OECD SIDS
HIGHER OLEFINS
FOREWORD
INTRODUCTION
HIGHER OLEFINS - CATEGORY
CAS N°:
HEXENE:
25264-93-1
HEPTENE:
25339-56-4
OCTENE:
25377-83-7
NONENE:
27215-95-8
DECENE:
25339-53-1
DODECENE:
25378-22-7
ALKENES C10-13: 85535-87-1
1-HEXADECENE: 629-73-2
1-OCTADECENE: 112-88-9
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OECD SIDS
HIGHER OLEFINS
SIDS Initial Assessment Report
For
SIAM 19
Berlin, Germany, 19-21 October 2004
1. Chemical Name:
Higher Olefins - Category
2. CAS Number:
hexene 25264-93-1; heptene 25339-56-4; octene 25377-83-7;
nonene 27215-95-8; decene 25339-53-1;dodecene 25378-22-7;
alkenes, C10-13 85535-87-1; 1-hexadecene 629-73-2;
1-octadecene 112-88-9
3. Sponsor Country:
United States of America
National SIDS Contact Point in Sponsor Country:
Mr. Oscar Hernandez, Director
U.S. Environmental Protection Agency
Risk Assessment Division (7403 M)
1200 Pennsylvania Avenue, NW
Washington DC 20460
Phone: (202) 564-7461
4. Shared Partnership with:
American Chemistry Council, Higher Olefins Panel
5. Roles/Responsibilities of
the Partners:
•
Name of industry sponsor
/consortium
American Chemistry Council
Doug Anderson, Higher Olefins Panel
1300 Wilson Boulevard
Arlington, VA 22209
Phone: (703) 741-5616
•
Process used
Robust Summaries drafted by Higher Olefins Panel industry
toxicologists. Dossiers and SIAR drafted by M. Machado,
Toxicology Consultant, 361 Duperu Drive, Crockett, CA 94525.
Documents reviewed by industry toxicologists and the United
States Environmental Protection Agency.
6. Sponsorship History
•
2
How was the chemical or
category brought into the
OECD HPV Chemicals
Programme?
The American Chemistry Council’s Higher Olefins Panel
submitted a test plan and robust summaries for the Higher
Olefins Category of chemicals to the U.S. Environmental
Protection Agency on 1 November 2001, under the International
Council of Chemical Associations (ICCA) Global Initiative on
High Production Volume (HPV) Chemicals Program.
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HIGHER OLEFINS
7. Review Process Prior to
the SIAM:
The American Chemistry Council’s Higher Olefins Panel and the
United States Environmental Protection Agency (EPA)
performed the work and review process undertaken for this
category. Members of the Higher Olefins Panel conducted a
comprehensive literature search. After a review of existing data
three studies were proposed in the test plan, an OECD 422 on a
C6 internal and branched, an OECD 421 on a C18 internal, linear
and branched and an OECD 211 on 1-decene. Documents were
prepared and reviewed by industry toxicologists prior to
submission to sponsor country. The Sponsor country conducted
reviews of submitted data and offered comments to industry.
EPA submitted documents to OECD for consideration at SIAM
19
8. Quality check process:
The quality of existing data was determined using guidance
provided in the Manual for Investigation of HPV Chemicals,
Chapter 3: Data Evaluation (OECD, 2002).
9. Date of Submission:
22-December 2003
10. Comments:
The Higher Olefins Category uses supporting data from the
Alpha Olefins Category that was approved at SIAM 11.
Additional supporting data from the US HPV Challenge Program
was also used. The Higher Olefins panel included surrogate data
from a mixed stream containing C20-24 linear and branched
internal olefins in the SIAR. While the panel realizes that
sufficient data exist to support the category without the data on
the C20-24, we believe these data provide additional support and
strengthen the hypothesis that changing carbon number, location
of the double bond or addition of branching does not alter the
mammalian health and biodegradation endpoints and helps to
indicate increasing or decreasing trends for ecotoxicity data.
The Panel attempted to conduct the chronic daphnia toxicity
study (OECD 211) using 1-dodecene. However, due to analytical
limitations and the lab’s inability to detect the material in
solution, we were unable to generate a reproducible dose
response. Therefore, 1-decene was used as the test material for
the chronic aquatic toxicity test. Data indicate that chronic
aquatic toxicity can be observed in C10 olefins (EC10 = 20.0
ug/L, EC50 = 28.1 ug/L, NOEC = 19.04 ug/L. Chronic toxicity
is not expected for C14 and higher molecular weight alpha or
internal olefins, whose water solubility limits are less than the
NOEC for 1-decene. Although category members C14 or greater
have log Kow values >4.0 and are not rapidly biodegradable,
they are of low environmental hazard. They show no acute
aquatic effects at their limit of solubility, and, because they are
poorly soluble, are not expected to exhibit chronic effects below
the NOEC of 1-decene.
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OECD SIDS
HIGHER OLEFINS
SIDS INITIAL ASSESSMENT PROFILE
25264-93-1
25339-56-4
25377-83-7
27215-95-8
25339-53-1
25378-22-7
85535-87-1
629-73-2
112-88-9
[in the same order shown above for CAS Nos.]
hexene
heptene
octene
nonene
decene
dodecene
alkenes, C10-13
1-hexadecene
1-octadecene
[in the same order shown above for CAS Nos.]
CAS Nos.
Chemical Names
CH3-CH=CH-(CH2)2-CH3a
CH3-CH=CH-(CH2)3-CH3a
CH3-CH=CH-(CH2)4-CH3a
CH3-CH=CH-(CH2)5-CH3a
CH3-CH=CH-(CH2)6-CH3a
CH3-CH=CH-(CH2)8-CH3a
CH3-CH=CH-(CH2)x-CH3a (x = 6-9)
CH3-(CH2)13-CH=CH3
CH3-(CH2)15-CH=CH3
Structural Formula
a
Basic structure; position of internal double bond varies and some isomers may be
branched
SUMMARY CONCLUSIONS OF THE SIAR
Category/Analogue Rationale
This profile includes an evaluation of SIDS-level testing data, using a category approach, with six individual internal
olefins (C6 – C10 and C12), a C10 – 13 internal olefins blend and two linear alpha olefins (1-hexadecene and 1octadecene), all of which are mono-olefins. The internal olefins are predominantly linear, but may contain small
amounts of branched materials. For the purposes of the OECD HPV Chemicals Programme, the category was defined
as “Higher Olefins.” The category designation was based on the belief that internalizing the location of the carboncarbon double bond, increasing the length of the carbon chain, and/or changing the carbon skeleton’s structure from
linear to branched does not change the toxicity profile, or changes the profile in a consistent pattern from lower to
higher carbon numbers. While the category is actually defined as C6 – C18 mono-olefins (sponsored chemicals), we
included surrogate data from a mixed stream containing C20-C24 linear and branched internal olefins. While we realize
that sufficient data exist to support the category without the data on the C20-C24, we believe these data provide
additional support and strengthen the hypothesis that changing carbon number, location of the double bond or
addition of branching does not alter the mammalian health and biodegradation endpoints and helps to indicate
increasing or decreasing trends for ecotoxicity data.
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OECD SIDS
HIGHER OLEFINS
Human Health
Olefins (alkenes) ranging in carbon number from C6 to C24, alpha (linear) and internal (linear and branched)
demonstrate low acute toxicity by the oral, inhalation and dermal routes of exposure: Rat oral LD50 >5 g/kg; rat 4-hr
inhalation LC50 range = 110 mg/L (32,000 ppm) to 6.4 mg/L (693 ppm) for C6 to C16; and rat/rabbit dermal LD50 >
highest doses tested (1.43 - 10 g/kg).
Repeated-dose studies, using the inhalation (C6 alpha), dermal (C12-C16), or oral (C6 alpha and internal
linear/branched; C8 and C14 alpha; and C16, C18 and C20-C24 internal linear/branched) routes of exposure, have shown
comparable levels of low toxicity in rats. In females, alterations in body and organ weights, changes in certain
clinical chemistry/hematology values, and liver effects were noted (NOELs of ≥ 100 mg/kg oral or ≥ 3.44 mg/L
(1000 ppm) inhalation). In males, alterations in organ weights, changes in certain clinical chemistry/hematology
values, liver effects, and male rat-specific kidney damage that is likely associated with the alpha 2 - globulin protein
were noted (LOELs ≥ 100 mg/kg oral only). The male rat kidney damage was seen in oral studies with C6, C8 and
C14 linear alpha olefins and C6 internal branched olefins, but was not seen in studies with C16/C18 or C20 - C24 internal
linear/branched olefins. The noted liver effects were seen in oral studies with C14 alpha olefins (minimal-to-mild
hepatocyte cytoplasmic vacuolation with increased liver weight in males and females) and with C20-C24 internal
olefins (minimal centrilobular hepatocyte hypertrophy with increased liver weight in females only). No effects were
present in the study with C20-C24 internal olefins following a 4-week recovery period, indicating reversibility of the
observed effects. These liver effects seen only with the larger molecules may be indirect effects of an intensified liver
burden, rather than a direct toxic effect of the olefin. Based on evidence from neurotoxicity screens included in
repeated dose studies with C6 and C14 alpha olefins and with C6 , C16/C18 and C20-C24 internal linear/branched olefins,
the category members are not neurotoxic.
Based on evidence from reproductive/developmental toxicity screens in rats with C6 and C14 alpha olefins and C6 and
C18 linear/branched internal olefins, along with the findings of no biologically significant effects on male or female
reproductive organs in repeated dose toxicity studies, the category members are not expected to cause reproductive or
developmental toxicity.
Based on the weight of evidence from studies with alpha and internal olefins, category members are not genotoxic.
No carcinogenicity tests have been conducted on C6 – C18 alpha or internal olefins; however, there are no structural
alerts indicating a potential for carcinogenicity in humans.
These materials are not eye irritants or skin sensitizers. Prolonged exposure of the skin for many hours may cause
skin irritation. The weight of evidence indicates alpha and internal olefins with carbon numbers between C6 and C24
have a similar and low level of mammalian toxicity, and the toxicity profile is not affected by changes in the location
of the double bond or the addition of branching to the structure.
Environment
The potential for exposure of aquatic organisms to members of the Higher Olefins Category will be influenced by
their physico-chemical properties. The predicted or measured water solubilities of these olefins range from 50 mg/L
at 20°C for hexene to 0.00015 mg/L at 25°C for 1-octadecene, which suggests there is a lower potential for the larger
olefins to be bioavailable to aquatic organisms due to their low solubilities. Their vapor pressures range from 230.6
hPa at 25°C for hexene to 0.00009 hPa at 25°C for 1-octadecene, which suggests the shorter chain olefins will tend
to partition to the air at a significant rate and not remain in the other environmental compartments for long periods
of time; while the longer chain olefins will tend to partition primarily to water, soil or sediment, depending on water
solubility and sorption behaviour. The soil adsorption coefficients (Koc) range from 149 for C6 to 230,800 for C18,
indicating increasing partitioning to soil/sediment with increasing carbon number. Level I fugacity modeling
predicts that the C6-C13 olefins would partition primarily to air, while the C16-C18 olefins would partition primarily to
soil. Results of Level III fugacity modelling suggest that the C6 – C8 category members will partition primarily to the
water compartment; and, as the chain length increases beyond C10, soil and sediment become the primary
compartments. These chemicals have a very low potential to hydrolyze and do not photodegrade directly. However,
in the air, all members of the category are subject to atmospheric oxidation from hydroxyl radical attack, with
calculated degradation half-lives of 1.8 to 4.1 hours. C6 – C18 olefins have been shown to degrade to an extent of
approximately 8-81% in standard 28-day biodegradation tests. These results were not clearly correlated with carbon
number or any other identifiable parameter; however, the weight of evidence shows that the members of the Higher
Olefins Category have potential for degradation in the environment. Volatilization from water is predicted to occur
rapidly (hours to days), with Henry’s Law Constants (bond method) ranging from 0.423 (C6) to 10.7 (C18) atm
m3/mol. Consideration of these degradation processes supports the assessment that these substances will degrade
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OECD SIDS
HIGHER OLEFINS
relatively rapidly in the environment and not persist. Based on calculated bioconcentration factors, the C6, C7, C16
and C18 category members are not expected to bioaccumulate (BCF = 46, 236, 71 and 3). Although the C8 – C13
olefins have BCFs ranging from 659 to 748, and Kow values ranging from 4.13 to 6.59, and thus are considered to
have the potential for bioaccumulation, their physico-chemical properties and fate indicate that there would be
limited environmental exposure because of volatility, biodegradability and limited solubility.
Data indicate that acute aquatic toxicity can be observed for C6 through the C10 olefins (C6: EC/LC50 range of 1-10
mg/L; C7-C10: EC/LC50 range of 0.1-1.0 mg/L), and that toxicity increases with increasing carbon number within that
range, which is consistent with increasing Kow values (3.07 – 5.07). Above a chain length of 10, toxicity is not
observed within the limits of solubility. However, data indicate that chronic aquatic toxicity can be observed in the
C10 olefins (EC10 = 20.0 µg/L, EC50 = 28.1 µg/L, NOEC = 19.04 µg/L). Data also suggest that aquatic toxicity does
not differ with bond location or presence of branching.
Exposure
The following U.S. production volumes for 2002 were reported for members of the Higher Olefins Category: 1-10
million pounds for hexene and dodecene, 10-50 million pounds for decene and C10-C13 alkenes, 50-100 million
pounds for heptene and octene, and 100-200 million pounds for 1-hexadecene and 1-octadecene. Members of the
Higher Olefins Category are produced commercially in closed systems and are used primarily as intermediates in the
production of other chemicals (including polymers, fatty acids, mercaptans, plasticizer alcohols, detergents,
surfactants, additives for lubricants, amine oxides and amines, detergent alcohols and nonionics, and hydraulic fluids
and additives). C16 and C18 olefins are blended with other chemicals for use as drilling fluids for off-shore oil
exploration. Non-occupational human exposure is not expected. Any occupational exposures that do occur are most
likely by the inhalation and dermal routes. Results from modeled data suggest that on-site waste treatment processes
are expected to remove these compounds from aqueous waste streams to the extent that they will not be readily
detectable in effluent discharge. The olefins will not persist in the environment because they can be rapidly degraded
through biotic and abiotic processes.
RECOMMENDATION AND RATIONALE FOR THE RECOMMENDATION AND
NATURE OF FURTHER WORK RECOMMENDED
The chemicals in this category are currently of low priority for further work. These chemicals possess properties
indicating hazards to human health (reversible mild skin and eye irritation; mild respiratory tract irritation to the
lower chain length members) and the environment (acute aquatic toxicity for the C6-C10 category members and
chronic aquatic toxicity for C10). Based on exposure data presented by the sponsor country, (four manufacturing
sites within the sponsor country which accounts for 47-64% of global production depending on category member)
and relating to use pattern in the sponsor country (industrial intermediate in closed systems) this category is a low
priority for further work. Countries may wish to investigate any exposure scenarios that were not presented by the
sponsor country.
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OECD SIDS
HIGHER OLEFINS
SIDS Initial Assessment Report
1
IDENTITY
1.1
Identification of the Substance
The Higher Olefins Category consists of 9 members: C6, C7, C8, C9, C10, C12 and C10-13 internal
olefins and C16 and C18 linear alpha olefins. The internal olefins are predominantly linear, but may
contain a small amount of branched material as impurities. The members of the category are
presented in Table 1.
Table 1
Identity of members of the Higher Olefins Category
Chemical Name
CAS
Number
Synonym
Molecular
Formula
Structural Formula
HEXENE
25264-93-1
Hexene, Isomers
Hexylene
Hexenes
C6H12
CH3-CH=CH-(CH2)2-CH3a
HEPTENE
25339-56-4
Heptene, Isomers
Heptylene
Heptenes
C7H14
CH3-CH=CH-(CH2)3-CH3a
OCTENE
25377-83-7
Octene, Isomers
Octylene
Octenes
C8H16
CH3-CH=CH-(CH2)4-CH3a
NONENE
27215-95-8
Nonene
Propylene trimer
Tripropylene
C9H18
CH3-CH=CH-(CH2)5-CH3a
DECENE
25339-53-1
Decene, Isomers
Decylene
Decenes
C10H20
CH3-CH=CH-(CH2)6-CH3a
DODECENE
25378-22-7
Dodecene, Isomers
Dodecylene
Dodecenes
C12H24
CH3-CH=CH-(CH2)8-CH3a
ALKENES, C10-13
85535-87-1
n-olefins C10-13
C10H20
C11H22
C12H24
C13H26
CH3-CH=CH-(CH2)6-CH3a
CH3-CH=CH-(CH2)7-CH3a
CH3-CH=CH-(CH2)8-CH3a
CH3-CH=CH-(CH2)9-CH3a
1-HEXADECENE
629-73-2
1-n-Hexadecene
Hexadecylene-1
alpha-Hexadecene
alpha-Hexadecylene
1-Cetene
Cetylene
C16H32
CH3-(CH2)13-CH=CH3
1-OCTADECENE
112-88-9
1-n-Octadecene
Octadecylene-1
alpha-Octadecene
alpha-Octadecylene
n-Octadec-1-ene
C18H36
CH3-(CH2)15-CH=CH3
a
Basic structure; position of internal double bond varies and some isomers may be branched
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OECD SIDS
1.2
HIGHER OLEFINS
Purity/Impurities/Additives
With the exception of decene, the C6-C12 internal olefins included in this category are usually
manufactured and marketed as components of predominantly linear alkene blends, with small
amounts of branched isomers, alpha olefins and/or alkanes of similar chain lengths as impurities.
The C6-C8 internal olefin blend has been reported as comprising 1.9% C5, 43.3% C6, 21.7% C7,
31.7% C8, 1.4% C9. Decene, when it is marketed as an individual alkene product, is predominantly
linear and has a purity of >94% with ≤5% C9 and lower olefins and ≤3% C11and higher olefins as
impurities. The C10-13 internal olefin blend typically contains <0.1% C9 or lower, 11.2% C10,
29.6% C11, 25.9% C12, 23.6% C13, 9.5% C14 and 0.1 % >C14; with 4.2% N-paraffins and 4.6%
dienes as impurities. Purities for 1-hexadecene have been reported by manufacturers as 92% and
80-98% with higher and lower chain length olefins as impurities. Purities for 1-octadecene have
been reported by manufacturers as 90.6%, >91% and 80-98%, with higher and lower chain length
olefins as impurities.
1.3
Physico-Chemical properties
Table 2
Chemical
Name
Summary of physico-chemical properties for members of the Higher Olefins
Categorya,b
Melting
Point (0C)
HEXENE
HEXENE
-98 (m)
Boiling Point
(0C)
Vapour Pressure
Density/
Relative
Density
Partition
Coefficient
(Log Kow)
Water
Solubility
(mg/L)
65 at 1013 hPa
[hexene - mix
of isomers]
(m)
230.6 hPa at 25°C
(m and c)
0.68-0.69
g/cm3 at
20°C
[2-hexene]
3.07 (c)
50 at 20°C
(m)
74.66 hPa at 25°C
(c)
79.05 hPa at 25°C
[1-heptene] (m)
ca. 700 k
g/m3 at
20°C
[C6 –C8
internal
olefin]
3.64 (c)
3.99
[1-heptene]
(m)
13.45 at
25°C (c)
18.2 at
25°C [1heptene]
(m)
22 hPa at 25°C
(c)
0.72 g/cm3
at 20°C
[2-octene]
4.13 (c)
3.65 at
25°C (c)
66.4 – 68.8
[2-hexene,
3-hexene] (m)
HEPTENE
-82.42 (c)
-119.7 °C
[1-heptene
] (m)
OCTENE
-109 (m)
94.35 at 1013
hPa (c)
93.6 at 1013
hPa
[1-heptene]
(m)
123 at 1013
hPa (m)
23.2 hPa at 25°C
[1-octene] (m)
NONENE
-56.70 (c)
-81.3
[1-nonene)
(m)
8
149.53 at 1013
hPa (c)
5.00 hPa at 25°C
(m)
135 – 140 at
1013 hPa (m)
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0.74 g/cm3
at 20°C
3.39 at
25°C [1hexene]
(m)
4.57
[1-octene]
(m)
4.55 (c)
4.1 at 25°C
[1-octene]
(m)
3.619 at
25°C (c)
OECD SIDS
HIGHER OLEFINS
Chemical
Name
Melting
Point (0C)
Boiling Point
(0C)
Vapour Pressure
Density/
Relative
Density
Partition
Coefficient
(Log Kow)
Water
Solubility
(mg/L)
DECENE
-45.48 (c)
170 at 1013
hPa (m)
1.33 hPa at 14.7°C
(m)
0.74 g/cm3
at 20°C
5.12 (c)
0.3288 at
25°C (c)
5.7 [1decene]
(m)
0.57 at
25°C [1decene],
-66.3 [1decene]
(m)
2.79 hPa at 25°C
(c)
2.23 hPa at 25°C
[1-decene] (m)
0.210 at
25°C [1decene]
(m)
DODECENE
-35.2 (m)
213 .8 at 1013
hPa (m)
0.356 hPa at 25°C
(c)
0.212 hPa at 25°C
[1-dodecene] (m)
0.77 at
20°C
(relative
density)
6.10 (c )
0.1245 at
25°C (c )
0.113 [1dodecene]
(c)
0.131 [2dodecene]
(c)
ALKENES,
C10-13
-45.5
[decene]
(c), -77
[undecene]
(m); -35.2
[dodecene]
(m),
-10.9
[tridecene]
(c);
-66.3 [1decene]
(m),
-13 [1tridecene]
(m)
170
[decene](m),
194
[undecene](m)
,
213.8
[dodecene](m)
,
224
[tridecene](c);
2.79 [decene],
0.9172
[undecene], 0.356
[dodecene],
0.13999[tridecene
] hPa at 25°C (c)
0.75 g/cm3
at 20°C
5.12
[decene],
5.53
[undecene]
, 6.10
[dodecene]
, 6.59
[tridecene]
(c)
0.3288
[decene],
0.4006
[undecene]
, 0.1245
[dodecene]
, 0.03674
[tridecene]
(c)
4.1 (m)
284.9 at 1013
hPa (m)
0.00352 hPa at
25°C (m)
0.79 at
15.6/15.6°
C (relative
density)
8.06 (c)
0.00144 at
25°C (c)
315 at 1013
hPa (m)
0.00009 hPa at
25°C (m)
0.00085 – 0.0013
hPa at 25 (c)*
0.79 at
15.6/15.6°
C
(relative
density)
>8 (m )
0.0001508
at 25°C (c
)
1-HEXADECENE
1-OCTADECENE
18.3 (m)
a
b
233 [1tridecene] (m)
All at 1013.25
hPa (m)
2.23[1-decene],
0.212 [1dodecene], 0.0851
[1-tridecene] hPa
at 25°C (m)
9.04 (c)
Value is for category member unless otherwise noted.
Calculated (c), Measured (m) , *NOMO5 estimate using two measured values at higher temperature and
reduced boiling points
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HIGHER OLEFINS
The members of the category are colorless liquids. Vapor pressure and water solubility decrease
with increasing chain length, while melting point, boiling point, and octanol:water partition
coefficients increase with increasing chain length. The characteristic feature of the alkene structure
is the C=C double bond. The characteristic reactions of an alkene are those that take place at the
double bond, the most typical being an electrophilic addition reaction.
1.4
Category Rationale
Due to similarities of the six individual internal olefins (C6-C10 and C12), a C10-C13 internal olefins
blend and two linear alpha olefins (1-hexadecene and 1-octadecene), all of which are mono-olefins,
a category approach was utilized to determine the test plan for these compounds. The internal
olefins are predominantly linear, but may contain small amounts of branched materials. For the
purposes of the OECD HPV Chemicals Programme, the category was defined as “Higher Olefins.”
The category designation was based on the belief that, within the C6 to C18 boundaries identified,
internalising the location of the carbon-carbon double bond, increasing the length of the carbon
chain, and/or changing the carbon skeleton’s structure from linear to branched does not change the
toxicity profile, or changes the profile in a consistent pattern from lower to higher carbon numbers.
This expectation is supported by a large amount of existing data for alpha and internal olefins with
carbon numbers ranging from C6 to C24, including data from the OECD SIDS Alpha Olefins
Category (1-hexene, 1-decene, 1-dodecene, and 1-tetradecene), which was reviewed and approved
at SIAM 11. The category as defined is from C6 to C18 mono-olefins (sponsored chemicals) with
data from C20-C24 being used as supportive data. We included surrogate data from the mixed
stream containing C20-24 linear and branched internal olefins in the SIAR. While we realize that
sufficient data exist to support the category without the data on the C20-24, we believe these data
provide additional support and strengthen the hypothesis that changing carbon number, location of
the double bond or addition of branching does not alter the mammalian health and biodegradation
endpoints and helps to indicate increasing or decreasing trends for ecotoxicity data. The data
indicate an increasing or decreasing trend or pattern, from the shortest alpha or internal olefin in the
database (C6) to the longest alpha or internal olefin in the database (C30) for various physicochemical properties and ecotoxicity endpoints (using a mixture of experimental data and estimation
techniques), whereas there appears to be no critical difference across category members for
biodegradation and health endpoints. Therefore, the category approach is justified, and data for
linear alpha olefins and linear and branched internal olefins were used to characterize the human
and environmental health hazards for substances in the Higher Olefins Category. The data summary
matrix for members of the Higher Olefins Category is presented in Annex Table 3.
2
GENERAL INFORMATION ON EXPOSURE
This section provides available information on substances within the Higher Olefins Category
regarding production volume and use, environmental exposure and fate, and human exposure.
2.1
Production Volumes and Use Pattern
In1999, linear alpha olefins (C4-C30) (as provided by the reference does not delineate the C6-C18
linear olefins) global production was approximately 4.9 billion pounds (2.2 million metric tons)
with the United States accounting for almost 64% (SRI, 2000). In 2000, global production of
nonene was approximately 1,037 million pounds (470,000 metric tons) with the United States
accounting for almost 56%; and global production for dodecene was approximately 695 million
pounds (315,000 metric tons) with the United States accounting for 47% (SRI, 2001). There are
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four manufacturing sites in the United States that produce at least one of the members of this
category.
Table 3 below, provides a range of U.S. production volumes by substance, provided by the
members of the American Chemistry Council’s Higher Olefins Panel.
Table 3
U.S. production volume for members of the Higher Olefins Category
COMPOUND
CAS NUMBER
2002 U.S. PRODUCTION VOLUME
(Million Pounds)
Hexene (C6)
25264-93-1
1-10
Heptene (C7)
25339-56-4
50-100
Octene (C8)
25377-83-7
50-100
Nonene (C9)
27215-95-8
100-200
Decene (C10)
25339-53-1
10-50
Dodecene (C12)
25378-22-7
1-10
Alkenes, C10-C13
85535-87-1
10-50
1-hexadecene (C16)
629-73-2
100-200
1-octadecene (C18)
112-88-9
100-200
There are three main ethylene oligomerization processes currently in use. One process uses a single
stage for chain growth and displacement reactions, another uses two separate steps for chain growth
and displacement and a third uses a more complex process involving isomerizationdisproportionation. Members of the Higher Olefins Category are produced commercially in closed
systems and are used primarily as intermediates in the production of other chemicals (including
polymers, fatty acids, mercaptans, plasticizer alcohols, surfactants, additives for lubricants, amine
oxides and amines, detergent alcohols and nonionics, and hydraulic fluids and additives). C16 and
C18 olefins are blended with other chemicals for use as drilling fluids for off-shore oil exploration.
No other non-intermediate applications have been identified.Table 4 provides typical uses by chain
length (SRI, 2000; American Chemistry Council, Higher Olefins Panel, 2002).
Table 4
Typical uses of substances in the Higher Olefins Category
CHAIN
LENGTH
APPLICATION
C4-C8
Intermediates in the production of polymers and polyethylene
C6-C8
Intermediates in the production of low-molecular weight fatty acids and
mercaptans
C6-C10
Intermediates in the production of plasticizer alcohols and surfactants
C10-C12
Intermediates in the production of polyalphaolefins and other additives for
lubricants, detergent alcohols, amine oxides and amines
C10-C16
Intermediates in the production of detergent alcohols and nonionics
C16-C18
Intermediates in the production of lube oil additives, surfactants, hydraulic fluids
and additives; direct components of drilling fluids for off-shore oil exploration
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2.2
Environmental Exposure and Fate
2.2.1
Sources of Environmental Exposure
The members of the Higher Olefins Category are produced commercially in closed systems and are
used primarily as intermediates in the production of other chemicals (including polymers). C16 and
C18 olefins are blended with other chemicals for use as drilling fluids for off-shore oil exploration.
Results from modelled data suggest that on-site waste treatment processes are expected to remove
these compounds from aqueous waste streams to the extent that they will not be readily detectable
in effluent discharge (EPIWIN, 2000a). None of the compounds within the category are on the US
Toxic Release Inventory (TRI) list (NLM, 2003a). The olefins will not persist in the environment
because they can be rapidly degraded through biotic and abiotic processes.
2.2.2
Photodegradation
2.2.2.1 Photodegradation – Direct Photolysis
Direct photochemical degradation occurs through the absorbance of solar radiation by a chemical
substance. If the absorbed energy is high enough, then the resultant excited state of the chemical
may undergo a transformation. The stratospheric ozone layer prevents UV light of less than 290 nm
from reaching the earth’s surface. Light at wavelengths longer than 750 nm does not contain
sufficient energy to break chemical bonds. Therefore, only light at wavelengths between 290 and
750 nm can result in photochemical transformations in the environment (Harris, 1982a). Olefins
with one double bond, such as members of this category, do not absorb appreciable light energy
above 290 nm (Harris, 1982a). Thus, direct photolysis will not significantly contribute to the
degradation of chemicals in the Higher Olefins Category.
2.2.2.2 Photodegradation – Indirect Photolysis (Atmospheric Oxidation)
Indirect photodegradation can be measured (US EPA, 1999a; OECD test guideline 113) or
estimated using models (US EPA, 1999b). An estimation method includes the calculation of
atmospheric oxidation potential (AOP). Atmospheric oxidation is a result of hydroxyl radical attack
and is not direct photochemical degradation, but rather indirect degradation. AOPs can be
calculated using a computer model. Hydrocarbons, such as the chemicals in this category, readily
volatilize to air. In air, chemicals may undergo reaction with photosensitized oxygen in the form of
ozone and hydroxyl radicals. The computer program AOPWIN (atmospheric oxidation program for
Microsoft Windows) (EPIWIN, 2000a) calculates a chemical half-life based on an overall hydroxyl
radical (OH) reaction rate constant, a 12-hr day, and a given OH concentration (average global
concentration of 1.5 × 106 OH/cm3). It also estimates the rate constant for the gas-phase reaction
between ozone and olefinic compounds. Estimated photodegradation hydroxyl radical and ozone
reaction rate constants for the substances in the category are in close agreement across the category.
In the air, all members of the category are subject to atmospheric oxidation from hydroxyl radical
attack, with calculated degradation half-lives of 1.8 to 4.1 hours (see Annex, Table 1), which
suggests that, once volatilized to the air, these chemicals will degrade rapidly.
2.2.3
Stability in Water
Hydrolysis of an organic molecule occurs when a molecule (R-X) reacts with water (H2O) to form a
new carbon-oxygen bond after the carbon-X bond is cleaved (Gould, 1959; Harris, 1982b).
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Mechanistically, this reaction is referred to as a nucleophilic substitution reaction, where X is the
leaving group being replaced by the incoming nucleophilic oxygen from the water molecule.
The leaving group, X, must be a molecule other than carbon because for hydrolysis to occur, the RX bond cannot be a carbon-carbon bond. The carbon atom lacks sufficient electronegativity to be a
good leaving group and carbon-carbon bonds are too stable (high bond energy) to be cleaved by
nucleophilic substitution. Thus, hydrocarbons, including alkenes, are not subject to hydrolysis
(Harris, 1982b) and this fate process will not contribute to the degradative loss of chemical
components in this category from the environment.
Under strongly acidic conditions, the carbon-carbon double bond found in alkenes, such as those in
the Higher Olefins Category, will react with water by an addition reaction mechanism (Gould,
1959). The reaction product is an alcohol. This reaction is not considered to be hydrolysis because
the carbon-carbon linkage is not cleaved and because the reaction is freely reversible (Harris,
1982b). Substances that have a potential to hydrolyze include alkyl halides, amides, carbamates,
carboxylic acid esters and lactones, epoxides, phosphate esters, and sulfonic acid esters (Neely,
1985).
The substances in the Higher Olefins Category are primarily olefins that contain one double bond
(alkenes). Small amounts of saturated hydrocarbons (alkanes) are found in category members, as
impurities. These two groups of chemicals contain only carbon and hydrogen. As such, their
molecular structure is not subject to the hydrolytic mechanism discussed above. Therefore,
chemicals in the Higher Olefins Category have a very low potential to hydrolyse, and this
degradative process will not contribute to their removal in the environment.
2.2.4
Transport between Environmental Compartments
The vapour pressures of the members of the Higher Olefins Category range from 230.6 hPa at 25°C
for hexene to 0.00009 hPa at 25°C for 1-octadecene, which suggests the shorter chain olefins will
tend to partition to the air at a significant rate and not remain in the other environmental
compartments for long periods of time; while the longer chain olefins will tend to partition
primarily to water, soil or sediment, depending on water solubility and sorption behavior.
Volatilization from water is predicted to occur rapidly (hours to days), with Henry’s Law Constants
(bond method) ranging from 0.423 (C6) to 10.7 (C18) atm m3/mol. The soil adsorption coefficients
(Koc) range from 149 for C6 to 230,800 for C18, indicating increasing partitioning to soil/sediment
with increasing carbon number.
Fugacity based multimedia modelling can provide basic information on the relative distribution of
chemicals between selected environmental compartments (i.e., air, soil, sediment, suspended
sediment, water, biota). Widely used fugacity models are the EQC (Equilibrium Criterion) Level I
model (Mackay et al., 1996b; Trent University, 2004) and the Mackay Level III fugacity model
(Mackay, 1991; Mackay et al., 1996a, 1996b; Trent University, 2004).
The input data required to run a Level I model include basic physico-chemical parameters;
distribution is calculated as percent of chemical partitioned to 6 compartments (air, soil, water,
suspended sediment, sediment, biota) within a unit world. Level I data are basic partitioning data
that allow for comparisons between chemicals and indicate the compartment(s) to which a chemical
is likely to partition. The EQC Level I is a steady state, equilibrium model that utilizes the input of
basic chemical properties including molecular weight, vapour pressure, and water solubility to
calculate distribution within a standardized regional environment. This model (Trent University,
2004) was used, with input values taken from Table 2, to calculate distribution values for
substances in the Higher Olefins Category. Results from Level I modelling are shown in Annex,
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Table 1. Level I modelling predicts that the C6-C13 olefins would partition primarily to air, while the
C16-C18 olefins would partition primarily to soil.
A Level III fugacity model (Trent University, 2004) was also used to calculate distribution values
for the members of the Higher Olefins Category. A Level III fugacity model calculates the
distribution of a chemical under steady state, non-equilibrium conditions; and can show the percent
distribution and estimates of chemical concentrations in each of the six environmental
compartments cited in the Level I discussion above. In comparison to a Level I model, the Level III
calculations consider degradation, advection, and intermedia transport processes. Results of the
Level III fugacity analysis are sensitive to the relative amounts of the emissions data used in the
model calculations. Emissions rate data are needed for the air, water and soil compartments. If
emissions data are not available for a chemical, the model uses default emissions, which are 1000
kg/hr each into air, water, and soil; and 0 kg/hr into sediment. These default values and physicochemical property values from Table 2 were used in the model calculations for the members of the
Higher Olefins Category. Percent distribution results for the Higher Olefins category are presented
in Annex, Table 1.
Results of the Level III modelling for members of the Higher Olefins Category suggest that the
water compartment is the primary environmental compartment to which C6-C8 internal olefins will
partition. As the chain length increases beyond C10, soil and sediment become the primary
compartments, followed by water and then air. The prediction that the higher molecular weight
olefins will partition to soil/sediment is a consequence of their high organic/carbon partition
coefficients (Koc) (see Annex, Table 1). This can be attributed to the olefins having a high tendency
to bind to particulate matter in the water column, thus binding more to soil and sediment. The
larger the olefins are in chain length, the less persistent they are in the atmosphere and water.
However, in soil and sediment the olefins increase in persistence with increasing chain length. As
biodegradation results (Table 5) indicate that there is no real trend of decreasing biodegradation as
the chain length increases, the decreased percentages found in the solid phases are likely due more
to increasing sorption and reduced leaching and volatilisation.
The fact that results of Level I and Level III fugacity models differ is not unexpected because of the
different assumptions made in the models. Level I models evaluate the relative environmental
distribution at equilibrium or steady state. Level III models reflect equilibrium partitioning but also
the loading factors, modelled as continuous releases to all media. The Level III model used default
values for releases that are relatively large. Consequently, the quantities in the Model III
compartments do not reflect equilibrium conditions as much as the continuous input values.
Swann et al. (1983) reported that a chemical with a Koc value between 150 and 500 would move
through the soil at a moderate rate. This rate slows between 500 and 2,000. Chemicals with Koc
values between 2,000 and 5,000 can be considered to have practically no mobility, and may be
considered immobile at values greater than 5,000. The estimated (EPIWIN, 2000b) Koc data
(Annex,Table 1) show that the lower chain olefins have Koc values (149, 275, 507 for C6, C7 and C8,
respectively) which indicate a potential to migrate through a soil horizon to ground water at a
moderate rate. As the carbon number increases, the potential for these chemicals to migrate through
soil decreases to the degree that C12 and higher carbon number olefins (Koc values ≥5864) have only
a negligible, if any, potential for migration. These are general characterizations based on the Koc
values for these chemicals, which with increasing carbon number show that there is an increasing
tendency to sorb to organic matter. As the sorptive potential increases for a chemical, it will tend to
remain bound to organic matter rather than dissolve into water and migrate with the percolating
water.
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Actual migration through a soil horizon will be influenced by several physical characteristics of the
environment and chemical. One chemical characteristic that can significantly impact the relative
amounts of these chemicals that will remain available to migrate through soil is volatility. The C6C10 olefins have a vapor pressure of greater than 1 mmHg (1.33 hPa), suggesting that they will tend
to volatilize from surface soils at a relatively rapid rate. In comparison, the C12-C18 olefins have
vapor pressures less than 1 mmHg, suggesting that volatilization will have a lesser impact on their
loss from surface soils. As a result, the loss of the higher chain olefins from surface soils may be
influenced more by biodegradation because they have a lower potential to migrate and volatilize.
2.2.5
Biodegradation
Existing data for category members (C10-C13 internal olefins, 1-hexadecene and 1-octadecene) and
structural analogues of C6-C18 category members show that chemicals in the Higher Olefins
Category can biodegrade aerobically to a large extent within a few weeks. For some alkenes within
the C6 – C18 range (1-hexene, 1-decene, and 1-hexadecene), the data show that they fit the OECD
criteria for ready biodegradability (Table 5). The C6-C18 olefins have been shown to degrade to an
extent of approximately 8 to 81% in standard 28-day biodegradation tests. Although no
experimental results are available for C6 – C10 category members, results for studies with surrogate
chemicals suggest that the C6 – C10 category members would achieve degradation rates in the
general range of 20-70% within 28 days in a standard biodegradation test.
While, in total, biodegradation tests indicate the category is biodegradable and thus non persistent,
the data vary over a wide range. Both structural features and test conditions can have an effect on
biodegradation results. Carbon number, location of the double bond (internal vs. alpha) and
branching are structural features that can affect biodegradability. Inoculum source and
concentration, substrate concentration, and use of dispersants to enhance solubility of poorly
soluble compounds are examples of test conditions potentially affecting biodegradation results.
Based on Henry’s law constant values, most of the category members are expected to be fairly
volatile. It is not clear from the available information that precautions were taken in all studies to
prevent loss of substrate through volatilisation. Thus, volatile losses may have contributed to the
observed variability.
As far as structural features, carbon number would be expected to play a role in biodegradation
from both solubility/bioavailability and steric effects. There is no clear correlation between carbon
number and degree of biodegradation for alpha olefins. The internal olefins may exhibit increasing
biodegradation with increasing carbon number, up to C24 (compare the C20-C24 with the C6-C12
results in Table 5). Overall, the data suggest double bond location to be more important than carbon
number. Theoretically, the branched olefins might be expected to be less biodegradable. However,
the existing data do not support this supposition. Testing in an OECD 301B test with a C20-C24
branched and linear material (>70% branched) resulted in 92% degradation in 28 days. Both
substrate and benzoate showed unusually high percent biodegradation (92 and nearly 100 %,
respectively), suggesting some bias in the test. However, since both substrate and benzoate were
biased the same way, the test still supports ready biodegradability of the substrate.
Location of the double bond in the alpha versus an internal position appears to play a role in
biodegradability. The C6-C12 internal olefins have a lower percentage biodegradation while the
higher carbon numbered internal olefins have, generally, a greater percent biodegradation (Table 5).
Alpha olefin biodegradation appears to be insensitive to carbon number across the range tested.
One literature source of general olefin biodegradability information makes a statement that the
alpha olefins are favoured over internal olefins (Pitter and Chudoba, 1990). This publication
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tabulates BOD/ThOD (Theoretical Oxygen Demand) data for example olefins, but the data do not
support the text’s statement since all the ratios fall in the same range.
A variety of OECD and ISO methods were used in the testing. The lower C6-C14 internal olefins
were tested with 301F, while the C16 and greater were tested by other methods. All are acceptable
methods, but this variety could account for some of the variability in the results. However, review
of the test conditions, as summarized in the robust summaries, does not highlight any systematic
effects. The poor solubility of C8 and higher olefins make bioavailability a potential factor if the
mass transfer effects impede biodegradation rates. However, most test conditions used either steady
agitation or some form of dispersing medium to enhance solubilization during the test period. As
far as test method effects are concerned, the source of inoculum is probably the greatest, and least
controllable, source of variation.
Additional estimates of aerobic biodegradability of the members of the Higher Olefins Category
were obtained using BIOWIN (versions 4.00 and 4.01), a subroutine of the computer program
EPIWIN (EPIWIN, 2000a,b). The BIOWIN estimations are consistent across carbon numbers and
show “fast” biodegradation with primary degradation predicted to occur in days for all members of
the category. “Ultimate biodegradation” was predicted to occur in “days to weeks” for C6 and C7
olefins, and in “weeks” for C8 to C18 olefins.
Conclusions
The weight of evidence shows that members of the Higher Olefins Category have the potential
for degradation in the environment.
Bond location appears to play a role in biodegradability, with alpha olefins showing higher
degradability than internal olefins; however, available data are not clearly correlated with
carbon number or any other identifiable parameter.
Test protocols vary, but no systematic bias in results can be observed from the data presented.
Inadequately controlled loss of substrate through volatilisation may have contributed to the
observed variability.
•
•
•
Table 5
Summary of ready biodegradability tests for members of the Higher Olefins
Category (shaded rows) and surrogate chemicals (C6 – C30 alkenes) a
Chemical Substance
Alpha/Internal
(AO/IO)
Method
Biodegradation at
28 Days (%)
Pass (P)/Fail
(F) for Ready
Biodegradation
CAS No. 592-41-6, 1-Hexene
AO
301C O2
77
Pd
CAS No. 592-41-6, 1-Hexene
AO
Closed Sturm CO2
22
F
CAS No. 68526-52-3 Alkenes,
C6
IO
301F O2
21
F
CAS No. 68526-54-5; Alkenes,
C7-9, C8 Rich
IO
301F O2
29
F
CAS No. 68526-56-7; Alkenes,
C9-11, C10 Rich
IO
301F O2
21
F
CAS No. 872-05-9, 1-Decene
AO
301F O2
81
Pc
CAS No. 68526-58-9, Alkenes,
C11-13, C12 rich [C11-13]
IO
301F O2
23
F
CAS No. 68526-58-9, Alkenes,
C11-13, C13 rich [C12-14]
IO
301F O2
8
F
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Chemical Substance
Alpha/Internal
(AO/IO)
Method
Biodegradation at
28 Days (%)
Pass (P)/Fail
(F) for Ready
Biodegradation
CAS No. 85535-87-1, Alkenes
C10-13b
IO
301D O2
65-70
Fe
CAS No. 85535-87-1, Alkenes
C10-13b
IO
301D O2
60-67
Fe
CAS No. 1120-36-1,
1-Tetradecene
AO
301D O2
62-65
Fe
CAS No. 1120-36-1,
1-Tetradecene
AO
301B CO2
48-56
F
CAS No. 629-73-2,
1-Hexadecene b
AO
301C O2
55-77 (mean = 68)
Pd
CAS No. 112-88-9,
1-Octadecene b
AO
301D O2
39-48
F
CAS No. 112-88-9,
1-Octadecene b
AO
301B CO2
77-81
Ff
CAS No. 26952-14-7,
Hexadecene; CAS No. 2707058-2, Octadecene
IO
ISO Marine BODIS
O2
48
F
CAS Nos. 182636-03-9,
182636-04-0, and 182636-05-1;
C20-24 Alkenes, branched and
linear
IO
301B CO2
92
Pc
CAS Nos. 182636-05-1;
182636-06-2, 182636-08-4;
C24-30 Alkenes, branched and
linear
IO
301B CO2
51
F
a
Study details and references are found in the robust summaries in the dossiers.
Member of Higher Olefins Category
c
Passed: Met criteria for “ready biodegradability” by achieving 60% degradation within the 10-day window.
d
Passed: This is a MITI Test and the 10-day window criterion does not apply.
e
Failed because it is not known whether 60% biodegradation was achieved within the 10-day window.
f
Failed because 60% biodegradation was not achieved within the 10-day window.
b
2.2.6
Bioaccumulation
Based on the model predictions of the BCF (bioconcentration factor) subroutine (version 2.14 or
2.15) of the computer program EPIWIN (version 3.10 or 3.11; EPIWIN, 2000a,b), the C6, C7, C16
and C18 Higher Olefins Category members are not expected to bioaccumulate. Although the C8-C13
olefins have BCF ranging from 659 to 748, and Kow values ranging from 4.13 to 6.59, and thus are
considered to have the potential for bioaccumulation, their physico-chemical properties and fate
indicate that there would be limited environmental exposure because of volatility, biodegradability
and limited solubility. The estimated BCFs are shown in Table 6.
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Table 6
BCF
Hexene
Heptene
Octene
Nonene
Decene
Dodecene
Alkenes,
C10-13
1-Hexadecene
1-Octadecene
46
236
659
632
489
313
489- 748
71
3
a
2.2.7
Calculated bioconcentration factors (BCF) for Higher Olefins Category
membersa
Calculation details and references are found in the robust summaries in the dossiers.
Other Information on Environmental Fate
No data available
2.3
Human Exposure
2.3.1
Occupational Exposure
No governmental occupational exposure standards are available for any of the compounds within
the category (ACGIH, 2003). However, one company reported an internal standard of 100 ppm for
hexene and octene (343, and 458 mg/m3 respectively). Members of the Higher Olefins Category
are produced commercially in closed systems and are used primarily as intermediates in the
production of other chemicals (to include polymers). C16 and C18 olefins are blended with other
chemicals for use as drilling fluids for off-shore oil exploration. Any occupational exposures that do
occur are most likely by the inhalation and dermal routes. Should these exposures occur, then the
potential for exposure via the inhalation route would decrease as the carbon number increases due
to the subsequent increase in boiling point and decrease in vapour pressure. Furthermore, it is a
common practice to use personal protective equipment. In the case of dermal exposures, protective
gloves would be worn due to the mildly irritating properties of this class of chemicals (ACC Higher
Olefins Panel, 2002).
2.3.2
Consumer Exposure
None of the compounds within the category were identified on the National Library of Medicine
Household Products Database (NLM, 2003b). The primary intended use of the chemicals in this
category is in the synthesis of other industrial chemicals. Therefore, consumer exposure is not
expected.
3
HUMAN HEALTH HAZARDS
3.1
Effects on Human Health
The exposure routes of concern for human health are considered to be dermal and inhalation. Data
presented in the SIAR are considered the key studies to describe the hazards of these compounds.
All other data may be found in each individual chemical’s respective dossier.
3.1.1
Toxicokinetics, Metabolism and Distribution
Studies with several alpha or internal olefins spanning the range from C6 to C16 indicate that
metabolism occurs in hepatic endoplasmic reticulum via initial formation of a transient epoxide,
which is further metabolized to the corresponding glycol or conjugated with glutathione (Watabe
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and Yamada, 1975; Maynert et al., 1970; Oesch, 1973; Watabe and Maynert, 1968). The latter two
metabolites are likely to be excreted in urine as mercapturic acids (Sipes and Gandolfi, 1991).
Effects seen in repeated-dose studies with C6, C8, and C14 alpha olefins and C6, C18 and C20-C24
internal olefins (see Section 3.1.5) indicate that these olefins are absorbed by the blood and reach
the liver and kidneys following oral or inhalation exposure. Studies of the toxicokinetic properties
of inhaled C2-C10 alpha olefins confirm that, within the carbon number range tested, absorption
occurs and that the alkenes accumulate in the brain, liver, kidneys and perirenal fat, with the
concentrations increasing with the number of carbon atoms (Eide et al., 1995; Zahlsen et al., 1993).
Studies in Animals
In vivo Studies
Absorption, distribution and elimination were studied in the rat after inhalation of individual C2-C8
1-alkenes at 300 ppm, 12 hr/day for 3 consecutive days (Eide et al., 1995). Concentrations of
olefins measured in blood, lung, brain, liver, kidney and perirenal fat reached steady state levels
after the first 12 hr of exposure, and concentrations 12 hr after the last exposure were generally low
(<3% of the concentrations immediately after exposure), except in the fat. Concentrations of 1alkenes in blood and tissues increased with increasing number of carbon atoms (see Table 7).
The toxicokinetic properties of C8-C10 1-alkenes were studied in the rat after inhalation of
individual alkenes at 100 ppm, 12 hr/day for 3 consecutive days (Zahlsen et al., 1993).
Concentrations of olefins were measured in blood, brain, liver, kidney and perirenal fat immediately
after each exposure and 12 hr after the third exposure. The 1-alkenes showed an efficient absorption
to blood combined with accumulation in organs, with the concentration increasing with number of
carbon atoms. After the 12-hour recovery period, very little 1-alkene was found in blood, brain,
liver or kidney; but the concentrations of C8, C9 and C10 1-alkenes in fat were 31, 46 and 66%,
respectively, of the concentrations on Day 3 (see Table 8).
Another in vivo experiment was conducted to determine whether the olefinic double bond is
implicated as a participant in the NADPH-dependent destructive interaction of olefins with the
P-450 enzyme (Ortiz de Montellano and Mico, 1980). Phenobarbital-treated rats were injected with
1-heptene, cis and trans 2-nonene, 4-ethyl-1-hexene, and 3-methyl-1-octene. Four hours after
treatment, the livers were analyzed for the presence of abnormal hepatic pigments. These pigments
have been shown to be porphyrins derived from the prosthetic heme moiety of inactivated P-450
enzymes. Hepatic green pigments were formed after administration of 4-ethyl-1-hexene, 3-methyl1-octene and 1-heptene. The cis- and trans-2-nonenes produced no abnormal pigments.
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Table 7
a
HIGHER OLEFINS
Concentrations of individual 1-alkenes after the third daily 12 hr inhalation
exposure of rats to 300 ppm and concentrations in fat 12 hr after the third
exposure (n=4) (Eide et al., 1995)a
Chemical
Blood
Liver
Lung
Brain
Kidneys
Fat
Fat 12 hr
after 3rd
exposure
Ethene
0.3
0.4
2.3
0.7
0.7
7
nd
Propene
1.1
0.3
2.9
1.7
1.8
36
nd
1-Butene
1.9
0.8
4.9
3.0
5.7
70
0.3
1-Pentene
8.6
51.6
31.4
41.0
105.7
368
19
1-Hexene
18.2
66.8
59.7
59.7
188.0
1031
77
1-Heptene
37.0
138.3
85.6
109.3
269.3
2598
293
1-Octene
60.1
443.7
202.4
270.0
385.1
4621
943
All concentrations are in µmol/kg; nd = not detectable (detection limits not provided)
Table 8
Concentrations of individual 1-alkenes after the third daily 12 hr inhalation
exposure of rats to 100 ppm and after 12 hr recovery (n=4) (Zahlsen et al.,
1993)a
1-Octene
1-Decene
After third
exposure
After 12 hr
recovery
After third
exposure
After 12 hr
recovery
After third
exposure
After 12 hr
recovery
Blood
12.4
0.1
15.9
0.4
16.4
0.7
Brain
69.7
0.5
116.3
2.7
138.1
6.3
Liver
78.9
nd
130.4
1.1
192.8
4.0
Kidney
139.3
0.9
146.7
4.6
162.0
9.3
720
226
2068
953
2986
1971
Fat
a
1-Nonene
All concentrations are in µmol/kg; nd = not detectable (limit of detection varied between substances and organs:
in blood and organs generally within range from 0.1 – 1 µmol/kg; in fat from 5 – 10 µmol/kg)
In vitro Studies
1-Hexene was tested in an in vitro system and was demonstrated to cause the autocatalytic
destruction of cytochrome P-450 and heme in hepatic microsomes from phenobarbital pretreated
rats (Shell Development Company, 1984).
In the presence of rat liver microsomes and NADPH, n-1-octene, n-4-octene and 3-ethyl-2-pentene
were converted to the glycols with no trace of epoxide (Maynert et al., 1970). The relative yields of
the glycols (11.3%, 4.0%, 0.12%) indicate that increasing substitution of the ethylenic moiety by
alkyl groups decreases the rate of the reaction. In the presence of the epoxide hydrolase inhibitor,
4,5-epoxy-n-octane, the product from 10 µmoles n-1-octene contained 1,2-epoxy-n-octane (0.40
µmoles) and n-octane-1, 2-diol (0.23 µmoles), whereas in the absence of the inhibitor, only the
glycol (0.64 µmoles) could be detected. In the presence of 1,2-epoxy-n-octane, the substrate n-4octene produced the epoxide but not the glycol. The authors concluded that it is likely that the
biological conversion of the alkenes proceeds through epoxides.
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1-Heptene, 2-nonene, 3-hexene, 4-ethyl-1-hexene, 3,3-dimethyl-1-hexene, 3-methyl-1-octene and
2-methyl-1-heptene were tested in an in vitro experiment in which hepatic microsomes from
phenobarbital-pretreated rats were incubated with NADPH and analyzed for the presence of
cytochrome P-450 (Ortiz de Montellano and Mico, 1980). Hepatic microsomal cytochrome P-450
was destroyed in vitro, in the presence of NADPH, by 4-ethyl-1-hexene, 3-methyl-1-octene, 2nonene and 1-heptene. The cis- and trans-2-nonenes exhibited marginal destructive activity (10%
loss after 30 minutes). No significant cytochrome P-450 loss was observed after incubation with 2methyl-1-heptene, 3,3-dimethyl-1-hexene or 3-hexene, suggesting that steric and electronic factors
can suppress the destructive interaction. The epoxides of 3 of the terminal olefin substrates were
synthesized and shown not to intervene in destruction of the enzyme by the parent olefins.
1-Hexadecene and an epoxide hydrolase inhibitor, 1,2-epoxydecane, were incubated with rabbit
liver microsomes and an extract was analyzed (Watabe and Yamada, 1975). The formation of the
epoxide (1,2-epoxyhexadecane) was observed only when the olefin was incubated in the presence
of the epoxide hydrolase inhibitor. In the absence of inhibitor, 1,2-dihydroxyhexadecane was
formed. The authors concluded these results indicate that 1-hexadecene is metabolized to 1,2dihydroxyhexadecane via 1,2-epoxyhexadecane.
Conclusion
Metabolism of Higher Olefins Category members occurs in hepatic endoplasmic reticulum via
initial formation of a transient epoxide, which is further metabolized to the corresponding glycol or
conjugated with glutathione. The latter two metabolites are expected to be excreted in urine as
mercapturic acids.
Following oral or inhalation exposure, category members are expected to be absorbed by the blood
and to accumulate in the brain, liver, kidneys and perirenal fat, with the concentration increasing
with the number of carbon atoms, at least through C10, the highest carbon number evaluated. The
increased retention in fat of alkenes with higher carbon numbers is presumably a function of their
increased lipophilicity, and decreased likelihood to be exhaled unchanged, compared to the lower
volatile alkenes. Since unchanged alkenes are not considered to be toxic, and because tissue levels
rapidly cleared after exposure ceased, this concentration, especially in fat tissues, is unlikely to have
any biological effect.
3.1.2
Acute Toxicity
Results of the acute studies, summarized in the Annex, Table 2, indicate that alkenes ranging in
carbon number from C6 to C24, alpha and internal, linear and branched, demonstrate low acute
toxicity by the oral, inhalation and dermal routes of exposure: Rat oral LD50 >5 g/kg; rat 4-hr
inhalation LC50 range = 110 mg/L (32,000 ppm) to 6.4 mg/L (693 ppm) for C6 to C16; and rat/rabbit
dermal LD50 > highest doses tested (1.43 - 10 g/kg).
Studies in Animals
Inhalation
By the inhalation route in rats, mice and guinea pigs, results of many studies with C6-C16 alpha and
internal olefins show that median lethal concentration values (LC50) are greater than the saturated
mist concentration or a vapour concentration limited by the Lower Explosive Limit (LEL). The rat
4-hr inhalation LC50 range = 110 mg/L (32,000 ppm) to 6.4 mg/L (693 ppm) for C6 to C16.
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Dermal
Many studies with alpha and internal olefins ranging from C6-C24 show that the median lethal dose
values (LD50) for the dermal route of exposure in rabbits are greater than the highest doses tested,
which ranged from 1.43 g/kg to 10 g/kg. Similarly, the dermal LD50 values for rats exposed to a C12
or C20-C24 alpha olefin, a C10-C13 internal olefin, or a C20-C24 internal (branched and linear) olefin,
are greater than the highest doses tested (2-10 g/kg).
Oral
Many studies with C6-C24 alpha and internal olefins show that the median lethal dose values (LD50)
for the oral route of exposure in rats are greater than 5 g/kg; and, in those studies in which the
highest dose tested was 10 g/kg, the LD50 was found to be greater than 10 g/kg.
Studies in Humans
Inhalation
In a review, Cavender (1998) noted that 1-hexene, when inhaled at a concentration of 0.1 percent
(1000 ppm), causes central nervous system (CNS) depression with mucous membrane irritation,
vertigo, vomiting and cyanosis.
Conclusion
By the oral, dermal, and inhalation routes of exposure, the Higher Olefins Category members
appear to have a low order of acute toxicity.
3.1.3
Irritation
The data for irritation are summarized in the Annex Table 2a.
Skin Irritation
Studies in Animals
Skin irritation studies are available for C6-C18 alpha and internal olefins. Most available data show
that, under 4-hr semi-occluded conditions, C6-C18 alpha and internal olefins are only mildly
irritating to rabbit skin (see the Annex Table 2a). When current testing guideline recommendations
were used, only two of the products tested (C10 and C12 alpha olefins) produced 24-72 hr scores for
erythema or edema ≥2. When tested under more extreme conditions (24-hr exposure, abraded skin,
occluded dressing), several alpha and internal olefins caused irritation.
In a repeated dose study, 1-hexadecene was administered to skin of guinea pigs on 4 alternate days
during 7 days at 0.5-0.6 ml/day and skin evaluations were made every other day for 20 days
following the first treatment (Hoekstra and Phillips, 1963). The report does not indicate that the
treated site was covered or cleaned between or after applications. Skin irritancy was graded on a 0-8
scale. 1-Hexadecene was severely irritating with a maximum score of 8..
Studies in Humans
A human patch test was performed with 1-octadecene (Shell Oil Company, 1992a). Each volunteer
received a single 24-hour semi-occluded patch exposure to undiluted material and to dilutions in
mineral oil (25%, 10% and 1%). No evidence of irritation was noted with dilute applications, but
strong clinical reactions were produced by the undiluted 1-octadecene.
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Eye Irritation
Studies in Animals
Eye irritation studies with C6-C18 alpha and internal olefins indicate that these chemicals are only
slightly irritating to rabbit eyes (see the Annex Table 2a).
Respiratory Tract Irritation
Studies in Animals
No animal studies have been identified for this endpoint.
Studies in Humans
In a review, Cavender (1998) noted that 1-hexene, when inhaled, at a concentration of 0.1 percent
(1000 ppm), causes mucous membrane irritation; however, there is no evidence that 1-hexene or
any C6-C18 alpha or internal olefin causes serious respiratory irritation.
Conclusion
Based on available data, exposure to category members may cause mild skin and eye irritation and
inhalation of the lower chain length members may cause mild respiratory tract irritation. Prolonged
exposure of the skin for many hours may cause skin irritation.
3.1.4
Sensitisation
The available data for sensitisation are summarized in the Annex Table 2a.
Studies in Animals
Skin
Available data for C6-C18 alpha and internal olefins indicate that these materials do not cause skin
sensitisation in guinea pigs.
Respiratory Tract
No data were identified for this endpoint.
Studies in Humans
Skin
Thirty-six human volunteers received nine induction exposures (24-hr, semi-occluded patch on
upper arm) to a 25% dilution of 1-octadecene in mineral oil (Shell Oil Company, 1992b). Challenge
applications failed to elicit sensitisation reactions.
Respiratory Tract
No data were identified for this endpoint.
Conclusion
Based on data provided, members of the Higher Olefins Category are not likely to be skin
sensitisers.
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Repeated Dose Toxicity
Similar low levels of toxicity were demonstrated in several rat oral repeated dose studies with
structural analogues of members of the Higher Olefins Category. The substances tested were: C6, C8
and C14 linear alpha olefins, C6 internal olefin (58% branched), C16/C18 internal olefins (26%
branched), C18 internal olefin (32.5% branched) and C20-C24 internal olefins (>70% branched).
When tested in rats by the inhalation route, 1-hexene, a structural analogue of hexene (the category
member with the highest vapour pressure), produced only reduced bodyweight in females and
questionable organ weight changes. Data also exist for a short-term (14 days) dermal study in rats
(C12-C16 alpha olefin blend). The data for repeated dose toxicity are summarized in the Annex Table
2.
Studies in Animals
Inhalation
1-hexene: A subchronic study of 1-hexene was conducted by inhalation, considered to be the most
relevant route for human repeated exposure (Gingell et al., 1999). Rats were exposed to 0, 300,
1000, and 3000 ppm (0, 1.03, 3.44, and 10.33 mg/L) 1-hexene for 90 days (6 hrs/day, 5 days/week)
and evaluated for systemic toxicity. No mortalities and no clinical signs of toxicity attributable to
1-hexene exposures were observed. Female rats exposed to 3000 ppm had significantly lower body
weights. Several statistically significant effects in hematology, clinical chemistry, and urinalysis
evaluations were observed: elevated serum phosphorus in males at 300, 1000 and 3000 ppm and in
females at 1000 and 3000 ppm; lower serum lactate dehydrogenase in female rats exposed to 1000
ppm, and in both male and female rats exposed to 3000 ppm; lower serum albumin in female rats
exposed to 3000 ppm; elevated hematocrit and RBC count in 3000 ppm males and in 1000 and
3000 ppm females; lower mean corpuscular hemoglobin and hemoglobin concentration in 1000 and
3000 ppm females. These findings were either of small magnitude or did not correlate with
histopathological findings, and thus did not appear to be of biological significance. At 3000 ppm,
male rats exhibited slightly increased absolute and relative testicular weights; however, when the
left testicle was detunicated prior to weighing, there was no statistically significant increase in testis
weight compared with the controls. Female rats had slightly decreased absolute (but not relative)
liver and kidney weights, at 3000 ppm. No treatment-related gross or histological lesions were
noted in these or other tissues. Sperm counts were observed and were not considered to show
statistical significance. Exposure to 1-hexene did not affect neuromuscular coordination in females
as determined using the Rotorod. The NOEL appeared to be 3.44 mg/L (1000 ppm), based on
changes in body weight and questionable organ weight changes at 10.33 mg/L (3000 ppm). The
LOEL was 10.33 mg/L (3000 ppm).
Dermal
C12-C16 alpha olefins: A blend of C12-C16 alpha olefins was administered to skin of rats once daily
for nine applications in a two-week period at 2.0 g/kg (undiluted) and 1.0 g/kg (diluted 1:1 with
corn oil) (Gulf Life Science Center, 1983a). All animals survived to the end of the study and no
moribund animals were observed during the study. The high dose produced severe skin reactions in
all animals. Dermal reactions increased in severity with the number of applications. When the test
material was administered at a 1.0-g/kg level, slight skin reactions were seen. Depressed body
weight gains were observed in the 2.0-g/kg group but not in the 1.0 g/kg group. The decreases in
bodyweight were associated with decreases in the absolute weights of most organ systems and
small but statistically significant differences in the relative weight ratios for several organs. No
treatment-related effects were noted for food consumption, clinical signs (other than dermal
reactions), hematology, or clinical chemistry. Treatment was associated with histological changes in
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the skin at the point of application in all animals, but there were no other microscopic changes seen
that could be associated with the test substance. Study authors concluded that, under conditions of
the study, repeated dermal applications of the blend of C12-C16 alpha olefins at 2.0 g/kg, but not at
1.0 g/kg, caused severe skin reactions and depressed body weight gains. The reviewer assessed
NOAEL for systemic effects was 1.0 g/kg/day and the LOAEL was 2.0 g/kg/day, based on
decreased body and organ weights.
Oral
Alkenes, C6 (internal, 58% branched): Rats were orally dosed with alkenes, C6 (OECD 422
combined repeated dose toxicity and reproduction/developmental toxicity screening test) at
concentrations of 0, 100, 500 or 1000 mg/kg/day (Thorsrud, 2003a). The reproduction/
developmental toxicity results from this study are discussed in Section 3.1.8; and the neurotoxicity
results are discussed in Section 3.1.9. There were no toxicologically meaningful differences noted
in mean body weights, body weight gain, food consumption, hematology, coagulation or the
clinical chemistry parameters evaluated. In males, statistically significant differences in organ
weight data included higher absolute adrenal weight in the 100 mg/kg/day group; higher absolute
kidney weights in the 100, 500 and 1000 mg/kg/day groups; higher kidney weight relative to final
body weight in the 500 and 1000 mg/kg/day groups; and higher liver weight relative to final body
weight in the 1000 mg/kg/day group. In females, statistically significant differences in organ weight
data included higher kidney weight relative to final body weight in the 500 and 1000 mg/kg/day
groups, and higher liver weight relative to final body weight in the 1000 mg/kg/day group. None of
the differences was considered toxicologically meaningful since they did not correlate with any
toxicologically significant histopathological changes. Minimal to mild hyaline droplet nephropathy
within the proximal convoluted tubules were observed in males in the 1000 mg/kg/day group;
however, the author concluded that these findings are not considered toxicologically significant to
humans. The NOAEL was determined to be 1000 mg/kg/day. The NOEL for systemic toxicity was
100 mg/kg/day for females (kidney effects). No NOEL was determined for males due to kidney and
adrenal effects. The LOEL was 500 mg/kg/day for females and 100 mg/kg/day for males.
1-hexene: Groups of 5 male and 5 female rats were exposed to 1-hexene via gavage for 28 days at
0, 10, 101, 1010 and 3365 mg/kg/day (OECD Test Method 407) (Dotti et al., 1994). The main
effect exhibited was irritation of the gastric mucosa at the two top dose levels (> 1010 mg/kg/day)
along with reduced body weights. Spleen weights were reduced at the top dose of 3365 mg/kg/day,
but there were no associated histological findings. Pathological changes were restricted to gastric
effects. The NOEL for the study was determined to be 101 mg/kg/day for males (male-rat specific
kidney effect) and 1010 mg/kg/day for females. The LOEL was 3365 mg/kg/day for females and
1010 mg/kg/day for males.
1-hexene: Gingell et al. (2000) conducted a reproduction/developmental toxicity screening study
(OECD 421) in rats with 1-hexene (gavage at doses of 0, 100, 500 and 1000 mg/kg/day). The
reproductive and developmental toxicity results are discussed in Section 3.1.8. Male rats were
dosed for 44 consecutive days and females were dosed for 41-55 consecutive days. No effects were
observed in females. The following kidney effects were observed in males: pitted kidneys (2/12 in
500 mg/kg/day group and 3/12 in the 1000 mg/kg/day group); and the accumulation of eosinophilic
hyaline droplets in the proximal convoluted tubules in all treated rats (incidence of 0/12, 7/12, 8/12
and 9/12 for the 0, 100, 500 and 1000 mg/kg/day groups). The extent of hyaline droplet formation
also increased with dose. Although there was no immunohistochemical verification, the authors
concluded that the formed droplets were alpha2u-globulin, specific to male rats. The NOEL for
males was <100 mg/kg/day and the LOEL was 100 mg/kg/day. The NOEL for females was 1000
mg/kg/day.
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1-octene: Four groups of 20 male and 20 female rats were dosed via gavage with 1-octene for 90
days at 0, 5, 50, and 500 mg/kg/day (Til et al., 1986). Changes that were considered treatmentrelated occurred only in the high-dose group. They consisted of increased kidney weights (in both
sexes), histopathological renal changes (males only), decreased plasma chloride (in both sexes), and
increased plasma creatinine concentration (females only). These findings indicate a nephrotoxic
effect at 500 mg/kg/day. The authors of the study concluded the NOEL to be between 50 and 500
mg/kg/day and probably only slightly less than 500 mg/kg/day. The authors’ rationale was based
on only slight changes being observed at 500 mg/kg/day and no-treatment related effects being
observed at the next lower dose of 50 mg/kg/day. When compared to the control group there were
no significant differences in body weight, food intake, signs of toxicity or behavioral abnormalities,
which could be related to the test substance. Upon review of the study, it appears that the only
NOEL demonstrated from the data is 50 mg/kg/day. This conclusion is based on the limitations of
the doses utilized in the study design and treatment-related effects that were observed at 500
mg/kg/day. The LOEL was 500 mg/kg/day.
1-tetradecene: Rats were orally dosed with 1-tetradecene (OECD modified 422, combined repeated
dose toxicity and reproduction/developmental toxicity screening test) at concentrations of 0, 100,
500, and 1000 mg/kg/day (Daniel, 1995). (The reproductive/developmental toxicity results from
this study are discussed in Section 3.1.8; and the neurotoxicity results are discussed in Section
3.1.9.). An increased incidence of minimal-to-mild hepatocyte cytoplasmic vacuolation, associated
with increased liver weights, was observed in both sexes at >500 mg/kg/day, with the distribution
being inconsistent (multifocal, centrilobular, periportal, generalized). Pitted kidneys and an
accumulation of hyaline droplets in the proximal convoluted tubules of the kidneys occurred in
males at all dose levels. The kidney effects were interpreted to be a result of hydrocarbon
nephropathy, which is specific to male rats. The NOEL for females was 100 mg/kg/day (liver
effects). A NOEL for systemic toxicity to the males was not determined due to the hydrocarbon
nephropathy. The LOEL was 500 mg/kg/day for females and 100 mg/kg/day for males.
C16/C18 internal linear and branched olefin (26% branched): Rats were orally dosed with a C16/C18
internal linear and branched olefin (OECD 407) at concentrations of 0, 25, 150 or 1000 mg/kg/day
for 4 weeks (Clubb, 2000). Functional observations were performed for neurotoxicity evaluation
(see Section 3.1.9). There was little evidence of toxicity noted in animals treated at levels up to
1000 mg/kg/day. A slight increase in male body weight was noted at 1000 mg/kg but the increase
did not achieve statistical significance. Statistically significant, but equivocal, changes in urinary
volume (higher than controls) and kidney weight (lower than controls) were considered unlikely to
be treatment-related in the absence of any macro- or microscopic changes. There were no treatmentrelated findings associated with treatment at 25 or 150 mg/kg/day. The NOAEL was 1000
mg/kg/day.
C18 internal linear and branched olefin (32.5% branched): In a combined reproduction/
developmental toxicity screening test (OECD 421), a C18 internal linear and branched olefin was
administered by gavage to rats at doses of 0, 100, 500 and 1000 mg/kg/day (Thorsrud, 2003b). The
reproductive and developmental toxicity results are discussed in Section 3.1.8. General toxicity
endpoints were limited to mortality, clinical observations, bodyweight, food consumption, gross
necropsy examination, and reproductive organ weights and histopathology. The NOAEL was 1000
mg/kg/day.
C20-C24 internal branched and linear olefins (>70% branched): The test material was administered
by gavage to rats at 0, 100, 500 and 1000 mg/kg/day for a period of 13 weeks (OECD 408)
(Brooker, 1999). At the end of the 13-week treatment period, 10 male and 10 female animals from
the control and high dose groups were maintained, undosed for a 4-week period to assess recovery.
There were no deaths during the study. No clinical signs or effects on bodyweight or food intake
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were seen. No ophthalmological or neurobehavioral effects were noted (see Section 3.1.9 for a
discussion of the neurobehavioral screen). Slight yet reversible changes in hematological
parameters were noted amongst animals receiving 1000 mg/kg/day. Group mean glucose levels
were significantly higher amongst male rats receiving 500 and 1000 mg/kg/day. Minimal, adaptive
hepatic changes (centrilobular hepatocyte hypertrophy), associated with higher group mean liver
weight, were detected in a small number of females of all treated groups, but was statistically
significant only at 1000 mg/kg/day. An increased incidence of minimal or slight adrenal cortical
hypertrophy was noted amongst females receiving 1000 mg/kg/day associated with increased
adrenal weight. An increased incidence of minimal or slight epithelial hyperplasia in the stomach
was noted amongst males receiving 1000 mg/kg/day. These findings were not present following a
4-week recovery period and were considered to be of no toxicological importance. The author
assessed NOAEL was 1000 mg/kg/day. The NOEL was 100 mg/kg/day for males (glucose). The
NOEL for females was 500 mg/kg/day (adrenal and liver effects). The LOEL was 500 mg/kg/day
for males and 1000 mg/kg/day for females.
Studies in Humans
No data were identified.
Conclusion
Repeated dose studies in which rats were exposed by the inhalation route (C6 alpha), dermal route
(C12-C16), or oral route (C6 alpha and internal linear/branched; C8 and C14 alpha; and C16/C18, C18
and C20-C24 internal linear/branched), have shown comparable levels of low toxicity. In females,
alterations in body and organ weights, changes in certain clinical chemistry/hematology values, and
liver effects were noted (NOELs of ≥ 100 mg/kg oral or ≥3.44 mg/L [≥ 1000 ppm] inhalation). In
males, alterations in organ weights, changes in certain clinical chemistry/hematology values, liver
effects, and kidney damage were noted (LOELs ≥ 100 mg/kg oral only). Male rat nephropathy was
reported on oral administration of C6, C8 and C14 linear alpha olefins and C6 internal olefins (58%
branched), but was not seen in a study with C16/C18 internal (26% branched) olefins or C20- C24
branched and linear internal olefins (>70% branched). While no specific immunohistochemical
staining was conducted to identify the hyaline droplets associated with the observed kidney effects,
their morphology and occurrence only in male rats suggests that they are probably related to alpha
2µ-globulin nephropathy, a male rat specific effect that is not considered relevant to human health
(Hard et al., 1993; Baetcke et al., 1990). Slight increases in liver effects were seen in rat repeated
dose oral studies with the C14 and C20-C24 alkenes (hepatocytic cytoplasmic vacuolation and
associated increases in liver weights in males and females at high doses of 1-tetradecene, and
centrilobular hepatocyte hypertrophy and associated increases in liver weights in females at high
doses of C20-C24 branched and linear internal olefins). Neither these findings nor other effects were
present in the study with C20-C24 branched and linear internal olefins following a 4-week recovery
period, indicating reversibility of the observed effects; and no liver effects were noted in a study
with C16/C18 branched and linear internal olefins. Cytoplasmic vacuolation of hepatocytes is a
common hepatic lesion in rodents, and may in part be an adaptive hypertrophic response to an
intensified metabolic liver burden (Schulte-Hermann, 1974). It is generally considered to be caused
by accumulation of glycogen and/or triglycerides; and it is possible that the effects are an indirect
effect related to consumption of food, or to glycogen metabolism, rather than a direct toxic effect of
the olefin.
3.1.6
Mutagenicity
Tests for gene mutation and chromosome aberrations exist for C6 and C18 linear alpha olefins
(Huntingdon Research Center, 1990a, 1990b, 1990c; Dean, 1980; Shell Development Company,
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1983a, 1983b, 1983c; Gulf Life Sciences Center, 1983b, 1983c, 1983d; Hazleton, 1982a), for C6
(60-74% branched) (Exxon Biomedical Sciences, 1991a, 1991b, 1991c) and C20-C24 internal olefins
(>70% branched) (Thompson, 1998; Durward, 1998; and Wright, 1998), and for several of the
homologues within those ranges. Based on the weight of evidence, these substances are not
genotoxic. The available data for mutagenicity are summarized in the Annex Table 2.
In vivo Studies
Negative results were seen in bone marrow micronucleus tests in which mice were exposed via
inhalation to 1000 - 25,000 ppm (3.44 – 86.05 mg/L) 1-hexene for 2 hrs/day for 2 days (Gulf Life
Sciences, 1983b). Dermal application of a C12-C16 blend of alpha olefins to mice also failed to
induce an increase in micronucleated bone marrow erythrocytes (Gulf Life Sciences, 1983d). Via
the oral route of exposure, weakly positive results were seen in a study with a C6 branched internal
olefin at 5 g/kg (Exxon Biomedical Sciences, 1991b), but this compound was negative when
repeated via the inhalation route at 1057 ppm (3.64 mg/L, saturated vapours) for 6 hrs/day for 2
days (Exxon Biomedical Sciences, 1991c). Oral exposure studies with C6-C8 (Exxon Chemical
Company, 1993) and C8-C10 branched internal olefins (Exxon Biomedical Sciences, 1991e) at 5
g/kg, and with a C16 alpha olefin at 7.85 g/kg (Research Institute of Organic Synthesis, 1990), were
negative. A micronucleus study with C20-C24 linear and branched internal olefins at 2 g/kg via the
intraperitoneal route of exposure was also negative (Durward, 1998)Evidence of bone marrow
toxicity was observed only in the oral exposure studies with a C8-C10 branched internal olefins and
with a C16 alpha olefin.
In vitro Studies
The C6-C24 alpha and internal olefins are not considered to be genotoxic as a result of a broad range
of negative in vitro studies: bacterial reverse mutation (Exxon Biomedical Sciences, 1991a, 1991d;
Huntingdon, 1990a; Hazleton, 1982a; Shell Development Company, 1983b; Brooks et al., 1983;
Burghardtova et al., 1984; Dean, 1980; Research Institute of Organic Synthesis, 1990; and
Thompson 1998); mitotic gene conversion in yeast (Brooks, 1982; Dean, 1980); mammalian cell
gene mutation (Huntingdon, 1990b; Gulf Life Sciences, 1983c); chromosome aberration (Shell
Development Company, 1983a, 1983c; Huntingdon, 1990c; Wilmer, 1986; Dean, 1980; Wright,
1998); transformation (Goode and Brecher, 1983a, 1983b; Shell Development Company, 1983d)
and unscheduled DNA synthesis (Gulf Life Sciences, 1984 a, 1984b).
Conclusion
Based on the weight of evidence from studies with linear alpha and linear and branched internal
olefins, category members are not genotoxic.
3.1.7
Carcinogenicity
No carcinogenicity tests have been conducted on C6-C18 alpha or internal olefins. However, there
are no structural alerts indicating a potential for carcinogenicity in humans.
3.1.8
Toxicity for Reproduction
Reproductive toxicity screening studies are available for C6 and C14 alpha olefins, and C6 branched
and C18 branched and linear internal olefins. In addition, male and female reproductive organs have
been examined in repeated dose studies with C6 alpha olefin and C16/C18 and C20-C24 branched and
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linear internal olefins (see Section 3.1.5). No evidence for reproductive effects was seen in any of
these studies.
Effects on Fertility
Alkenes, C6 (internal, 58% branched olefin): Alkenes, C6 was administered orally in a combined
repeated dose/reproduction/developmental toxicity screening test (OECD 422) in which rats were
exposed for a minimum of 14 days prior to mating, and continuing through lactation day 3
(Thorsrud, 2003a). Dose levels were 0, 100, 500, and 1000 mg/kg/day. There were no
toxicologically meaningful differences noted in F0 bodyweights, body weight change, food
consumption, gross necropsy findings, or reproductive organ weights and histopathology. There
was no evidence of impaired reproductive capabilities in the F0 generation, as measured by effects
on copulation and fertility, precoital intervals, gestation length, time to delivery or unusual nesting
behavior. No histological changes were seen in reproductive organs of treated rats. The NOAEL for
reproductive effects was >1000 mg/kg/day. The results for developmental toxicity are described
below; and results from the repeated dose toxicity phase of the study are described in Section 3.1.5.
1-hexene: 1-Hexene was orally administered via gavage to male and female rats in a
reproduction/developmental toxicity screening test (OECD 421) at the following doses: 0, 100, 500
and 1000 mg/kg/day in corn oil (Gingell et al., 2000). Male rats were treated for 28 days prior to
mating and for an additional 16 days (44 total days). Females were dosed for 14 days prior to
mating and during mating, gestation and lactation (41-55 days). There were no effects on the
following reproductive parameters: precoital intervals, gestation length, pregnancy rates, copulation
and fertility indices. Absolute epididymal weights for males were statistically lower in all treated
groups compared to controls and the epididymal/brain relative weights were also lower in all treated
groups compared to controls (although only the low dose group was statistically significant). The
biological significance of the decreased epididymal weights is uncertain because of no apparent
histopathological effects in the epidiymis and the lack of effect on male reproductive performance.
Therefore, the NOAEL for reproductive toxicity is 1000 mg/kg/day. The results for developmental
toxicity are described below. The kidney effects observed in F0 males have been described
previously in section 3.1.5.
1-tetradecene: 1-Tetradecene, administered orally, was evaluated for reproductive and
developmental toxicity in a combined repeated dose/reproduction/developmental toxicity screening
test (OECD 422) in which male rats were exposed for 28 days prior to mating, and through mating
until euthanasia for a total of 43-47 consecutive days of dosing; 12 females were dosed for 14 days
prior to mating, during mating, gestation and lactation through euthanasia at lactation day 4 (42-51
consecutive days) (Daniel, 1995). A satellite group of eight females was assessed for neurotoxic
analysis (see section 3.1.9). Dose levels were 0, 100, 500, and 1000 mg/kg/day. There was no
evidence of impaired reproductive capabilities in the F0 generation, as measured by effects on
copulation and fertility, precoital intervals, gestation length, time to delivery or unusual nesting
behavior. No histological changes were seen in reproductive organs of treated rats. The NOEL for
reproductive effects was >1000 mg/kg/day. The results for developmental toxicity are described
below; and results from the repeated dose toxicity phase of the study are described in Section 3.1.5.
C18 branched and linear internal olefin (32.5% branched): A C18 branched and linear internal olefin
was orally administered via gavage to male and female rats in a reproduction/developmental
toxicity screening test (OECD 421) at the following doses: 0, 100, 500 and 1000 mg/kg/day in corn
oil (Thorsrud, 2003b). Male rats were treated for 14 days prior to mating, during mating, and for 4
weeks following mating. Females were dosed for 14 days prior to mating and during mating,
gestation and lactation (to lactation day 3). There were no toxicologically meaningful differences
noted in F0 bodyweights, body weight change, food consumption, gross necropsy findings, or
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reproductive organ weights and histopathology. There were no effects on the following
reproductive parameters: copulation and fertility, precoital intervals, gestation length, time to
delivery or unusual nesting behavior. Therefore, the NOAEL for parental and reproductive toxicity
is 1000 mg/kg/day. The results for developmental toxicity are described below.
Developmental Toxicity
alkenes, C6 (internal 58% branched): Alkenes, C6, administered orally, was evaluated in a combined
repeated dose/reproduction/developmental toxicity screening test (OECD 422) in which rats were
exposed for a minimum of 14 days prior to mating, and continuing through lactation day 3 at dose
levels of 0, 100, 500, and 1000 mg/kg/day (Thorsrud, 2003a). There was no evidence of
developmental toxicity in the F1 generation, as measured by the number of implantation sites and
corpora lutea, the number of live and dead pups, number of litters with live offspring, mean litter
size and male to female pup ratio, pup survival and weights, and external observations. The
NOAEL for developmental effects was >1000 mg/kg/day. The results for effects on fertility are
described above; and results from the repeated dose toxicity phase of the study are described in
Section 3.1.5.
1-hexene: 1-Hexene was orally administered via gavage to male and female rats in a
reproduction/developmental toxicity screening test (OECD 421) at dose levels of 0, 100, 500, and
1000 mg/kg/day as described above in the Effects on Fertility section (Gingell et al., 2000). There
was no evidence of developmental toxicity in the F1 generation, as measured by the number of
implantation sites and corpora lutea, the number of live and dead pups, number of litters with live
offspring, mean litter size and male to female pup ratio, pup survival and weights, and external
observations. The NOEL for developmental effects was >1000 mg/kg/day. The results for effects
on fertility are described above.
1-tetradecene: 1-Tetradecene, administered orally, was evaluated for reproductive and
developmental toxicity in a combined repeated dose/reproduction/developmental toxicity screening
test (OECD 422) at dose levels of 0, 100, 500, and 1000 mg/kg/day, as described above in the
Effects on Fertility section (Daniel, 1995). There was no evidence of developmental toxicity in the
F1 generation, as measured by the number of implantation sites and corpora lutea, the number of
live and dead pups, number of litters with live offspring, mean litter size and male to female pup
ratio, pup survival and weights, and external observations. The NOEL for developmental effects
was >1000 mg/kg/day. The results for effects on fertility are described above; and results from the
repeated dose toxicity phase of the study are described in Section 3.1.5.
C18 branched and linear internal olefin (32.5% branched): A C18 branched and linear internal olefin
was orally administered via gavage to male and female rats in a reproduction/developmental
toxicity screening test (OECD 421) at dose levels of 0, 100, 500, and 1000 mg/kg/day, as described
above in the Effects on Fertility section (Thorsrud, 2003b). There was no evidence of
developmental toxicity in the F1 generation, as measured by the number of implantation sites and
corpora lutea, the number of live and dead pups, number of litters with live offspring, mean litter
size and male to female pup ratio, pup survival and weights, and external observations. The
NOAEL for developmental effects was >1000 mg/kg/day. The results of the effects on fertility are
described above.
Conclusion
Based on evidence from reproduction/developmental toxicity screening tests in rats with C6 and C14
alpha olefins and C6 and C18 branched and linear internal olefins, along with the findings of no
biologically significant effects on male or female reproductive organs in repeated dose toxicity
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studies, the Higher Olefins Category members are not considered to cause reproductive or
developmental toxicity.
3.1.9
Neurotoxicity
Neurotoxicity was evaluated in six studies as part of other test protocols already discussed above,
two performed with 1-hexene, one with alkenes, C6 (internal, 58% branched), one with 1tetradecene, one with a C16/C18 internal branched and linear olefin (26% branched), and one with a
C20-C24 internal branched and linear olefin (>70% branched). Neurotoxicity was not observed in
any of the studies. The studies utilizing 1-hexene assessed neuromuscular coordination in rats,
evaluated by rotorod, which indicated no effect after oral administration for 28 days (3365
mg/kg/day) (Dotti et al., 1994) or via inhalation for 90 days (3000 ppm/10.33 mg/L) (Gingell et al.,
1999). Alkenes, C6 (internal branched) and 1-tetradecene were tested in combined repeated
dose/reproduction/developmental toxicity screens, which evaluated a satellite group of eight female
rats for motor activity, clinical pathology and functional observational battery (Thorsrud, 2003a;
Daniel, 1995). Results indicated that there were no test article-related differences that would
indicate neurotoxicity in rats treated orally at 1000 mg/kg/day. The study with C16/C18 internal
branched and linear olefin assessed neurotoxicity using a functional observation battery (Clubb,
2000). Results showed no neurotoxicity in rats treated orally at 1000 mg/kg/day for 4 weeks. When
a C20-C24 internal branched and linear olefins blend was tested in a 90-day rat oral repeated dose
study, which included an evaluation of motor activity and a functional observational battery, no
neurobehavioral effects were seen at 1000 mg/kg/day (Brooker, 1999).
Conclusion
Based on evidence from neurotoxicity screens included in repeated dose studies with C6 and C14
alpha olefins, C6 internal branched olefins; and C16/C18 and C20-C24 internal branched and linear
olefins, the category members are not neurotoxic.
3.2
Initial Assessment for Human Health
Olefins (alkenes) ranging in carbon number from C6 to C24, alpha (linear) and internal (linear and
branched) demonstrate low acute toxicity by the oral, inhalation and dermal routes of exposure: Rat
oral LD50 >5 g/kg; rat 4-hr inhalation LC50 range = 110 mg/L (32,000 ppm) to 6.4 mg/L (693 ppm)
for C6 to C16; and rat/rabbit dermal LD50 > highest doses tested (1.43 -10 g/kg). Repeated dose
studies, using the inhalation (C6 alpha), dermal (C12-C16 alpha), or oral (C6 alpha and internal
linear/branched; C8 and C14 alpha; and C16/C18, C18 and C20-C24 internal linear/branched) routes of
exposure, have shown comparable levels of low toxicity in rats. In females, alterations in body and
organ weights, changes in certain clinical chemistry/hematology values, and liver effects were
noted (NOELs of ≥ 100 mg/kg oral or ≥ 3.44 mg/L [1000 ppm] inhalation). In males, alterations in
organ weights, changes in certain clinical chemistry/hematology values, liver effects, and kidney
damage were noted (LOELs ≥ 100 mg/kg oral only). The male rat kidney damage was seen in oral
studies with C6, C8 and C14 linear alpha olefins and C6 internal branched olefins, but was not seen in
studies with C16/C18 or C20-C24 internal linear/branched olefins. While no specific
immunohistochemical staining was conducted to identify the hyaline droplets associated with the
observed kidney effects, their morphology and occurrence only in male rats suggest that they are
probably related to alpha2µ-globulin nephropathy, a male rat specific effect that is not considered
relevant to human health. The noted liver effects were seen in oral studies with C14 alpha olefins
(minimal-to-mild hepatocyte cytoplasmic vacuolation with increased liver weight in males and
females) and with C20-C24 internal olefins (minimal centrilobular hepatocyte hypertrophy with
increased liver weight in females only). No effects were present in the study with C20-C24 internal
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olefins following a 4-week recovery period, indicating reversibility of the observed effects. These
liver effects seen only with the larger molecules may be indirect effects of an intensified liver
burden, rather than a direct toxic effect of the olefin. Based on evidence from neurotoxicity screens
included in repeated dose studies with C6 and C14 alpha olefins and with C6, C16/C18 and C20-C24
internal linear/branched olefins, the category members are not neurotoxic. Based on evidence from
reproductive/developmental toxicity screens in rats with C6 and C14 alpha olefins and C6 and C18
linear/branched internal olefins, along with the findings of no biologically significant effects on
male or female reproductive organs in repeated dose toxicity studies, the category members are not
expected to cause reproductive or developmental toxicity. Based on the weight of evidence from
studies with alpha and internal olefins, category members are not genotoxic. No carcinogenicity
tests have been conducted on C6-C18 alpha or internal olefins; however, there are no structural alerts
indicating a potential for carcinogenicity in humans. These materials are not eye irritants or skin
sensitizers. Prolonged exposure of the skin for many hours may cause skin irritation. The weight of
evidence indicates alpha and internal olefins with carbon numbers between C6 and C24 have a
similar and low level of mammalian toxicity, and the toxicity profile is not affected by changes in
the location of the double bond or the addition of branching to the structure. Thus, the data available
for the C6-C24 alkenes are adequate to characterize the human health hazards of substances included
in the Higher Olefins Category and justify the category designation. The data indicate a low hazard
potential for human health for members of the Higher Olefins Category, which is consistent with
the conclusion reached at SIAM 11 for the Alpha Olefins Category.
4
HAZARDS TO THE ENVIRONMENT
4.1
Aquatic Effects
Products in this category are expected to cause a relatively narrow range of toxicity to freshwater
fish, invertebrates and algae. This assessment is based on existing data for products that can be
used to read across to this category and results of computer modelling using ECOSAR for selected
chemical components of product streams in this category [ECOSAR is an aquatic toxicity
modelling program and is a subroutine contained in EPIWIN (EPIWIN, 1999a,b; 2000a,b)]. The
relatively narrow range of toxicity for the lower molecular weight members of the category is not
unexpected because:
•
•
Constituent chemicals of products in this category are neutral organic hydrocarbons whose toxic
mode of action is non-polar narcosis and whose potencies are equivalent.
Although the double bond location is different for alpha and internal olefins, for same carbon
number olefins, the aquatic toxicity of the two types of olefins are anticipated to be similar.
The toxic mechanism of short-term toxicity for these types of chemicals is disruption of biological
membrane function (van Wezel and Opperhuizen, 1995), and the differences between measured
toxicities (i.e., LC/LL50, EC/EL50) can be explained by the differences between the target tissuepartitioning behavior of the individual chemicals (Verbruggen et al., 2000). The existing fish
toxicity database for narcotic chemicals supports a critical body residue (CBR, the internal
concentration that causes mortality) of between 4-5 mmol/kg fish (wet weight) (McCarty and
Mackay, 1993; McCarty et al., 1991), and supports the assessment that these chemicals have equal
potencies within the range of solubility that results in toxicity. When normalized to lipid content,
the CBR is approximately 50 µmol of hydrocarbon/g of lipid for most organisms (DiToro et al.,
2000).
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The members of the Higher Olefins Category include alpha and internal olefins. Computer
modelling suggests that aquatic toxicity does not differ with bond location, alpha compared to
internal. The data shown in Tables 9 and 10 illustrate this point. EPIWIN (EPIWIN, 1999b, 2000b)
was used to estimate the water solubility and octanol/water partitioning coefficient (Kow) values.
The log Kow was then used in the U.S. EPA’s ECOSAR computer program (EPIWIN, 1999b,
2000b) to estimate toxicity to fish, Daphnia, and alga.
Table 9 compares calculated acute toxicity values of C6-C10 internal olefins for a fish, Daphnia, and
alga. Calculated water solubility and log Kow values are also presented for these chemicals. The
data show that toxicity increases with increasing carbon number, which is consistent with
increasing Kow values. In comparison, water solubility for these olefins decreases as carbon
number increases. Toxicity values for C12-C18 olefins are not included because olefins in this
molecular weight range will not cause acute toxicity for the endpoints listed in Table 9. The lack of
acute toxicity is due to water solubility limitations for chemicals in this range of carbon numbers. In
other words, higher molecular weight olefins will not be in solution at concentrations that will result
in a CBR within the range that would produce mortality.
Table 9
Calculated aquatic toxicity, water solubility and log Kow values for selected C6
to C10 internal olefinsa
Chemical
CAS #
Hexenec
Daphnid Green
48h LC50 Algae
(mg/L)
96hEC50
(mg/L)
Water
Log Kow
Solubility
(calculated)
(calculated)
(mg/L)b
25264-93-1 6.16
7.10
4.72
30.32
3.07
Heptene
25339-56-4 2.09
2.51
1.73
9.27
3.64
Octened
d
Fish 96h
LC50
(mg/L)
25377-83-7 0.83
1.03
0.73
3.35
4.13
c
27215-95-8 0.38
0.48
0.35
1.41
4.55
d
25339-53-1 0.12
0.16
0.12
0.41
5.12
Nonene
Decene
a
EPIWIN (EPIWIN, 2000b) was used to estimate the water solubility and octanol/water partitioning coefficient
(Kow) values. The log Kow was then used in the U.S. EPA’s ECOSAR computer program to estimate toxicity
to fish, Daphnia, and alga.
b
Value shown is value used by EIPWIN for ECOSAR calculation.
c
EPIWIN used structure with double bond between second and third carbons.
d
EPIWIN used alpha structure.
Table 10 compares a second set of calculated toxicity values between alpha and internal olefins.
These data show that similar toxicity is expected for a carbon number regardless of bond location.
A comparison of toxicity values for 1-, 2-, and 3- hexene for a fish, Daphnia, and alga show similar
toxicity within each individual organism. This similarity in toxicity for each carbon number is
consistent through 1- and 5-decene. As seen with the data presented in Table 9, toxicity increases as
carbon chain length increases.
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Table 10 Calculated aquatic toxicity, water solubility, and log Kow values for selected C6
to C10 alpha and internal olefinsa
Chemical
CAS #
Daphnid Green
Fish
48h LC50 Alga 96h
96h
(mg/L)
EC50
LC50
(mg/L)
(mg/L)
Water
Solubility
(calculated)
(mg/L)b
Log Kow
(calculated)
1-Hexene
592-41-6
5.18
6.01
4.01
25.13
3.15
t-2-Hexene
4050-45-7
6.16
7.10
4.72
30.32
3.07
t-3-Hexene
13269-52-8
6.16
7.10
4.72
30.32
3.07
1-Heptene
592-76-7
2.09
2.51
1.73
9.27
3.64
t-2-Heptene
14686-13-6
2.49
2.97
2.03
11.19
3.56
t-3-Heptene
14686-14-7
2.49
2.97
2.03
11.19
3.56
1-Octene
111-66-0
0.83
1.03
0.73
3.35
4.13
t-2-Octene
13389-42-9
0.96
1.19
0.84
3.95
4.06
3-Octene
14919-01-8
0.96
1.19
0.84
3.95
4.06
t-4-Octene
14850-23-8
0.96
1.19
0.84
3.95
4.06
1-Decene
872-05-9
0.12
0.16
0.12
0.41
5.12
t-5-Decene
7433-56-9
0.14
0.19
0.14
0.50
5.04
a
EPIWIN (EPIWIN, 2000b) was used to estimate the water solubility and octanol/water partitioning coefficient
(Kow) values. Default values were used for calculations. The log Kow was then used in the U.S. EPA’s
ECOSAR computer program to estimate toxicity to fish, Daphnia, and alga.
b
Value shown is the default calculated water solubility value that ECOSAR used for the toxicity calculations.
Acute Aquatic Toxicity Test Results
For acute aquatic toxicity, the existing data (Table 11) indicate that through the C10 olefins, acute
toxicity can be observed (C6: EC/LC50 range of 1-10 mg/L; C7-C10: EC/LC50 range of 0.1-1.0 mg/L),
and that toxicity increases with increasing carbon number within that range, which is consistent
with increasing Kow values (3.07 – 5.12). Product solubility during toxicity testing is critical to
understanding both observations and estimates of effects. Solubility is within the range of observed
acute toxicity. For an internal decene stream (CAS No. 25339-53-1), the acute toxicity to fish was
observed to be 0.12 mg/L and the corresponding estimated solubility using ECOSAR suite
(EPIWIN, 2000b) is 0.41 mg/L. The effects seen in algae, Daphnia, and fish are approximately
equal at water solubility. However, since that value is the LC50, there were concentrations above
the LC50 of 0.12 mg/L that may not have been in solution. Above a chain length of 10, toxicity is
not observed within the limits of solubility. The results for tetradecene and higher carbon numbers
indicating LL0/EL0 > 1000 mg/L only show that there was no toxicity at any exposure
concentration. The solubility was too low to have resulted in toxicity. Therefore, meaningful acute
toxicity data can be identified only at or below C10 where solubility is high enough to allow the
acute effects to be expressed.
Determining the aquatic toxicity of products that have relatively low water solubility and higher
vapour pressure, like those in this category, can be difficult because they tend not to remain in
solution. These data show that the measured and calculated values are in good agreement through
octene, and they also support that the test methods used procedures that were able to maintain
exposures. These data are believed to form a sufficiently robust dataset to fully characterize the
acute aquatic toxicity endpoints in the OECD HPV Chemicals Programme.
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Table 11 Algae toxicity and invertebrate and fish acute toxicity of C6-C24 alkenesa
Chemicalb
Acute Toxicity to Fish
(Rainbow trout unless
otherwise specified)
(mg/L)
Acute Toxicity to
Invertebrates
(Daphnia)
(mg/L)
Acute Toxicity to Plants
(Algae)
(mg/L)
Hexene
(CAS # 25264-93-1)
NDA
NDA
NDA
Alkenes, C6
(internal branched
stream)
(CAS# 68526-52-3)
96-hr LC50 = 6.6
(measured)
96-hr LL50 = 12.8
(nominal)
96-hr NOEC = 2.9
(measured)
Mortality, semi-static; no
headspace; WAFd
48-hr EC50 = 4.4
(measured)
48-hr EL50 = 20
(nominal)
Static, sealed vessel
conditions with minimal
headspace
96-hr EC50 (cell density) = 4.6
96-hr NOEC (cell density) = 1.8
96-hr EbC50 (biomass) = 4.5
96-hr NOEC (biomass) = 0.23
96-hr ErC50 (growth rate) >5.5
96-hr NOEC (growth rate) = 1.8
(measured)
Static; WAF; sealed vessel
conditions with no headspace
1-hexene
(CAS# 592-41-6)
24,48,72,96-hr LC50 = 9.7,
5.6, 5.6 and 5.6 (measured)
Semi-static, minimal
headspace to prevent losses
through evaporation
48-hr EL50 = 32
(estimated);
NOEC = 10 (nominal)
Static, stoppered flask
96-hr EC50 > solubility
96-hr EL0>22 (22 mg/L was the
highest nominal concentration
tested that was below the water
solubility)
Static; endpoint was biomass; no
attempt to prevent evaporation;
no reduction in cell numbers at
1000 mg/L (nominal)
Heptene
(CAS# 25339-56-4)
NDA
NDA
NDA
Octene
(CAS# 25377-83-7)
NDA
NDA
NDA
Alkenes, C7-9, C8
rich (internal stream)
(CAS# 68526-54-5)
96-hr LC50 = 0.87
(measured)
96-hr LL50 = 8.9 (nominal)
96-hr NOEC = 0.4
(measured)
Mortality, semi-static; no
headspace; WAF
NDA
NDA
2-Octene (trans)
(CAS# 111-67-1)
Zebra fish (Brachiodanio
rerio)
96-hr LL50 = 7.5 (nominal)
96-hr NOEC = 3.2
(nominal)
Semi-static, stirred 4 hr
before adding fish, glassstoppered flask
48-hr EL50>3.2<10
(nominal) (est. to be
about 6)
48-hr NOEC = 3.2
(nominal)
Static, stirred 4 hr before
adding test animals;
tested in glass-stoppered
flask
NDA
1-Octene
(CAS# 111-66-0)
Zebra fish (Brachiodanio
rerio)
24-96-hr LL50>3.2 <10
(nominal) (est. to be about
6)
48-hr EL50>3.2<10
(nominal) (est. to be
about 6)
48-hr NOEC = 3.2
(nominal)
NDA
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HIGHER OLEFINS
Acute Toxicity to Fish
(Rainbow trout unless
otherwise specified)
(mg/L)
Acute Toxicity to
Invertebrates
(Daphnia)
(mg/L)
96-hr NOEC = 3.2
(nominal)
Semi-static, stirred 4 hr
before adding fish, glassstoppered flask
Static, stirred 4 hr before
adding test animals;
tested in glass-stoppered
flask
Nonene
(CAS# 27215-95-8)
NDA
NDA
NDA
1-Nonene
(CAS# 124-11-8)
Zebra fish (Brachiodanio
rerio)
48-hr LL50>3.2 <10
(nominal) (est. to be about
6)
96-hr LL50 <3.2 (nominal)
Semi-static, stirred 4 hr
before adding fish, glassstoppered flask
48-hr EL50 <3.2
(nominal) (est. to be
about 2)
Static, stirred 4 hr before
adding test animals;
tested in glass-stoppered
flask
NDA
Decene
(CAS# 25339-53-1)
NDA
NDA
NDA
Alkenes, C9-11, C10
rich (internal stream)
(CAS# 68526-56-7)
96-hr LC50 = 0.12
(measured)
96-hr NOEC = 0.06
(measured)
96-hr LL50 = 4.8 (nominal)
Mortality, semi-static; no
headspace; WAF; mortality
at ≥ 0.08 mg/L
NDA
NDA
Dodecene
(CAS# 25378-22-7)
NDA
NDA
NDA
Alkenes, C11-13,
C12 rich (internal
stream)
(CAS# 68526-58-9)
96-hr EC50 > solubility
96-hr LL0 =86.0 (nominal;
estimated to be <0.20
[lowest analyzed standard])
Mortality, semi-static; no
headspace;WAF; no
mortality
NDA
NDA
Alkenes, C10-13
(CAS# 85535-87-1)
(Studies conducted
with C10-13 internal
olefin blends having
composition
different from the
current product)
96-hr LC50 > solubility
96-hr LL0 = 1000
(nominal)
Semi-static, vessels not
sealed, solution aerated.
Concentrations utilized in
testing were greater than the
water solubility; 2 studies;
no mortality in 1 study and
1/10 fish died in the other
study
48-hr EL50 = 0.74
(nominal)
Static, vessels not sealed,
no headspace; no
dissolved test substance
observed at the highest
dose (5 mg/L)
NDA
1-Tetradecene 99%
96-hr LC50 > solubility
48-hr EC50 > solubility.
96-hr EC50 > solubility.
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Acute Toxicity to Plants
(Algae)
(mg/L)
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Chemicalb
Acute Toxicity to Fish
(Rainbow trout unless
otherwise specified)
(mg/L)
Acute Toxicity to
Invertebrates
(Daphnia)
(mg/L)
Acute Toxicity to Plants
(Algae)
(mg/L)
(CAS# 1120-36-1)
Actual concentration
negligible.
96-hr LL0 = 1000 (nominal)
Mortality; semi-static test;
WAF; concentration utilized
in testing greater than water
solubility; TOCe analysis at
0 hr demonstrated that
values for exposure media
were no greater than control
value; no toxicity seen at
1000 mg/L
Actual concentration
negligible.
24-hr EL0 and 48-hr
EL0 = 1000 (nominal)
Immobility; semi-static
test; WAF; concentration
utilized in testing greater
than water solubility;
TOC analysis at 0 hr
demonstrated that values
for exposure media were
no greater than control
value; no toxicity seen at
1000 mg/L
Actual concentration negligible.
72- 96 hr EL0 = 1000 (nominal)
Growth; static test; WAF;
concentration utilized in testing
greater than water solubility; no
toxicity seen at 1000 mg/L
1-Hexadecene
(CAS# 629-73-2)
96-hr LC50 > solubility
Actual concentration
negligible.
96-hr LL0 = 1000 (nominal)
Mortality; semi-static test;
WAF; concentrations
utilized in testing greater
than water solubility; TOC
analysis at 0 hr
demonstrated that values for
exposure media were no
greater than control value;
no toxicity seen at 1000
mg/L
NDA
72-hr EbC50 > solubility
24-48-hr ErC50 > solubility
Actual concentration negligible.
72-hr EL0 = 1000 (nominal)
Growth; static test; WAF;
concentration utilized in testing
greater than water solubility;
TOC analysis at 0 hr
demonstrated that values for
exposure media were no greater
than control value; no toxicity
seen at 1000 mg/L
1-Octadecene
(CAS# 112-88-9)
96-hr LC50 > solubility
96-hr LL0 = 1000
(nominal)
Mortality; semi-static test;
concentrations utilized in
testing greater than
solubility; no toxicity seen
at 1000 mg/L
24-hr and 48-hr EC50 >
solubility
24-hr and 48-hr EL50
>1000 (nominal)
Immobility; static test;
concentrations utilized in
testing greater than water
solubility; <4%
immobilized during 48hr exposure to 1000
mg/L (nominal)
96-hr EC50 > solubility
96-hr EL0 = 1000 (nominal)
Growth; static test;
concentrations utilized in testing
greater than solubility; no
toxicity seen at 1000 mg/L
C16/C18 internal
linear and branched
blend (50/50)
(CAS# 26952-14-7)
Turbot (Scopthalmus
maximus)
96-hr LC50 > solubility
96-hr LL0 = 10,000
(nominal)
Mortality; semi-static test;
concentrations utilized in
testing greater than water
solubility; no toxicity seen
at 10,000 mg/L
NDA
NDA
C20-24 linear alpha
96-hr LC50 > solubility
NDA
72-hr EC50 > solubility
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Chemicalb
Acute Toxicity to Fish
(Rainbow trout unless
otherwise specified)
(mg/L)
olefin blend
(CAS# 93934-10-8)
Actual concentrations
negligible.
96-hr LL0 = 1000 (nominal)
Mortality; semi-static test;
WAF; concentrations
utilized in testing greater
than solubility; TOC
analysis at 0 hr
demonstrated that values for
exposure media were no
greater than control value;
no toxicity seen at 1000
mg/L
C20-24 internal
linear and branched
blend
(C20 CAS# 18263603-9; C22 CAS#
182636-04-0; C24
CAS# 182636-05-1)
96-hr LC50 > solubility
Actual concentrations
negligible.
96-hr LL0 = 1000 (nominal)
Mortality; semi-static test;
WAF; concentrations
utilized in testing greater
than solubility; TOC
analysis at 0 hr and at end of
1st 24 hr of testing
demonstrated that values for
exposure media were no
greater than control value;
no toxicity seen at 1000
mg/L
Acute Toxicity to
Invertebrates
(Daphnia)
(mg/L)
Acute Toxicity to Plants
(Algae)
(mg/L)
Actual concentration negligible.
72-hr EL0 = 1000 (nominal)
Growth rate, area under the
curve; static test; WAF;
concentrations utilized in testing
greater than solubility; TOC
analysis at 0 hr demonstrated
that values for exposure media
were no greater than control
value; no toxicity seen at 1000
mg/L
48-hr EC50 > solubility
Actual concentrations
negligible.
48-hr EL0 = 1000
(nominal) Immobility;
static test; WAF;
concentrations utilized in
testing greater than
solubility; TOC analysis
at 0 and 48 hr
demonstrated that values
for exposure media were
no greater than control
value; no toxicity seen at
1000 mg/L
96-hr EC50 > solubility
Actual concentrations negligible.
96-hr EL0 = 1000 (nominal)
Growth; static test; WAF;
concentrations utilized in testing
greater than solubility; TOC
analysis at 0 hr and at end of
test demonstrated that values for
exposure media were no greater
than control value; no toxicity
seen at 1000 mg/L
a
Study details and references are found in the robust summaries in the dossiers.
Higher Olefins Category members are shaded.
c
NDA: No reliable data available
d
WAF: Water accommodated fractions used due to the low water solubility of the test material.
e
TOC: Total Organic Carbon
b
Chronic Toxicity Test Results
No chronic toxicity data were found for C6- C18 alpha or internal olefins. Based on the acute toxicity
results shown in Table 11 and a log Kow value >4.2, the C10 alpha olefin was selected for testing in
chronic aquatic invertebrates (Daphnia), to clarify the chronic toxicity of this category. (Please see
the History section on the SIAR cover page for further information.) The 1-decene Daphnia magna
21 day EC10 was 20.0 µg/L and the EC50 was 28.1 µg/L (ExxonMobil 2004). Reproduction and
growth were more sensitive than survival, resulting in a NOEC of 19.4 µg/L and a LOEC of 28.7
µg/L. The maximum water solubility of 1-decene under the conditions used to generate the stock
solution was approximately 210 µg/L.
The chronic toxicity values estimated for the C6 – C13 category members using the computer
program ECOSAR (EPIWIN, 2000b) are generally consistent with the experimental value for 1decene (see Table 12). Chronic toxicity is not expected for 1-hexadecene or 1-octadecene, whose
water solubility limits are less than the NOEC for 1-decene.
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Table 12 Predicted chronic toxicity results for Higher Olefins Category membersa
Chemical
CAS#
Fish
30-day ChV
Daphnia
16-day EC50
Algae
96-hr ChV
(µg/L)
(µg/L)
(µg/L)
Hexene (C6)
25264-93-1
942
582
876
Heptene (C7)
25339-56-4
351
264
445
Octene (C8)
25377-83-7
150
134
249
Nonene (C9)
27215-95-8
73
75
152
Decene (C10)
25339-53-1
26
32
73
Undecene (C11)
28761-27-5
13
18
44
Dodecene (C12)
25378-22-7
4
8
21
Tridecene (C13)
[component of
Alkenes, C10-13]
25377826
2
4
11
a
EPIWIN (EPIWIN, 2000b) was used to estimate the octanol/water partitioning coefficient (Kow) values. The
log Kow was then used in the U.S. EPA’s ECOSAR computer program to estimate chronic toxicity values
(ChV) for fish and algae and a 16-day EC50 value for Daphnia. CAS#s were used for input into EPIWIN.
EPIWIN used alpha structures for all except hexene, nonene and undecene. Similar results (not shown) were
obtained when structures with the double bond located between the second and third carbon were entered into
the program.
Toxicity to Microorganisms
Available data for C6, C8, C10, C14 and C18 alpha olefins and C20-C24 internal olefins (see Table 13)
suggest that the members of the Higher Olefins Category do not cause toxicity to microorganisms at
saturation levels.
Table 13 Summary of toxicity to microorganismsa
Chemical
Species
Method
Result
1-hexene
(1)Pseudomonas
fluorescens
(2)13 marine bacteria
(1) 79/931/EEC, Annex V,
According to
Degradability,
Ecotoxicity, and
Bioaccumulation, TNO,
Delft, The Netherlands,
1977
(1)Maximum inhibition was 24% at
1000 mg/L
(2)Toxic effect [log EC10 (mol/L)
= -0.49]; log EC50 > saturation
level
(2) Acute static bioassay
1-octene
13 marine bacteria
Acute static bioassay
EC50 > saturation level
1-decene
13 marine bacteria
Acute static bioassay
EC50 > saturation level
1-tetradecene
(1)Pseudomonas
fluorescens
(2)13 marine bacteria
(3)Candida sp. and
Saccharomyces
carlsbergensis
(1)comparable to guideline
study
(2)Acute static bioassay
(3)growth inhibition
(1)EC50 >1000 mg/L
(2)EC50 > saturation level
(3)Good growth w/glucose; w/out
glucose: good growth in
Candida; no growth in
Saccharomyces
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Chemical
Species
Method
Result
1-octadecene
Pseudomonas
fluorescens
79/931/EEC, Annex V,
According to Degradability,
Ecotoxicity, and
Bioaccumulation, TNO,
Delft, The Netherlands, 1977
EC50 > 1000 mg/L
C20-24 alkenes,
internal branched
and linear
Sewage sludge microorganisms
OECD 209
EC50 > 1000 mg/L at 30 min and 3
hr (did not inhibit the respiration
rate of activated sewage sludge)
a
4.2
Study details and references are found in the robust summaries in the dossiers.
Terrestrial Effects
There were no terrestrial toxicity studies found for the members of the Higher Olefins Category or
structural analogues.
Based on level III fugacity modelling, the estimated partitioning of these chemicals indicates that
there is a potential (increasing with chain length) to partition to the sediment and soil
compartments, if released to the environment.
4.3
Other Environmental Effects
No data available.
4.4
Initial Assessment for the Environment
The potential for exposure of aquatic organisms to members of the Higher Olefins Category will be
influenced by their physico-chemical properties. The predicted or measured water solubilities of
these olefins range from 50 mg/L at 20°C for hexene to 0.00015 mg/L at 25°C for 1-octadecene,
which suggests there is a lower potential for the larger olefins to be bioavailable to aquatic
organisms due to their low solubilities. Their vapor pressures range from 230.6 hPa at 25°C for
hexene to 0.00009 hPa at 25°C for 1-octadecene, which suggests the shorter chain olefins will tend
to partition to the air at a significant rate and not remain in the other environmental compartments
for long periods of time; while the longer chain olefins will tend to partition primarily to water, soil
or sediment, depending on water solubility and sorption behaviour. The soil adsorption coefficients
(Koc) range from 149 for C6 to 230,800 for C18, indicating increasing partitioning to soil/sediment
with increasing carbon number. Level I fugacity modeling predicts that the C6-C13 olefins would
partition primarily to air, while the C16-C18 olefins would partition primarily to soil. Results of
Level III fugacity modelling suggest that the C6 – C8 category members will partition primarily to
the water compartment; and, as the chain length increases beyond C10, soil and sediment become
the primary compartments. These chemicals have a very low potential to hydrolyze and do not
photodegrade directly. However, in the air, all members of the category are subject to atmospheric
oxidation from hydroxyl radical attack, with calculated degradation half-lives of 1.8 to 4.1 hours.
C6 – C18 olefins have been shown to degrade to an extent of approximately 8-81% in standard 28day biodegradation tests. These results were not clearly correlated with carbon number or any other
identifiable parameter; however, the weight of evidence shows that the members of the Higher
Olefins Category have potential for degradation in the environment. Volatilization from water is
predicted to occur rapidly (hours to days), with Henry’s Law Constants (bond method) ranging
from 0.423 (C6) to 10.7 (C18) atm-m3/mol. Consideration of these degradation processes supports
the assessment that these substances will degrade relatively rapidly in the environment and not
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persist. Based on calculated bioconcentration factors, the C6, C7, C16 and C18 category members are
not expected to bioaccumulate (BCF = 46, 236, 71 and 3). Although the C8 – C13 olefins have BCFs
ranging from 659 to 748, and Kow values ranging from 4.13 to 6.59, and thus are considered to have
the potential for bioaccumulation, their physico-chemical properties and fate indicate that there
would be limited environmental exposure because of volatility, biodegradability and limited
solubility. Data indicate that acute aquatic toxicity can be observed for C6 through the C10 olefins
(C6: EC/LC50 range of 1-10 mg/L; C7-C10: EC/LC50 range of 0.1-1.0 mg/L), and that toxicity
increases with increasing carbon number within that range, which is consistent with increasing Kow
values (3.07 – 5.12). Above a chain length of 10, toxicity is not observed within the limits of
solubility. However, data indicate that chronic aquatic toxicity can be observed in the C10 olefins
(EC10 = 20.0 µg/L, EC50 = 28.1 µg/L, NOEC = 19.04 µg/L). Chronic toxicity is not expected for
C14 and higher molecular weight alpha or internal olefins, whose water solubility limits are less
than the NOEC for 1-decene. Data also suggest that aquatic toxicity does not differ with bond
location or presence of branching. Sufficient data are available to characterize the environmental
hazards of members of the Higher Olefins Category.
5
RECOMMENDATIONS
The chemicals in the Higher Olefins Category are currently of low priority for further work.
These chemicals possess hazards to human health (reversible mild skin and eye irritation; mild
respiratory tract irritation to the lower chain length members) and the environment (acute aquatic
toxicity for the C6-C10 category members and chronic aquatic toxicity for C10.) Although category
members C14 or greater have log Kow values >4.0 and are not rapidly biodegradable, they are of
low environmental hazard. They show no acute aquatic effects at their limit of solubility, and,
because they are poorly soluble, are not expected to exhibit chronic effects below the NOEC of 1decene. Based on exposure data presented by the sponsor country (four manufacturing sites within
the sponsor country which account for 47-64% of global production depending on category
member) and relating to use pattern in the sponsor country (primarily as industrial intermediates in
closed systems), this category is a low priority for further work. Countries may wish to investigate
any exposure scenarios that were not presented by the sponsor country.
Category Analysis: A large amount of data for mammalian and environmental endpoints on
members of the Higher Olefins Category and analogous substances (C6-C30 alpha and internal
olefins) indicates an increasing or decreasing trend or pattern, irrespective of location of double
bond, or presence or absence of branching, from the shortest to the longest olefin in the database for
various physico-chemical properties and ecotoxicity (using a mixture of experimental data and
estimation techniques), whereas there appears to be no critical difference across category members
for biodegradation and health endpoints. Thus, the use of data from structural analogues for readacross to members of the category is appropriate, and designation of the Higher Olefins as a
category is justified.
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REFERENCES
ACGIH (American Conference of Governmental Industrial Hygienists) (2003). 2003 TLVs® and
BEIs® Based on the Documentation of the Threshold Limit Values for Chemical Substances and
Physical Agents & Biological Exposure Indices. ACGIH.
American Chemistry Council, Higher Olefins Panel (2002). Personal communications.
Baetcke KP, Hard GC, Rodgers SI, and McGaughy RE (1990). Report of the EPA Peer Review
Workshop on Alpha 2µ –Globulin Association with Renal Toxicity and Neoplasia in the Male Rat.
U.S. Environmental Protection Agency, Washington, D.C.
Brooker AJ (1999). Toxicity study by oral gavage administration to CD rats for 13 weeks followed
by a 4-week recovery period, Project Nos. CHR/052 and CHR/053. Conducted for Chevron
Research and Technology Company (unpublished report).
Brooks, T.M. (1982) Toxicity of detergents/higher olefins: In vitro genotoxicity studies on Shop
products (olefins C11 – C12 and C13 – C14, olefin HE bleed and olefin intermediate recycle).
Sittingbourne, Shell Research Limited, SBGR.81.325 (unpublished report).
Brooks, TM, Clare, MG, Wiggins, DE (1983) Toxicity studies with detergents: Genotoxicity
studies with Olefin 103 PQ/11 (Cracked Urea Wax Olefin). Shell Research Limited, SBGR.83.299
(unpublished report).
Burghardtova, K. , B. Horvathova and M. Valachova (1984) Testing of some 1-alkenes by the
method of Ames. Biologia (Bratislava), vol. 39(11):1121-1125 (in Czech.) (unpublished report).
Cavender, F (1998). Aliphatic Hydrocarbons. In: Patty’s Industrial Hygiene and Toxicology. CDROM. Vol. 2B, Chapter 19. Edited by Clayton GD, Clayton FE, Cralley LJ, Cralley LV, Harris RL
and Bus JS. John Wiley & Sons, Inc., 1249.
Clubb S (2000). AmoDrill 1000 4-week toxicity study including neurotoxicity screening in rats
with administration by gavage. Inveresk Project Number 454729. Inveresk Report Number 17561.
Inveresk Research Tranent EH33 2NE. Scotland. Sponsor Amoco Corporation (unpublished
report).
Daniel EM (1995). Combined repeated dose toxicity study/reproduction/developmental toxicity
screening test in rats with 1-tetradecene. Conducted by Springborn Laboratories, Inc., Spencerville,
Ohio, Study No. 3325.2 for the Chemical Manufacturers Association, Alpha Olefins Panel.
Dean BJ. Shell Chemicals Europe Ltd. (1980). Toxicity Studies with Detergent Intermediates: In
Vitro Genotoxicity Studies with SHOP Process Intermediates. Shell Toxicology Laboratory
(Tunstall). Shell Report # TLGR.80.074 (unpublished report).
Di Toro DM, McGrath JA, and Hansen DH (2000). Technical basis for narcotic chemicals and
polycyclic aromatic hydrocarbon criteria. I. Water and Tissue. Environmental Toxicology and
Chemistry 19, 1951-1970.
Dotti A, Duback-Powell JR, Biderman K, and Weber K (1994). 4-Week oral toxicity (gavage)
study with 1-hexene in the rat. RCC Project 332695. Cited in HEDSET.
Durward R (1998) C20-24 Alkenes, Branched and Linear: Micronucleus Test in the Mouse,
SafePharm Laboratories Limited Project No. 703-121. Conducted for Chevron Research and
Technology Company (unpublished report).
42
UNEP PUBLICATIONS
OECD SIDS
HIGHER OLEFINS
Eide I, Hagerman R, Zahlsen K, Tareke E, Tornquist M, Kumar R, Vodicka P and Hemminki K
(1995). Uptake, distribution, and formation of hemoglobin and DNA adducts after inhalation of C2C8 1-alkenes [olefins] in the rat. Carcinogenesis. 16, 1603 - 1609.
EPIWIN (1999a). Estimation Program Interface for Windows, version unknown (used by EPA for
calculations presented in the SIAR for the C6-C14 alpha olefins approved at SIAM 11). Syracuse
Research Corporation, Syracuse, NY, USA.
EPIWIN (1999b). Estimation Program Interface for Windows, version 3.02. Syracuse Research
Corporation, Syracuse, NY, USA.
EPIWIN (2000a). Estimation Program Interface for Windows, version 3.10. Syracuse Research
Corporation, Syracuse, NY. USA.
EPIWIN (2000b). Estimation Program Interface for Windows, version 3.11. EPI Suite™ software,
U.S. Environmental Protection Agency, Office of Pollution Prevention and Toxics, U.S.A.
Exxon Biomedical Sciences, Inc. (1991a). Alkenes, C6: Microbial Mutagenesis in Salmonella:
Mammalian Microsome Plate Incorporation Assay. Conducted by Exxon Biomedical Sciences, Inc.,
East Millstone, NJ, USA (unpublished report).
Exxon Biomedical Sciences, Inc. (1991b) Alkenes, C6: In vivo Mammalian Bone Marrow
Micronucleus Assay: Oral Gavage Method. Conducted by Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).
Exxon Biomedical Sciences, Inc. (1991c) Alkenes, C6: In vivo mammalian bone marrow
micronucleus assay: inhalation dosing method. Conducted by Exxon Biomedical Sciences, Inc.,
East Millstone, NJ, USA (unpublished report).
Exxon Biomedical Sciences, Inc. (1991d). Alkenes, C8-10, C9 Rich: Microbial Mutagenesis in
Salmonella: Mammalian Microsome Plate Incorporation Assay. Conducted by Exxon Biomedical
Sciences, Inc., East Millstone, NJ, USA (unpublished report).
Exxon Biomedical Sciences, Inc. (1991e) Alkenes, C8-10, C9 Rich: In vivo Mammalian Bone
Marrow Micronucleus Assay: Oral Gavage Method. Conducted by Exxon Biomedical Sciences,
Inc., East Millstone, NJ, USA (unpublished report).
Exxon Chemical Company (1993) Alkenes, C6-8, C7 Rich: In vivo mammalian bone marrow
micronucleus assay: Oral gavage method. Conducted by Exxon Chemical Company (unpublished
report).
ExxonMobil Biomedical Sciences, Inc. 2004. Daphnia magna Reproduction Test with 1-Decene.
Conducted by ExxonMobil Biomedical Sciences, Inc., East Millstone, NJ, USA. Study # 180446
(unpublished report).
Gingell R, Bennick JE and Malley LA (1999). Subchronic inhalation study of 1-hexene in Fischer
344 Rats. Drug and Chemical Toxicology 22(3), 507-528.
Gingell R, Daniel EM, Machado M and Beven C. (2000). Reproduction/developmental toxicity
screening test in rats with orally administrated 1-hexene. Drug and Chemical Toxicology 23 (2),
327-338.
Goode, J.W. and Brecher, S. (1983a) GULFTENE 6: BALB/3T3 transformation test, Project 2072.
Sponsored by Gulf Life Sciences Institute, Pittsburg, PA (unpublished report).
Goode, J.W. and Brecher, S. (1983b) GULFTENE 12-16: BALB/3T3 transformation test, Project
2070. Sponsored by Gulf Life Sciences Institute, Pittsburg, PA (unpublished report).
UNEP PUBLICATIONS
43
OECD SIDS
HIGHER OLEFINS
Gould ES (1959). Mechanism and Structure in Organic Chemistry. Holt, Reinhart and Winston.
Gulf Life Sciences Center (1983a). Two-week repeated dose toxicity study in rats using
GULFTENE 12-16. Project No. 82-059. Conducted for Gulf Oil Chemicals Company (unpublished
report).
Gulf Life Sciences Center (1983b). Micronucleus test in mouse bone marrow: GULFTENE 6
administered by inhalation using 2 daily 2-hour treatments. Project No. 82-119 (unpublished
report).
Gulf Life Sciences Center (1983c) CHO/HGPRT Test: GULFTENE 12-16, Project 82-102.
Conducted for Gulf Oil Chemicals Company, Pittsburgh, Pennsylvania (unpublished study).
Gulf Life Sciences Center (1983d) Micronucleus Test in Mouse Bone Marrow with GULFTENE
12-16 Administered by Dermal Application for 2 Days. Gulf Oil Chemicals Company, Pittsburgh,
Pennsylvania, Sponsor (unpublished report).
Gulf Life Sciences (1984a) Hepatocyte Primary Culture/DNA Repair Test of GULFTENE 6,
project #2071 (unpublished report).
Gulf Life Sciences (1984b) Hepatocyte Primary Culture/DNA Repair Test of GULFTENE12-16,
project #2069 (unpublished report).
Hard GC, Rodgers IS, Baetcke KP, Richards WL, McGaughy RE and Valcovic LR (1993). Hazard
evaluation of chemicals that cause accumulation of alpha 2u-globulin, hyaline droplet nephropathy,
and tubule neoplasia in the kidneys of male rats. Environ. Health Perspect. 99, 313-349.
Harris JC (1982a). Rate of Aqueous Photolysis. In: Handbook of Chemical Property Estimation
Methods. Chapter 8 Edited by Lyman WJ, Reehl WF, and Rosenblatt DH. McGraw-Hill Book
Company.
Harris, J.C. (1982b) Rate of Hydrolysis. In: Handbook of Chemical Property Estimation Methods.
Chapter 7 Edited by Lyman WJ, Reehl WF, and Rosenblatt DH. McGraw-Hill Book Company.
Hazleton Laboratories America, Inc. (1982a). Neohexene: Salmonella typhimurium mammalian
microsome plate incorporation assay. Conducted by Hazleton Laboratories America, Inc., for
Phillips Petroleum Company (unpublished report).
Hoekstra WG and PH Phillips (1963). Effects of topically applied mineral oil fractions on the skin
of Guinea pigs. J. Invest. Derm. 40(2):79-88.
Huntingdon Research Center (1990a) 1-Hexene: Bacterial Mutation Assay. Sponsored by Ethyl
(unpublished report).
Huntingdon Research Center (1990b) 1-Hexene in Vitro Mammalian Cell Gene Mutation Assay
(TK+/-). Sponsored by Ethyl (unpublished report).
Huntingdon Research Center (1990c). 1-Hexene: Metaphase chromosome analysis of human
lymphocytes cultured in vitro. Sponsored by Ethyl (unpublished report).
Mackay D (1991). Multimedia Environmental Models: The Fugacity Approach. Lewis Publishers
Inc., CRC Press, 67-183.
Mackay D, Di Guardo A, Paterson S, Kicsi G, and Cowan CE (1996a). Assessing the fate of new
and existing chemicals: a five-stage process. Environ. Toxicol. Chem. 15(9), 1618-1626.
Mackay D, Di Guardo A, Paterson S, and Cowan CE (1996b). Evaluating the environmental fate of
a variety of types of chemicals using the EQC model. Environ. Toxicol. Chem. 15(9), 1627-1637.
44
UNEP PUBLICATIONS
OECD SIDS
HIGHER OLEFINS
Maynert EW, Foreman RL and Watabe T (1970). Epoxides as obligatory intermediates in the
metabolism of olefins to glycols. J. Biol. Chem, 245, 5234-5238.
McCarty LS and Mackay D (1993). Enhancing ecotoxicological modeling and assessment.
Environmental Science and Technology 27, 1719-1728.
McCarty LS, Mackay D, Smith AD, Ozburn GW, and Dixon DG (1991). Interpreting aquatic
toxicity QSARs: The significance of toxicant body residues at the pharmacologic endpoint. In:
WSAR in Environmental Toxicology - IV. Edited by Hermens JLM and Opperhuizen J. Elsevier.
Neely WB (1985). Hydrolysis. In: Environmental Exposure from Chemicals. Volume I.Edited by
Neely WB and Blau GE. CRC Press, 157-173.
NLM (2003a). TRI (Toxic Release Inventory). U.S. National Library of Medicine, Specialized
Information Services, National Institutes of Health, Department of Health and Human Services.
September 2003 (http://toxnet.nlm.nih.gov)
.NLM (2003b). Household Products Database. U.S. National Library of Medicine, Specialized
Information Services, National Institutes of Health, Department of Health and Human Services.
September, 2003. (http://toxnet.nlm.nih.gov).
OECD (2002). Manual for Investigation of HPV Chemicals, Chapter 3: Data Evaluation. OECD
Secretariat, November, 2002. Website: http://www.oecd.org/dataoecd/60/46/1947501.pdf
Oesch F (1973). Mammalian epoxide hydrases: inducible enzymes catalysing the inactivation of
carcinogenic and cytotoxic metabolites derived from aromatic and olefinic compounds. Xenobiotica
3(5), 305-340.
Ortiz de Montellano PR and Mico BA (1980). Destruction of cytochrome P-450 by ethylene and
other olefins. Molec. Pharmacol. 18, 128-135.
Pitter P and Chudoba J (1990). Biodegradability of Organic Substances in The Aquatic
Environment, CRC Press.
Research Institute of Organic Synthesis a.s (1990) Pardubice, Czech Republic, Report No. T2129
(unpublished report).
Schulte-Hermann R (1974). Induction of liver growth by xenobiotic compounds and other stimuli.
Crit. Rev. Toxicol. 3, 97-158.
Shell Development Company (1983a) In Vitro Chromosome Aberration Assay in Chinese Hamster
Cells of NEODENE 6 Alpha Olefin,
WTP-126 (unpublished report).
Shell Development Company, Westhollow Research Center (1983b) Assay of NEODENE-8 Alpha
Olefin for Gene Mutation in Salmonella typhymurium (unpublished report).
Shell Development Company, Westhollow Research Center (1983c) In Vitro Chromosome
Aberration Assay in Chinese Hamster Cells of NEODENE 8 Alpha Olefin (unpublished report).
Shell Development Company, Westhollow Research Center (1983d) Cell Transformation Assay of
NEODENE-8 Alpha Olefin in the Absence and Presence of Microsomal Activation. Performed at
Litton Bionetics, Inc., (unpublished report).
Shell Development Company (1984). In vitro destruction of hepatic cytochrome P-450 and heme
by NEODENE 6 Alpha Olefin, WRC-814 (unpublished report).
Shell Oil Company (1992a). Evaluation of primary irritation potential of Neodene 18 in humans.
Single 24 hour application. Report 92-1388-70A (unpublished report).
UNEP PUBLICATIONS
45
OECD SIDS
HIGHER OLEFINS
Shell Oil Company (1992b). Repeated insult patch test of Neodene 18 in humans. Report 92-138870B (unpublished report).
Sipes IG and Gandolfi AJ (1991). Biotransformation of toxicants. In (1991). Cassarett and Doull’s
Toxicology. 4th ed. Edited by Amdur MO, Soull J, and Klassen CD. Pergammon Press, 88-126.
SRI (2000). Chemical Economics Handbook. SRI International. Menlo Park, CA. September 2000.
SRI (2001). Chemical Economics Handbook. SRI International. Menlo Park, CA. August 2001.
Swann RL, Laskowshi DA, McCall PJ, Vander-Kuy K and Disburger HJ (1983). A rapid method
for the estimation of the environmental parameters octanol/water partition coefficient, soil sorption
constant, water to air ratio and water solubility. Residue Reviews 85, 17-28.
Thompson PW (1998). C20-24 Alkenes, Branched and Linear: Salmonella typhimurium and
Escherichia coli/Mammalian-Microsome Reverse Mutation Assay, SafePharm Laboratories Limited
Project No. 703/086. Conducted for Chevron Research and Technology Company (unpublished
report).
Thorsrud BA (2003a). A combined repeated dose toxicity study and reproduction/developmental
screening study in Sprague Dawley rats with (C6) alkenes. Report No. 3604.2. Conducted by
Springborn Laboratories, Spencerville, OH, for American Chemistry Council Higher Olefins Panel
(unpublished study).
Thorsrud BA (2003b). An oral (gavage) reproduction/ developmental toxicity screening study in
Sprague Dawley rats with (C18) Octadecenes. Report No. 3604.1. Conducted by Springborn
Laboratories, Spencerville, OH, for American Chemistry Council Higher Olefins Panel
(unpublished study).
Til HP et al. (1986). Sub-chronic (90-day) oral toxicity study with octene-1 in rats. Conducted by
Civo Institutes TNO, Report No. V86.408/251091 for DSM, Beek, the Netherlands, Project No.
B85-1091 (unpublished report).
Trent University (2004). Level I Fugacity-based Environmental Equilibrium Partitioning Model
(Version 3.00) and Level III Fugacity-based Multimedia Environmental Model (Version 2.80.1).
Environmental Modeling Centre, Trent University, Peterborough, Ontario. (Available at
http://www.trentu.ca/cemc)
US EPA (1999a). Determining the Adequacy of Existing Data. OPPT, EPA.(found at
www.epa.gov/chemrtk/guidocs.htm)
US EPA (1999b). The Use of Structure-Activity Relationships (SAR) in the High Production
Volume Chemicals Challenge Program. OPPT, EPA. (found at www.epa.gov/chemrtk/guidocs.htm)
Van Wezel AP and Opperhuizen A (1995). Narcosis due to environmental pollutants in aquatic
organisms: residue-based toxicity, mechanisms, and membrane burdens. Critical Reviews in
Toxicology 25, 255-279.
Verbruggen EMJ, Vaes WJJ, Parkerton TF and Hermens JLM (2000). Polyacrylate-coated SPME
fibers as a tool to simulate body residues and target concentrations of complex organic mixtures for
estimation of baseline toxicity. Environmental Science and Technology 34, 324-331.
Watabe T and Maynert EW (1968). Pharmacolgist 10,203 as cited in Watabe, T. and N. Yamada
(1975). The biotransformation of 1-hexadecene to carcinogenic 1,2-epoxyhexadecane by hepatic
microsomes. Biochemical Pharmacology 24, 1051-1053.
Watabe T and Yamada N (1975). The biotransformation of 1-hexadecene to carcinogenic 1,2epoxyhexadecane by hepatic microsomes. Biochemical Pharmacology 24, 1051-1053.
46
UNEP PUBLICATIONS
OECD SIDS
HIGHER OLEFINS
Wilmer, J.W.G.M. (1986) Chromosome Analysis of Chinese Hamster Ovary Cells Treated in Vitro
with 1-Octene. Conducted by Civo Institutes TNO, Report No. V 86.168/251124, for DSM, Geleen,
the Netherlands, Project No. B 85-1124 (Unpublished report).
Wright NP (1998) C20-24 Alkenes, Branched and Linear: Chromosome Aberration Test in Human
Lymphocytes In Vitro, SafePharm Laboratories Limited Project No. 703/122. Conducted for
Chevron Research and Technology Company (unpublished report).
Zahlsen K, Eide I, Nilsen AM and Nilsen OG (1993). Inhalation kinetics of C8-C10 1-alkenes and
iso-alkanes in the rat after repeated exposures. Pharmacology & Toxicology 73, 163-168.
NOTE: References for studies cited in the SIAR are included in this report. However, the SIDS Dossier provides a
comprehensive listing of references.
UNEP PUBLICATIONS
47
OECD SIDS
HIGHER OLEFINS
Annex to SIAR
Table 1
Calculated environmental fate and transport of the Higher Olefins Category members a
Chemical
WWTPb
%
removal
Distribution
fugacity level IIIc
(Constant loading)
Distribution
fugacity level Id
(Equilibrium)
Henry’s Law
Constant
(atm-m3/mole)e
Organic/carbon
partition coefficient
(Koc)
Atmospheric oxidation
T1/2
Volatilization
from water T1/2
Hexene
>99%
Air = 2.9%
Water= 90.6%
Soil= 5.8%
Sediment= <1%
Air = 100%
Water = <1%
Soil = < 1%
Sediment = <1%
0.423 (B)
0.370 (G)
0.383 (U)
149
-OH = 2.2 hrs [cis]
-OH = 1.9 [trans]
O3 = 2.1 hrs [cis]
O3 = 1.4 hrs [trans]
River = 0.9 hrs
Lake = 3.6 days
Heptene
>99 %
Air = 7.7%
Water= 79.5%
Soil= 11%
Sediment= 1.6%
Air = 100%
Water = <1%
Soil = < 1%
Sediment = <1%
0.476 (B)
0.756 (G)
0.538 (U)
275
-OH = 4.1 hrs
O3 = 22.9 hrs
River = 1.0 hrs
Lake = 3.9 days
Octene
>99 %
Air = 7.4%
Water= 69.2%
Soil= 17.4%
Sediment= 5.9%
Air = 100%
Water = <1%
Soil = < 1%
Sediment = <1%
0.632 (B)
1.07 (G)
0.667 (U)
507
-OH = 3.9 hrs
O3 = 22.9 hrs
River = 1.1 hrs
Lake = 4.2 days
Nonene
>99 %
Air = <1%
Water= 41.2%
Soil= 52.6%
Sediment= 5.2%
0.99 (B)
1.04 (G)
0.241 (U)
935
-OH = 2.0 hrs [cis]
-OH = 1.8 hrs [trans]
O3 = 2.1 hrs [cis]
O3 = 1.4 hrs [trans]
River = 1.1 hrs
Lake = 4.4 days
Decene
>99
Air = 1.3%
Water= 19.3%
Soil= 36.3%
Sediment= 43%
1.11 (B)
2.13 (G)
1.17 (U)
2.68[1-decene]
(m)
1724
-OH = 3.6 hrs
O3 = 22.9 hrs
River = 1.2 hrs
Lake = 4.7 days
48
Air = 99%
Water = <1%
Soil < 1%
Sediment = <1%
Air = 98.1%
Water= <1%
Soil=1.82%
Sediment=<1%
UNEP PUBLICATIONS
OECD SIDS
HIGHER OLEFINS
Chemical
WWTPb
%
removal
Distribution
fugacity level IIIc
(Constant loading)
Distribution
fugacity level Id
(Equilibrium)
Henry’s Law
Constant
(atm-m3/mole)e
Organic/carbon
partition coefficient
(Koc)
Atmospheric oxidation
T1/2
Volatilization
from water T1/2
Dodecene
>99%
Air = <1%
Water= 13%
Soil= 33.9%
Sediment= 52.5%
Air = 89%
Water = <1%
Soil = 10.3%
Sediment =<1%
1.96 (B)
4.25 (G)
0.475 (U)
5864
-OH = 3.3 hrs
O3 = 22.9 hrs
River = 1.3 hrs
Lake = 5.1 days
Alkenes, C1013
[values shown
are for C10 and
C13]
>99%
Air = 1.3 – <1%
Water= 19.3 – 9.8%
Soil= 36.3 – 26.8%
Sediment= 43 – 63%
Air = 98.1 – 79.9%
Water= <1%
Soil=1.82 – 19.6%
Sediment=<1%
1.11 – 2.61 (B)
2.13 – 6.00 (G)
1.17 – 0.686 (U)
1724 – 10,800
-OH = 3.6 – 3.2 hrs
O3 = 22.9 hrs
River = 1.2– 1.4
hrs
Lake = 4.7– 5.3
days
1-Hexadecene
95%
Air = <1%
Water= 7.9%
Soil= 22.4%
Sediment= 69.4%
Air = 9.6%
Water = <1%
Soil = 88.4%
Sediment = 2%
6.1 (B)
16.9 (G)
0.541 (U)
67,900
-OH = 2.9 hrs
O3 = 22.9 hrs
River = 1.5 hrs
Lake = 5.9 days
1-Octadecene
95%
Air = <1
Water= 7.9%
Soil= 22.3%
Sediment= 69.6%
Air = <1%
Water = <1%
Soil = 97.5%
Sediment = 2.2%
10.7 (B)
33.8 (G)
0.149 (U)
230,800
-OH = 2.7 hrs
O3 = 22.9 hrs
River = 1.6 hrs
Lake = 6.3 days
a
All values calculated using EPIWIN, v.3.11 (EPIWIN, 2000b), except as noted. Physico-chemical values shown in Table 2 were entered into EPIWIN program and in
Trent University fugacity calculations. Calculations used CAS number input and associated alpha olefin structures except for those for hexene and nonene which used
structures for 2-hexene and 2-nonene.
b
WWTP = Waste Water Treatment Plant
c
Level III Model, Trent University (Trent University, 2004). Partitioning reflects constant loading to air, water and soil compartments (1000 kg/hr to each). Values for
environmental half-lives were taken from EPIWIN results.
d
Level I Model, Trent University (Trent University, 2004). Partition reflects equilibrium among all compartments.
e
Henry’s Law Constant estimated using EPIWIN. Estimates are provided using Bond (B) method, Group (G) method, and User- or EPIWIN-supplied (U) vapor pressure
and water solubility.
UNEP PUBLICATIONS
49
OECD SIDS
HIGHER OLEFINS
Table2:
Health effects (SIDS endpoints) for Higher Olefins Category members and analogues/surrogatesa
Carbon
Number
Acute Toxicity
Repeated Dose
Mutagenicity In Vitro
Mutagenicity
In Vivo
Repro/Dev
C6
1-hexene and neohexene:
Oral: Rat LD50>5.6 g/kg [1hexene]; >5 g/kg [neohexene]
alkenes, C6 (internal
branched/linear stream):
Rat oral OECD 422; dosed at
0, 100, 500, 1000 mg/kg/day;
NOAEL = 1000 mg/kg/day;
NOEL = 100 mg/kg/day
(females, kidney effects); not
determined for males due to
kidney and adrenal effects.
alkenes, C6 (internal
branched/linear stream):
S. typhimurium, OECD 471,
negative with and w/out
activation
alkenes, C6 (internal
branched/linear stream)
and 1-hexene:
Mouse Bone Marrow
micronucleus, OECD
474 (inhln); negative at
0, 3.44, 34.42, 86.05 (0,
1000, 10000 and 25000
ppm) [1-hexene] and
3.64 mg/L (1057 ppm)
[Alkenes, C6]
alkenes, C6 (internal
branched /linear stream):
Rat oral OECD 422; dosed at
0, 100, 500, 1000 mg/kg/day;
NOAEL = 1000 mg/kg/day
(reproductive and
developmental toxicity)
All studies
appear in
the hexene
dossier
Inhalation: Rat LC50 (4hr) =
110 mg/L (32,000 ppm, nom)
[1-hexene]; >176 mg/L
(51,000 ppm) [neohexene]
Dermal: Rabbit LD50 >2 g/kg
[1-hexene]
1-hexene:
Rat, 90-day inhalation OECD
413; exposed to 0, 1.03, 3.44,
10.33 mg/L (0, 300, 1000,
3000 ppm); NOEL= 3.44 mg/L
(1000 ppm) (reduced
bodyweight [females] and
questionable organ weight
changes);
Rat, 28-day gavage OECD
407; dosed at 0, 10, 101, 1010,
3365 mg/kg/day; NOEL=101
mg/kg/day (kidney effects males); 1010 mg/kg/day
(gastric effects and spleen
weight – females)
Rat oral OECD 421; dosed at
0, 100, 500, 1000 mg/kg/day;
50
1-hexene:
S. typhimurium, OECD 471;
Mouse Lymphoma, OECD
476, Mammalian Cell gene
mutation ; CHO and Human
lymphocytes-Metaphase
Chromosome Analysis,
OECD 473. All negative
with and w/out activation
UDS-rat hepatocyte; OECD
482 w/out repeat assay;
Negative
BALB/3T3 transformation:
Negative
neohexene:
S. typhimurium, OECD 471
w/out repeat assay and CHO
SCE, OECD 479, negative
with and w/out activation
UNEP PUBLICATIONS
alkenes, C6 (internal
branched/linear stream):
Mouse Bone Marrow
micronucleus, OECD
474 (oral); weakly
positive at 5 g/kg
1-hexene:
Rat; OECD 421; oral dosed
at 0, 100, 500, and 1000
mg/kg/day; NOEL>1000
mg/kg/day
(reproductive/developmental
toxicity)
1-hexene:
Rat; OECD 413; 90-day
inhalation exposed to 0, 1.03,
3.44, 10.33 mg/L (0, 300,
1000, 3000 ppm); NOEL =
3.44 mg/L (1000 ppm)
(questionable increases in
testes weights)
OECD SIDS
Carbon
Number
HIGHER OLEFINS
Acute Toxicity
Repeated Dose
Mutagenicity In Vitro
Mutagenicity
In Vivo
Repro/Dev
NOEL <100 mg/kg/day for
males (kidney effects); 1000
mg/kg/day for females
C7
All studies
appear in
the heptene
dossier
alkenes, C6-8, C7 rich
(internal stream):
Inhalation: Rat, mouse and
guinea pig LC50 (6hr) >42.3
mg/L (10,533 ppm)
alkenes, C6-8, C7 rich
(internal stream):
Mouse Bone Marrow
micronucleus, EPA OTS
798.5395; (oral);
negative at 1.25, 2.5 and
5 g/kg
Dermal: Rabbit LD50 >3160
mg/kg (24 hr)
C8
All studies
appear in
the octene
dossier
1-octene and alkenes, C7-9,
C8 rich internal stream:
Oral: Rat LD50>5 g/kg [1octene]; >5g/kg [alkenes, C79, C8 rich internal stream]
Inhalation: Rat LC50 (4 hr) =
36.9 mg/L (8,050 ppm, nom)
[1-octene]; rat and mouse
LC50 (6 hr) > 31.7 mg/L
(6900 ppm) and guinea pig
LC50 (6 hr) < 31.7 mg/L
(6900 ppm) [alkenes, C7-9,
C8 rich internal stream]
Dermal: Rabbit LD50 > 1.43
g/kg (24 hr) [1-octene]; >3.16
g/kg (24 hr) [alkenes, C7-9,
C8 rich internal stream]
1-octene:
Rat, 90 day oral (gavage)
dosing at 0, 5, 50 or 500
mg/kg/day; NOEL = 50
mg/kg/day (between 50 and
500, probably only slightly
less than 500) (increased
kidney weights and decreased
plasma chloride in both sexes);
LOEL = 500 mg/kg/day
1-octene:
S. typhimurium Ames Test
and BALB/c-3T3
transformation: Negative
with and w/out activation
Two CHO chromosome
abberrations tests; one was
negative with and w/out
activation and the other had
questionable results with
activation; (aberration rate
increased approx 2-fold over
background, but no dose
response) and was negative
w/out activation.
UNEP PUBLICATIONS
51
OECD SIDS
HIGHER OLEFINS
Carbon
Number
Acute Toxicity
C9
alkenes, C8-10, C9 rich
(internal stream):
Oral: Rat LD50>2332 mg/kg
All studies
appear in
the nonene
dossier
Inhalation: rat, mice, guinea
pig LC50 (6 hr) > 11.1 mg/L
(2150 ppm)
Repeated Dose
Mutagenicity In Vitro
Mutagenicity
In Vivo
alkenes, C8-10, C9 rich
(internal stream):
S. typhimurium EPA OTS
798.5265: Negative with and
w/out activation
alkenes, C8-10, C9 rich
(internal stream):
Mouse Bone Marrow
micronucleus, EPA OTS
798.5395 (oral);
negative at doses of
1.25, 2.5 and 5 g/kg
Dermal: Rabbit LD50 >2332
mg/kg (24 hr)
C10
All studies
appear in
the decene
dossier
1-decene:
Oral: Rat LD50>10g/kg
Inhalation: Rat LC50
>saturation conc. for 1 and 4
hr exposures at saturation of
9.3 and 8.7 mg/L (1621 and
1516 ppm)
1-decene:
S. typhimurium; OECD 471;
Negative with and w/out
activation
Dermal: Rabbit LD50 >10
g/kg (24 hr)
C10-13
All studies
appear in
the alkenes,
C10-13
dossier
C10-13 internal olefins:
Oral: Rat LD50>7.74g/kg
Inhalation: Rat LC50 >2.1
mg/L (~305 ppm) (saturation
conc.) for 4 hr exposure
Dermal: Rat LD50 >3080
mg/kg (24 hr)
C10-13 internal olefins:
S. typhimurium and E. Coli
Ames Test; Negative with
and w/out activation
Chromosome aberration test
with rat liver RL1 cells:
Negative
C13 internal olefin:
Oral: LD50>5 g/kg
Dermal: Rat LD50 > 2 g/kg
52
UNEP PUBLICATIONS
Repro/Dev
OECD SIDS
HIGHER OLEFINS
Carbon
Number
Acute Toxicity
Repeated Dose
Mutagenicity In Vitro
Mutagenicity
In Vivo
C12
1-dodecene; C12, 14, 16
linear AO blend; and alkenes,
C11-13, C12 rich:
Oral: Rat LD50 >10g/kg [1dodecene]; >7.74 g/kg
[alkenes, C11-13, C12 rich
internal stream]
C12, 14, 16 linear AO blend:
Dermal: Rat; 9 applications (6
hr) over 2 wk period of 1 or 2
g/kg/day; severe irritation and
decrease in body and organ
weights seen with 2 g/kg/day;
slight irritation seen with 1
g/kg; NOAEL (systemic) = 1
g/kg/day
1-dodecene; C12, 14, 16
linear AO Blend; and C11-12
AO blend:
S. typhimurium and E.coli
Ames Test [1-dodecene];
CHO/HGPRT [C12, C14,
C16 linear AO blend]; S.
cerevisiae Mitotic Gene
conversion Assay [C11-12
AO blend]: All negative with
and w/out activation
C12, 14, 16 linear AO
blend:
Mouse Micronucleus
Bone Marrow Test
(dermal); No remarkable
clinical findingsnegative at doses of
1000, 2500 and 5000
mg/kg for 2 days
All studies
appear in
the
dodecene
dossier
Inhalation: Rat LC50 (1hr)
>9.9 mg/L (1438 ppm) [C12,
14, 16 linear AO blend]; rat,
mouse and guinea pig LC50
(6 hr) > 4.4 mg/L (639 ppm)
[alkenes, C11-13, C12 rich
internal stream]
Chromosome aberration test
with rat liver RL1 cells [1dodecene]; BALB/3T3
Mouse embryo
transformation and UDS
[C12, 14, 16 linear AO
blend]: All negative
Dermal: Rabbit LD50 > 10
g/kg (24 hr)[C12-16 AO
blend] and rat >10 g/kg (24
hr)[1-dodecene]; rabbit LD50
>2446 mg/kg (24 hr) [alkenes,
C11-13, C12 rich internal
stream]
C14
All studies
appear in
the hexadecene
dossier,
unless
otherwise
noted
Repro/Dev
C12-14 AO blend [summary
found in dodecene dossier],
C14-16 AO blend, and C12,
14, 16 linear AO blend:
Oral: Rat LD50 >10g/kg
[C12-14, C14-16 AO blends]
1-tetradecene:
Combined OECD 422; rat;
gavage dosed at 0, 100, 500 or
1000 mg/kg/day for up to 51
days. NOEL = 100 mg/kg/day
for females(liver effects); no
NOEL for males due to kidney
effects
Inhalation: Rat LC50 (1hr)
>9.9 mg/L (1438 ppm) [C12,
14, 16 linear AO blend]
C12, 14, 16 linear AO blend:
Dermal: Rat; 9 applications (6
C12, 14, 16 linear AO blend:
UDS (rat hepatocyte), CHO
HGPRT and BALB/3T3
transformation: Negative
UNEP PUBLICATIONS
C12, 14, 16 linear AO
blend:
Mouse Micronucleus
Assay (dermal);
Negative at doses of
1000, 2500 and 5000
mg/kg for 2 days.
1-tetradecene:
Rat; Modified OECD 422;
gavage at 0, 100, 500 or 1000
mg/kg/day for up to 51 days;
NOAEL (reproductive and
developmental toxicity) =
1000 mg/kg/day
53
OECD SIDS
Carbon
Number
HIGHER OLEFINS
Acute Toxicity
Dermal: Rabbit LD50 >10
g/kg (24 hr) [C12-14 and
C14-16 AO blends]
C16
All studies
appear in
the hexadecene
dossier
C16/18 internal linear and
branched:
Oral: OECD 407; rat; dosed at
0, 25, 150 or 1000 mg/kg/day
for up to 4 wks. NOAEL =
1000 mg/kg/day
Inhalation: Rat LC50 = 6.4
mg/L (693 ppm) (4hr) and
>8.5 mg/L (926 ppm) (1 hr)
[1-hexadecene]
C12, 14, 16 linear AO blend:
Dermal: Rat; 9 applications (6
hr) over 2 wk period of 1 or 2
g/kg/day; severe irritation and
decrease in body and organ
weights seen with 2 g/kg/day;
slight irritation seen with 1
g/kg; NOAEL (systemic) = 1
g/kg/day
All studies
appear in
the octadecene
dossier
54
various AO blends and C18
internal linear and branched:
Oral: Rat LD50 >10g/kg
[C14-18 AO blend, C18-26
AO blend, C18-24 AO blend]
and >5050 mg/kg [C18
internal linear and branched]
Mutagenicity In Vitro
Mutagenicity
In Vivo
Repro/Dev
1-hexadecene:
OECD 471, S. typhimurium:
Negative with and w/out
activation
1-hexadecene:
OECD 474, Mouse
Micronucleus Assay
(oral); Negative at 7.85
g/kg (only dose
administered).
C16/18 internal linear and
branched:
Oral: OECD 407; rat; dosed
at 0, 25, 150 or 1000
mg/kg/day for up to 4 wks;
NOAEL for reproductive
effects from limited data
(effect on reproductive
organs) = 1000 mg/kg/day
hr) over 2 wk period of 1 or 2
g/kg/day; severe irritation and
decrease in body and organ
weights seen with 2 g/kg/day;
slight irritation seen with 1
g/kg; NOAEL (systemic) = 1
g/kg/day
1-hexadecene and C16
internal linear and branched:
Oral: Rat LD50 >10g/kg [1hexadecene] and >5050
mg/kg [C16 internal linear
and branched]
Dermal: Rabbit LD50 >2020
mg/kg (24 hr) [C16 internal
linear and branched]
C18
Repeated Dose
C16/18 internal linear and
branched:
Oral: OECD 407; rat; dosed at
0, 25, 150 or 1000 mg/kg/day
for up to 4 wks. NOAEL =
1000 mg/kg/day
C12, 14, 16 linear AO blend:
UDS (rat hepatocyte), CHO
HGPRT and BALB/3T3
transformation: Negative
1-octadecene:
S. cervisiae Mitotic gene
conversion and S.
typhimurium and E. coli
Ames Test with and w/out
activation; Chromosome
aberration test with Rat
Liver RL1 cells: Negative
UNEP PUBLICATIONS
C12, 14, 16 linear AO
blend:
Mouse Micronucleus
Assay (dermal);
Negative at doses of
1000, 2500 and 5000
mg/kg for 2 days.
C18 internal linear and
branched:
Oral: OECD 421; rat; dosed
at 0, 100, 500 and 1000
mg/kg/day; NOAEL
(reproductive/developmental
toxicity) = 1000 mg/kg /day
OECD SIDS
Carbon
Number
C20-24
All studies
appear in
the octadecene
dossier
HIGHER OLEFINS
Acute Toxicity
Repeated Dose
Dermal: Rabbit LD50 >10
g/kg (24 hr) [C18-24 AO
blend, C18-26 AO blend] and
>2020 mg/kg (24 hr) [C18
internal linear and branched]
C18 internal linear and
branched:
Oral: OECD 421; rat; dosed at
0, 100, 500 and 1000
mg/kg/day; NOAEL (general
toxicity – limited endpoints) =
1000 mg/kg /day
C20-24 linear AO and C20-24
internal linear and branched:
Oral: Rat LD50 >5 g/kg
[C20-24 linear AO, C20-24
internal linear and branched]
and >15 g/kg [C20-24 linear
AO]
C20-24 internal linear and
branched:
OECD 408; rat gavage dosed
at 0, 100, 500 or 1000
mg/kg/day for 90 days with 4wk recovery group. NOAEL =
1000 mg/kg/day; NOEL = 100
mg/k/day for males (glucose);
NOEL = 500 mg/kg/day for
females (liver weight and
adrenal hypertrophy)
Dermal: rat LD50 >5 ml/kg
(24 hr) [C20-24 linear AO]
and >2 g/kg [C20-24 internal
linear and branched]
a
Mutagenicity In Vitro
Mutagenicity
In Vivo
Repro/Dev
C16/18 internal linear and
branched:
Oral: OECD 407; rat; dosed
at 0, 25, 150 or 1000
mg/kg/day for up to 4 wks;
NOAEL for reproductive
effects from limited data
(effect on reproductive
organs) = 1000 mg/kg/day
C20-24 internal linear and
branched:
S. typhimurium and E. coli
OECD 471; and OECD 473
Chromosome aberrations test
with human lymphocytes:
Negative with and w/out
activation
C20-24 internal linear
and branched:
OECD 474 Mouse
Micronucleus Assay
(i.p.): Negative at doses
of 500, 1000 and 2000
mg/kg/day
C20-24 internal linear and
branched:
Oral: OECD 408; rat; dosed
at 0, 100, 500 or 1000
mg/kg/day for 90 days with a
4-wk recovery group; NOEL
for reproductive effects from
limited data (effect on
reproductive organs) = 1000
mg/kg/day
Study details and references are found in the robust summaries in the dossiers.
UNEP PUBLICATIONS
55
OECD SIDS
HIGHER OLEFINS
Table 2a:
Carbon
Number
C6
Irritation and sensitization data for Higher Olefins Category members and analogues/surrogatesa
Endpoint
Skin Irritation
1-hexene:
OECD 404 [except that exposure was 24 hrs,
occlusive dressing was used and skin was
evaluated only at 24 and 72 hrs]; rabbit; Draize
score = 0.975/8
Eye Irritation
1-hexene:
OECD 405 [3 male and female unwashed, 3
male washed]; rabbit; Max individual animal
Draize (1 hr) = 8/110
Max. Avg Draize (1 hr) = 5.0/110 (unwashed)
Max. Avg Draize (1 hr) = 5.3/110 (washed)
OECD 404; rabbit; Draize = 0; not an irritant
C6-8 internal olefins:
OECD 404; rabbit; semi-occlusive; very slight
to slight erythema and edema (max. score = 2
at 48 hrs)
C7
56
alkenes, C6-8, C7 rich:
Rabbit; 24 hr exposure, abraded skin, occlusive
dressing; at 200 mg/kg, max. scores were 2.0
for erythema and 1.5 for edema (cleared by day
14); at 3160 mg/kg, max. scores were 3.0 for
erythema and 2.3 for edema (persisted to day
14); irritant under these extreme testing
conditions
Sensitization
1-hexene:
OECD 406 – Buehler; guinea pig;
negative
C6-8 internal olefins:
OECD 406 – Magnusson and
Kligman; guinea pig; negative
C6-8 internal olefins:
OECD 405 [3 rabbits]; scores for redness at 24
hr = 2, 1, 1; at 48 hr = 1 ,0, 0; at 72 hr = 0; all
other scores were zero
alkenes, C6-8, C7 rich:
Rabbit; max. total Draize score = 15
UNEP PUBLICATIONS
No data
OECD SIDS
Carbon
Number
C8
HIGHER OLEFINS
Endpoint
Skin Irritation
1-octene:
OECD 404; rabbit; PII = 4.2/8.0 (4-hr
exposure); mean 24-72 hr score = 2.28 for
erythema; max. score for edema = 1.83
OECD 404; rabbit; semi-occluded; PII =
3.42/8.0; mean 24-72 hr scores = 1.9 for
erythema and 1.1 for edema (4-hr exposure)
alkenes, C7-9, C8 rich:
Rabbit; 24 hr exposure, abraded skin; at 200
and 3160 mg/kg; severe irritation observed
Eye Irritation
1-octene:
US FHSA method; rabbit; mean Draize score
(unwashed) = 3.0/110 at 1 hr; 0.3 at 24 hr; 0.0
thereafter; (washed) = 4.7/110 at 1 hr , 0.0
thereafter
alkenes, C7-9, C8 rich:
Rabbit; max. total Draize score = 4; conjunctival
irritation cleared by 24 hr
Sensitization
1-octene:
Buehler; guinea pig; negative
C6-8 internal olefin:
Magnusson and Kligman; guinea pig;
negative
C6-8 internal olefin:
OECD 405; rabbit; very slight to slight
conjunctival irritation cleared by 72 hr
C9
alkenes, C8-10, C9 rich:
Rabbit; 24 hr exposure, occlusive dressing; at
73.8, 233, 738 and 2332 mg/kg; mild erythema
observed
alkenes, C8-10, C9 rich:
Rabbit; max. total Draize score = 6; mild
conjunctival irritation cleared by 24 hr
No data
C10
1-decene:
OECD 404; rabbit; semi-occluded; PII =
3.67/8.0; mean 24-72-hr scores = 2.0 for
erythema and 1.7 for edema (4-hr exposure
1-decene:
OECD 405; rabbit; mean Draize score = 0.7/110
at 24 hr; 0.3 at 48 hr; 0 at 72 hr; max. individual
score = 2/110 at 24 hr
No data
US TSCA 40 CFR 798.4470; rabbit; occluded;
irritation persisted at day 7 in 4/6 animals; PII
= 5.3
Rabbit; Draize score = 0.0; mean 24-72-hr scores
for corneal opacity, iritis, conjunctival redness,
and conjunctival chemosis were 0, 0, 0.2, and 0,
respectively
C13 internal olefin:
US TSCA C40 CFR 798.4470; rabbit;
occluded; PII = 3.5/8.0
C10-13 internal olefins:
Rabbit; mean Draize score = 0.9/110 at 24 hr;
0.1 at 48 hr; 0 at 72 hr
C10-13
UNEP PUBLICATIONS
C10-13 internal olefins:
Magnusson and Kligman
maximization; guinea pig; negative
57
OECD SIDS
Carbon
Number
C12
HIGHER OLEFINS
Endpoint
Skin Irritation
1-dodecene:
OECD 404; rabbit; semi-occluded; PII =
4.67/8.0; mean 24-72-hr scores = 2.2 for
erythema and 2.4 for edema (4-hr exposure);
moderate to severe erythema and slight to
severe edema; reversible on day 14
alkenes, C11-13, C12 rich:
Rabbit; 24 hr exposure, occlusive dressing; at
77.4, 245, 774 and 2446 mg/kg; slight
erythema at all doses cleared by 72 hr; slight
edema at high dose which cleared by 48 hr; all
signs cleared by day 12
C16
1-hexadecene:
OECD 404; rabbit; semi-occluded; PII =
2.46/8.0; mean 24-72-hr scores = 1.3 for
erythema and 0.9 for edema (4-hr exposure)
C16-18 internal linear and branched:
OECD 404 except only 3 animals; rabbit; semioccluded; PII = 2.2/8.0; mean 24-72-hr scores
[for each animal] = 1.3, 2.0, 1.3 for erythema
and 0.0, 0.3, 0.3 for edema (4-hr exposure)
1-hexadecene:
Dermal: guinea pig; 4 exposures in 8 days;
evaluated for 20 days after first exposure;
treated site not covered or cleaned between
applications; max. score of 8/8; severely
irritating
58
Eye Irritation
1-dodecene:
Rabbit; Draize score = 2.5/110
Sensitization
C12-16 alpha olefins:
Modified Landsteiner method; guinea
pig; negative
alkenes, C11-13, C12 rich:
Rabbit; max. total Draize score =10; very slight
irritation in washed and unwashed eyes; cleared
by 24 hr
1-hexadecene:
OECD 405; rabbit; mean Draize score = 1.3/110
at 24 hr; 0.3 at 48 hr; 0 at 72 hr; mean 24-72-hr
scores for corneal opacity, iritis, conjunctival
redness, and conjunctival chemosis were 0, 0,
0.3, and 0, respectively
1-hexadecene:
Buehler; guinea pig; negative
C16-18 internal linear and branched:
OECD 405 except only 3 animals; rabbit; mean
Draize score = 2.0/110 at 24 hr; mean 24-72-hr
scores for each animal were 0 for corneal opacity
and iritis, 0.0, 0.33, 0.33 for conjunctival
redness, and 0.0, 0.33, 0.0 for conjunctival
chemosis
C12-16 alpha olefins:
Modified Landsteiner method; guinea
pig; negative
UNEP PUBLICATIONS
C16-18 internal linear and branched:
Buehler; guinea pig; negative
OECD SIDS
Carbon
Number
HIGHER OLEFINS
Endpoint
Skin Irritation
1-octadecene:
OECD 404; rabbit; semi-occluded; PII =
2.29/8.0; mean 24-72-hr scores = 1.5 for
erythema and 0.9 for edema (4-hr exposure)
C18
US EPA TSCA 40 CFR; rabbit; occluded; PII
= 3.2/8.0; mean 24-72-hr scores = 2.17 for
erythema and 0.94 for edema (4-hr exposure)
Human Patch Test; 24-hr exposure; semioccluded patch on upper arm; applications of
undiluted, 25%, 10%, 1% in mineral oil; no
irritation with dilutions; strong clinical
reactions with undiluted material
Eye Irritation
C18-24 alpha olefin:
USA 16 CFR 1500.42 method; rabbit; mean
Draize score = 4.67/110 at 24 hr; 2.0 at 48 hr; 0
at 72 hr; mean 24-72-hr scores for corneal
opacity, iritis, conjunctival redness, and
conjunctival chemosis were 0, 0, 0.50, and 0.61,
respectively
C16-18 internal linear and branched:
OECD 405 except only 3 animals; rabbit; mean
Draize score = 2.0/110 at 24 hr; mean 24-72-hr
scores for each animal were 0 for corneal opacity
and iritis, 0.0, 0.33, 0.33 for conjunctival
redness, and 0.0, 0.33, 0.0 for conjunctival
chemosis
Sensitization
1-octadecene:
Buehler; guinea pig; negative
Human Patch Test; semi-occluded
patch on upper arm; applications of
25% in mineral oil; 24-hr exposures; 9
induction exposures during 3 weeks;
challenged after 10-17 days rest;
negative
C16-18 internal linear and branched:
Buehler; guinea pig; negative
C16-18 internal linear and branched:
OECD 404 except only 3 animals; rabbit; semioccluded; PII = 2.2/8.0; mean 24-72-hr scores
[for each animal] = 1.3, 2.0, 1.3 for erythema
and 0.0, 0.3, 0.3 for edema (4-hr exposure)
a
Study details and references are found in the robust summaries in the dossiers.
UNEP PUBLICATIONS
59
OECD SIDS
HIGHER OLEFINS
Table 3
Data summary matrix for the Higher Olefins Category members
Human Health Effects
Physical
Chem.
Environmental Fate
Genetic
Genetic
Point Mut. Chrom.
SubDevelopchronic mental
Reproduc- Acute Acute
tion
Fish
Invert.
Algal
Toxicity
25264-93- RA
1 (linear)
RA
RA
RA
RA
RA
RA
RA
RA
SAR
TD
TD
CM
RA
Heptene
25339-56- RA
4 (linear)
RA
RA
RA
RA
RA
RA
RA
RA
SAR
TD
TD
CM
RA
Octene
25377-83- RA
7 (linear)
RA
RA
RA
RA
RA
RA
RA
RA
SAR
TD
TD
CM
RA
Nonene
27215-95- RA
8 (linear)
RA
RA
RA
RA
RA
RA
RA
RA
SAR
TD
TD
CM
RA
Decene
25339-53- RA
1 (linear)
RA
RA
RA
RA
RA
RA
RA
RA
SAR
TD
TD
CM
RA
Dodecene
25378-22- RA
7 (linear)
RA
RA
RA
RA
RA
RA
RA
RA
SAR
TD
TD
CM
RA
Alkenes,
C10-13
85535-87- √
1 (linear)
√
√
RA
RA
RA
√
√
RA
SAR
TD
TD
CM
√
1629-73-2 √
Hexadecene (linear)
√
√
RA
RA
RA
√
RA
√
SAR
TD
TD
CM
√
1Octadecene
√
√
RA
RA
RA
√
√
√
SAR
TD
TD
CM
√
Chemical
CAS #
Hexene
112-88-9 RA
(linear)
√
TD
CM
SAR
RA
60
Acute
Toxicity
Ecotoxicity
Adequate existing data available
Technical discussion provided
Computer Modeling conducted
Structure Activity Relationship (plus measured values where available) provided
Read-across to existing data for structural analogs (linear alpha olefins and blends of linear and branched internal olefins.
UNEP PUBLICATIONS
Photo- Hydro- Fugacity Biodeg.
deg.
lysis
OECD SIDS
HEXENE
SIDS DOSSIER
ON THE HPV CHEMICAL
HEXENE
CAS No.: 25264-93-1
Contains Robust Summaries for the Following Substances:
CAS No. 25264-93-1, Hexene
CAS No. 558-37-2, Neohexene
CAS No. 68526-52-3; Alkenes, C6
CAS No. 592-41-6, 1-Hexene
CAS No. 68526-53-4; Alkenes, C6-8, C7 rich
SHOP C68 Internal Olefin
Sponsor Country: USA
Date of submission to OECD: April 28, 2005
UNEP PUBLICATIONS
61
OECD SIDS
1. GENERAL INFORMATION
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
1.01
Substance Information
A.
CAS Number:
264-93-1
B.
Name (OECD):
Hexene
C.
Name (IUPAC):
Hexene
D.
CAS Descriptor:
Not applicable
E.
EINECS Number:
246-768-2
F.
Molecular Formula:
C6 H12
G.
Structural Formula:
Various linear or branched isomers with internal
double bonds with the basic structure of CH3CH=CH-(CH2)2-CH3
Sponsor Country:
United States of America
Lead Organisation:
Name of Lead Organisation:
Contact person:
Address:
• Street:
• Postal code:
• Town:
• Country:
• Tel:
United States of America Environmental
Protection Agency
Mr. Oscar Hernandez, Director
U.S. Environmental Protection Agency
Risk Assessment Division (7403 M)
1200 Pennsylvania Avenue, NW
20460
Washington, D.C. 20460
United States of America
(202) 564-7461
Name of Responder (Industry Consortium):
Name:
American Chemistry Council (Higher Olefins
Panel)
Mr. W. D. Anderson, Higher Olefins Panel
Manager
Contact:
Address:
• Street:
• Postal code:
• Town:
• Country:
• Tel:
• Fax:
1.02
1300 Wilson Boulevard
22209
Arlington, VA
United States of America
(703)741-5616
(703) 741-6091
Details on Chemical Category
This profile includes an evaluation of SIDS-level testing data, using a category
approach, with six individual internal olefins (C6 – C10 and C12), a C10 – 13
internal olefins blend and two linear alpha olefins (1-hexadecene and 1octadecene), all of which are monoolefins. The internal olefins are
predominantly linear, but may contain small amounts of branched materials. For
the purposes of the ICCA HPV Program, the category was defined as “Higher
Olefins.” The category designation was based on the belief that, within the C6
62
UNEP PUBLICATIONS
OECD SIDS
1. GENERAL INFORMATION
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
to C18 boundaries identified, internalizing the location of the carbon-carbon
double bond, increasing the length of the carbon chain, and/or changing the
carbon skeleton’s structure from linear to branched does not change the toxicity
profile, or changes the profile in a consistent pattern from lower to higher
carbon numbers. This expectation is supported by a large amount of existing data
for alpha and internal olefins with carbon numbers ranging from C6 to C24. The
members of the category are:
Hexene
CAS # 25264-93-1
Heptene
CAS # 25339-56-4
Octene
CAS # 25377-83-7
Nonene
CAS # 27215-95-8
Decene
CAS # 25339-53-1
Dodecene
CAS # 25378-22-7
Alkenes, C10-C13
CAS# 85535-87-1
1-Hexadecene
CAS # 629-73-2
1-Octadecene
CAS # 112-88-9
1.1
General Substance Information
A.
Type of Substance
Element [ ]; Inorganic [ ]; Natural substance [ ]; Organic [X ];
Organometallic [ ];
Petroleum product [ ]
B.
Physical State (at 20°C and 1.013 hPa)
Gaseous [ ]; Liquid [X ]; Solid [ ]
C.
Purity:
Remark:
1.2
Impurities
1.3
Additives
This substance is only manufactured and marketed as a
component of a C6-C8 Olefins distillation cut. Synonyms: C68
Olefins, SHOP C68-Internal Olefins C6-C8 Internal Olefins, I
C6-C8. The C6-C8 internal olefin blend has been reported as
comprising 1.9% C5, 43.3% C6, 21.7% C7, 31.7% C8, 1.4% C9.
None
1.4
Synonyms
Some synonyms are:
Hexene, Isomer(s)
Hexylene
Hexenes
Source:
Shell Chemicals UK Ltd. Chester
UNEP PUBLICATIONS
63
OECD SIDS
1. GENERAL INFORMATION
1.5
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Quantity
Remarks:
U.S. production volume for hexene in 2002 was 1-10 million pounds.
This information was provided by the members of the American
Chemistry Council’s Higher Olefins Panel.
Reference:
American Chemistry Council’s Higher Olefins Panel (2002)
1.6
Use Pattern
A.
General Use Pattern
Type of Use:
Category:
(a)Main
Industrial
Use in closed systems
Chemical industry – chemicals used in
synthesis
Intermediate
Use
Remarks:
(b)Main
Industrial
Use
Remarks:
B.
Intermediate in the manufacture of low
molecular weight fatty acids, mercaptans,
plasticizer alcohols, surfactants
Non-dispersive use
Chemical industry – chemicals used in
synthesis
Intermediate
Intermediate in the manufacture of low
molecular weight fatty acids, mercaptans,
plasticizer alcohols, surfactants
(c)Main
Industrial
Use
Use in closed systems
Polymers industry
Intermediate
Reference:
American Chemistry Council’s Higher Olefins
Panel (2002)
Uses In Consumer Products
Not applicable
1.7
Sources of Exposure
Source:
Remarks:
64
This product is produced commercially in closed systems and is used
primarily as an intermediate in the production of other chemicals
(including polymers). No non-intermediate applications have been
identified. Any occupational exposures that do occur are most likely
by the inhalation and dermal routes. It is a common practice to use
personal protective equipment.
In the case of dermal exposures,
protective gloves would be worn due to the mildly irritating
properties of this class of chemicals (ACC Higher Olefins Panel).
Results from modelled data suggest that on-site waste treatment
processes are expected to remove this substance from aqueous waste
streams to the extent that it will not be readily detectable in
UNEP PUBLICATIONS
OECD SIDS
1. GENERAL INFORMATION
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
effluent discharge (EPIWIN, 2000b). This substance is not on the US
Toxic Release Inventory (TRI) list (NLM, 2003). This olefin will not
persist in the environment because it can be rapidly degraded
through biotic and abiotic processes.
Reference: American Chemistry Council’s Higher Olefins Panel (2003) Personal
communication.
1.8
Additional Information
A.
Classification and Labelling
Classification
Type:
Category of danger:
R-phrases:
as in Directive 67/548/EEC
Highly Flammable, Harmful
(11) Highly flammable
(65) Harmful: may cause lung damage if swallowed
Labelling
B.
Type:
Specific limits:
Symbols:
Nota:
R-phrases:
as in Directive 67/548/EEC
no
F Xn
S-phrases:
(9) Keep container in a well ventilated place
(16) Keep away from sources of ignition – No
smoking
(33) Take precautionary measures against static
discharges
(S62) If swallowed, do not induce vomiting: seek
medical advice immediately and show this
container or label
(11) Highly flammable
(65) Harmful: may cause lung damage if swallowed
Occupational Exposure Limits
Exposure Limit Value
Type:
Value:
None established
Short Term Exposure Limit Value
Value:
C.
None established
Options For Disposal
Remarks:
Incineration, diversion to other hydrocarbon uses
UNEP PUBLICATIONS
65
OECD SIDS
1. GENERAL INFORMATION
D.
Last Literature Search
Type of search:
Date of search:
Remark:
66
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Internal and external
October 2003
Medline
IUCLID
TSCATS
ChemIDplus
AQUIRE - ECOTOX
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
2.1
Melting Point
A.
Test Substance
Identity:
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
CAS No. 25264-93-1, Hexene
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
Calculated value using MPBPWIN version 1.40, a
subroutine of the computer program EPIWIN version
3.10
Not applicable
Not applicable
Melting Point is calculated by the MPBPWIN subroutine,
which is based on the average results of the methods of
K. Joback, and Gold and Ogle, and chemical structure.
Joback's Method is described in Joback, (1982). The Gold
and Ogle Method simply uses the formula Tm = 0.5839Tb,
where Tm is the melting point in Kelvin and Tb is the
boiling point in Kelvin. EPIWIN program used the
structure for 2-hexene.
Results
Melting point
value in °C:
-120.86°C
Reliability:
(2) Reliable with restrictions. The result is
calculated data based on chemical structure as modeled
by EPIWIN.
Flag:
Key study for SIDS endpoint
References:
Joback, K.G. 1982. A Unified Approach to Physical
Property Estimation Using Multivariate Statistical
Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E.
Poling, Eds.
EPIWIN. 2000. Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
B.
TEST SUBSTANCE
Identity:
C6-C8 Internal Olefins
Method
Method/guideline followed:
GLP:
Year:
ASTM D2386
No data
No data
Test Conditions:
No data
UNEP PUBLICATIONS
67
OECD SIDS
2. PHYSICO-CHEMICAL DATA
C.
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Results
Melting point value in °C:
-50°C
Reliability:
(4) Not assignable. These data were not reviewed
for quality.
References:
Shell Chemicals UK Ltd. Chester (cited in IUCLID)
TEST SUBSTANCE
Identity:
2-Hexene
Method
Method/guideline followed:
GLP:
Year:
No data
No data
No data
Test Conditions:
No data
Results
Melting point value in °C:
D.
-141.1 to
-133°C
Reliability:
(2) Reliable with restrictions. These data were
obtained from a reliable secondary source.
References:
Lide, D.R. (ed.) (1998-1999) CRC Handbook of
Chemistry and Physics. 79th ed. Boca Raton, FL: CRC
Press Inc., p. 3-193.
TEST SUBSTANCE
Identity:
3-Hexene
Method
Method/guideline followed:
GLP:
Year:
No data
No data
No data
Test Conditions:
No data
Results
Melting point value in °C:
E.
-137.8 to
-115.4 °C
Reliability:
(2) Reliable with restrictions. These data were
obtained from a reliable secondary source.
References:
Lide, D.R. (ed.) (1998-1999) CRC Handbook of
Chemistry and Physics. 79th ed. Boca Raton, FL: CRC
Press Inc., p. 3-193.
Test Substance
Identity:
CAS No. 25264-93-1,
Hexene
Method
68
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Method/
guideline followed:
GLP:
Year:
No data
No data
No data
Test Conditions:
No data
Results
Melting point
value in °C:
-98°C
Reliability:
(2) Reliable with restrictions: The result is measured
data as cited in the EPIWIN database. These data were
not reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
2.2
Boiling Point
A.
Test Substance
Identity:
CAS No. 25264-93-1, Hexene
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10
Not applicable
Not applicable
Boiling Point is calculated by the MPBPWIN subroutine,
which is based on the method of Stein and Brown (1994).
(program used structure for 2-hexene)
Results
Boiling point
value in °C:
Pressure:
Pressure unit:
79.21°C
1013
hPa
Reliability:
(2) Reliable with restrictions. The result is
calculated data based on chemical structure as modeled
by EPIWIN .
References:
Stein, S. and R. Brown (1994) Estimation of normal
boiling points from group contributions (1994) J. Chem.
Inf. Comput. Sci. 34: 581-587.
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
UNEP PUBLICATIONS
69
OECD SIDS
2. PHYSICO-CHEMICAL DATA
B.
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Test Substance
Identity:
C6-C8 Internal Olefins
Method
Method:
GLP:
Year:
ASTM D68
No data
No data
Test Conditions:
No data
Results
Boiling point value:
74-120°C
Pressure:
No data
Remarks:
Upper value is for 90% distilled.
C.
Reliability:
(4) Not assignable.
quality.
These data were not reviewed for
References:
Shell Chemicals UK Ltd. Chester, as cited in IUCLID
TEST SUBSTANCE
Identity:
2-Hexene
Method
Method/guideline followed:
GLP:
Year:
Test Conditions:
No data
No data
No data
No data
Results
D.
Boiling point value:
Pressure:
67.9 – 68.8°C
No data
Reliability:
(2) Reliable with restrictions. Obtained from a
reliable secondary source. These data were not
reviewed for quality.
References:
Lide, D.R. (ed.) (1998-1999) CRC Handbook of
Chemistry and Physics. 79th ed. Boca Raton, FL: CRC
Press Inc., p. 3-193.
TEST SUBSTANCE
Identity:
3-Hexene
Method
Method/guideline followed:
70
No data
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
GLP:
Year:
No data
No data
Test Conditions:
No data
Results
E.
Boiling point value:
Pressure:
66.4-67.1°C
No data
Reliability:
(2) Reliable with restrictions. Obtained from a
reliable secondary source. These data were not
reviewed for quality.
References:
Lide, D.R. (ed.) (1998-1999) CRC Handbook of
Chemistry and Physics. 79th ed. Boca Raton, FL: CRC
Press Inc., p. 3-193.
Test Substance
Identity:
CAS No. 25264-93-1, Hexene
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
No data
No data
No data
No data
Results
Boiling point
value in °C:
Pressure:
Pressure unit:
65°C
1013
hPa
Reliability:
(2) Reliable with restrictions. The result is measured
data as cited in the EPIWIN database. These data were
not reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
2.3
Density
A.
Test Substance
Identity:
C6-C8 Internal Olefins
Method
Method:
ISO 3675
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2. PHYSICO-CHEMICAL DATA
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
GLP:
No data
Test Conditions:
No data
Results
Type:
Value:
Temperature (°C): 20°C
B.
density
ca. 700 kg/m3
Reliability:
(2) Reliable with restrictions. These data were not
reviewed for quality but were obtained from a reliable
source .
Reference:
Shell Chemicals UK Ltd. MSDS, Chester
Test Substance
Identity:
2-hexene
Method
Method:
GLP:
No data
No data
Test Conditions:
No data
Results
Type:
Value:
Temperature (°C): 20°C
density
0.6869 - 0.6772 g/cm3
Reliability:
(2) Reliable with restrictions. These data were not
reviewed for quality, but were obtained from a reliable
secondary source.
Reference:
Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry
and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., p.
3-193.
2.4
Vapour Pressure
A.
Test Substance
Identity:
CAS No. 25264-93-1, Hexene
Method
Method/
guideline followed:
Not reported
GLP:
Not applicable
Year:
Test Conditions:
Results
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2. PHYSICO-CHEMICAL DATA
Vapor Pressure
Value:
Temperature:
Remarks:
B.
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
230.6 hPa
25°C
Reported as 173 mm Hg (25°C)
Reliability:
(2) Reliable with restrictions. The result is measured
data as cited in the EPIWIN database. These data were
not reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
Jordan, T.E. (1954) Vapor Pressure of Organic Compounds.
New York, NY, Interscience Publisher, Inc.; EPIWIN
(2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
Test Substance
Identity:
CAS No. 25264-93-1, Hexene
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
Calculated value using the computer program EPIWIN
v. 3.10, MPBPWIN v 1.40
Not applicable
Not applicable
Vapor Pressure is calculated by the MPBPWIN subroutine,
which is based on the average result of the methods of
Antoine and Grain. Both methods use boiling point for
the calculation. The Antoine Method is described by
Lyman et al., 1990. A modified Grain Method is
described by Neely and Blau, 1985.
The calculation
used an experimental value for BP of 65 °C from EPIWIN
database.
Results
Vapor Pressure
value:
Temperature (°C ):
Remarks:
230.6 hPa
25°C
Reported as 173 mm Hg
Reliability:
(2) Reliable with restrictions. The result is
calculated data as modeled by EPIWIN using measured data
as cited in the EPIWIN database. These data were not
reviewed for quality.
References:
Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds.
(1990) Handbook of Chemical Property Estimation. Chapter
14. Washington, D.C.: American Chemical Society.
Neely and Blau (1985) Environmental Exposure from
Chemicals, Volume 1, p. 31, CRC Press.
UNEP PUBLICATIONS
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2. PHYSICO-CHEMICAL DATA
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
2.5
A.
Partition Coefficient (log10Kow)
TEST SUBSTANCE
Identity:
C6-C8 Internal Olefins
Method
Method:
GLP:
Year:
No data
No data
No data
Test Conditions:
No data
Results
B.
Log Kow:
3.4 – 4.6
Reliability:
(4) Not assignable. These data were not reviewed for
quality.
References:
Shell Chemicals UK Ltd. Chester, as cited in IUCLID
Test Substance
Identity:
CAS No. 25264-93-1, Hexene
Method
Method:
GLP:
Year:
Test Conditions:
Calculated value using the computer program EPIWIN
version 3.10, KOWWIN v 1.66
Not applicable
Not applicable
Octanol / Water Partition Coefficient is calculated by
the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995). Program used structure for 2-hexene.
Results
Log Kow:
3.07
Temperature (°C ): Not applicable
74
Reliability:
(2) Reliable with restrictions. The result was
calculated based on chemical structure as modeled by
EPIWIN.
Flag:
Key study for SIDS endpoint
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
Reference:
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Meylan, W. and P. Howard (1995) Atom/fragment
contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.
EPIWIN (2000a). Estimation Program Interface for
Windows, version 3.10. Syracuse Research Corporation,
Syracuse, NY. USA.
C.
Test Substance
Identity:
CAS No. 592-41-6, 1-Hexene
Method
Method:
GLP:
Year:
No data
No data
No data
Test Conditions:
No data
Results
Log Kow:
3.39
Temperature (°C ): No data
Reliability:
(2) Reliable with restrictions. Experimental result as
cited in the EPIWIN database. These data were not
reviewed for quality.
Flag:
Key study for SIDS endpoint
Reference:
Hansch C et al., 1995, as cited in EPIWIN (2000b).
Estimation Program Interface for Windows, version 3.11.
EPI Suite™ software, U.S. Environmental Protection
Agency, Office of Pollution Prevention and Toxics,
U.S.A.
2.6.1
A.
Water Solubility (including *Dissociation Constant).
Test Substance
Identity:
CAS No. 25264-93-1, Hexene
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
Calculated value using the computer program EPIWIN
v 3.10, WSKOW v 1.40
Not applicable
Not applicable
Water Solubility is calculated by the WSKOW
subroutine, which is based on a Kow correlation
method described by Meylan et al., 1996. The
calculation used an estimated Log Kow of 3.07 and
a melting point of -98 °C. EPIWIN used a structure
for 2-hexene to estimate Log Kow.
UNEP PUBLICATIONS
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2. PHYSICO-CHEMICAL DATA
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Results
Value(mg/L) at
temperature ( °C):
91.78 mg/L (25°C)
Reliability:
(2) Reliable with restrictions: The result was
calculated by EPIWIN using estimated data cited in
the EPIWIN database.
References:
Meylan, W., P. Howard and R. Boethling (1996)
Improved method for estimating water solubility
from octanol/water partition coefficient. Environ.
Toxicol. Chem. 15:100-106.
EPIWIN (2000a). Estimation Program Interface for
Windows, version 3.10. Syracuse Research
Corporation, Syracuse, NY. USA.
B.
Test Substance
Identity:
CAS No. 25264-93-1, Hexene
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
No data
No data
No data
Results
Value (mg/L)
at temperature (°C):
50 mg/L (20°C)
Reliability:
(2) Reliable with restrictions. Experimental result as
cited in the EPIWIN database. These data were not
reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
Baehr, A.L. (1987) Selective transport of hydrocarbons
in the unsaturated zone due to aqueous and vapor phase
partitioning . Water Resources Research 23, 1926-38;
EPIWIN. 2000. Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
2.6.2 Surface tension
No data available
2.7
Flash Point (Liquids)
Test Substance
76
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2. PHYSICO-CHEMICAL DATA
Identity:
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
C6-C8 Internal Olefins
Method
Method:
GLP:
ISO 2719
Test Conditions:
No data
Results
Value (°C):
Type of test:
-26 °C
Closed cup
Reliability:
(2) Reliable with restrictions. These data were not reviewed
for quality but were obtained from a reliable source .
Reference:
Shell Chemicals UK Ltd. Chester, as cited in IUCLID
2.8
Auto Flammability (Solids/Gases)
No data available
2.9
Flammability
Test Substance
Identity:
C6-C8 Internal Olefins
Method
Method:
GLP:
No data
No data
Test Conditions:
No data
Result:
Highly flammable
Lower flammability limit:
Upper flammability limit:
0.8% in air
6.8% in air
Reliability:
(2) Reliable with restrictions. Data were not evaluated for
quality but were obtained from a reliable source .
Reference:
2.10
Shell Chemical Company MSDS
Explosive Properties
No data available
2.11
Oxidising Properties
No data available
2.12
Oxidation-Reduction Potential
No data available
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77
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3. ENVIRONMENTAL FATE AND PATHWAYS
3.1
Stability
A.
Photodegradation
(1)
Test Substance
Identity:
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
CAS No. 25264-93-1, Hexene
Method
Method/
guideline followed:
Other: Technical discussion
Type:
GLP:
Year:
water
Not applicable
Not applicable
Test Conditions:
Not applicable
Results
Direct photolysis:
Remarks:
In the environment, direct photolysis will
not significantly contribute to the
degradation of constituent chemicals in the
Higher Olefins Category.
The direct photolysis of an organic molecule
occurs when it absorbs sufficient light energy to
result in a structural transformation (Harris,
1982a). The reaction process is initiated when
light energy in a specific wavelength range
elevates a molecule to an electronically excited
state. However, the excited state is competitive
with various deactivation processes that can
result in the return of the molecule to a non
excited state.
The absorption of light in the ultra violet (UV)visible range, 110-750 nm, can result in the
electronic excitation of an organic molecule.
Light in this range contains energy of the same
order of magnitude as covalent bond dissociation
energies (Harris, 1982a). Higher wavelengths (e.g.
infrared) result only in vibrational and
rotational transitions, which do not tend to
produce structural changes to a molecule.
The stratospheric ozone layer prevents UV light of
less than 290 nm from reaching the earth's
surface. Therefore, only light at wavelengths
between 290 and 750 nm can result in photochemical
transformations in the environment (Harris,
1982a). Although the absorption of UV light in the
290-750 nm range is necessary, it is not always
sufficient for a chemical to undergo photochemical
degradation. Energy may be re-emitted from an
excited molecule by mechanisms other than chemical
transformation, resulting in no change to the
parent molecule.
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3. ENVIRONMENTAL FATE AND PATHWAYS
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
A conservative approach to estimating a
photochemical degradation rate is to assume that
degradation will occur in proportion to the amount
of light wavelengths >290 nm absorbed by the
molecule (Zepp and Cline, 1977).
Olefins with one double bond, such as the
chemicals in the Higher Olefins category, do not
absorb appreciable light energy above 290 nm. The
absorption of UV light to cause cis-trans
isomerization about the double bond of an olefin
occurs only if it is in conjugation with an
aromatic ring (Harris, 1982a).
Products in the Higher Olefins Category do not
contain component molecules that will undergo
direct photolysis. Therefore, this fate process
will not contribute to a measurable degradative
removal of chemical components in this category
from the environment.
Reliability:
Not applicable
References:
Harris J C (1982a). Rate of Aqueous Photolysis.
Chapter 8 in: W. J. Lyman, W. F. Reehl, and D. H.
Rosenblatt, eds., Handbook of Chemical Property
Estimation Methods, McGraw-Hill Book Company, New
York, USA.
Zepp, R. G. and D. M. Cline (1977). Rates of
Direct Photolysis in the Aqueous Environment,
Environ. Sci. Technol., 11:359-366.
(2)
Test Substance
Identity:
CAS No. 25264-93-1, Hexene
Method
Method/
guideline followed:
Type:
GLP:
Year:
Calculated values using AOPWIN version 1.90,
a subroutine of the computer program EIPWIN
version 3.10 which uses a program described
by Meylan and Howard (1993). Program used
structure for 2-hexene.
air
Not applicable
Not applicable
Results
Indirect photolysis
Sensitiser (type):
Rate Constant:
Rate Constant:
Degradation % after:
OH
59.0009 E-12 cm3/molecule-sec [cis isomer]
66.6009 E-12 cm3/molecule-sec [trans isomer]
50% after 2.175 hrs (using 12-hr day and
avg. OH conc. of 1.5 E OH/cm3)[cis isomer]
UNEP PUBLICATIONS
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3. ENVIRONMENTAL FATE AND PATHWAYS
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Degradation % after:
50% after 1.927 hrs (using 12-hr day and
avg. OH conc. of 1.5 E6 OH/cm3)[trans
isomer]
Sensitiser (type):
Rate Constant:
Rate Constant:
Degradation % after:
Ozone
13 E-17 cm3/molecule-sec [cis isomer]
20 E-17 cm3/molecule-sec [trans isomer]
50% after 2.116 hrs (using avg. OH conc. of
7 E11 mol/cm3)[cis isomer]
50% after 1.375 hrs (using avg. OH conc. of
7 E11 mol/cm3)[trans isomer]
Degradation % after:
Reliability:
(2) Reliable with restrictions. The value was
calculated data based on chemical structure as
modeled by EPIWIN. This robust summary has a
rating of 2 because the data are calculated and
not measured.
Flag:
Critical study for SIDS endpoint
References:
Meylan, W.M. and Howard, P.H.
1993.
Computer
estimation of the atmospheric gas-phase reaction
rate of organic compounds with hydroxyl radicals
and ozone. Chemosphere 26: 2293-99
EPIWIN (2000a) Estimation Program Interface for
Windows, version 3.10. Syracuse Research
Corporation, Syracuse, NY. USA.
B.
Stability in Water
Test Substance
Identity:
CAS No. 25264-93-1, Hexene
Method
Method/
guideline followed:
Type (test type):
GLP: Yes [ ] No[ ]
Year:
Other – Technical Discussion
Test Conditions:
Not applicable
Results:
Not applicable
Remarks:
Hydrolysis of an organic molecule occurs when a molecule
(R-X) reacts with water (H2O) to form a new carbonoxygen bond after the carbon-X bond is cleaved (Gould,
1959; Harris, 1982b). Mechanistically, this reaction is
referred to as a nucleophilic substitution reaction,
where X is the leaving group being replaced by the
incoming nucleophilic oxygen from the water molecule.
The leaving group, X, must be a molecule other than
carbon because for hydrolysis to occur, the R-X bond
cannot be a carbon-carbon bond. The carbon atom lacks
sufficient electronegativity to be a good leaving group
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HEXENE
ID: 25264-93-1
DATE: 28.04.2005
and carbon-carbon bonds are too stable (high bond
energy) to be cleaved by nucleophilic substitution.
Thus, hydrocarbons, including alkenes, are not subject
to hydrolysis (Harris, 1982b) and this fate process will
not contribute to the degradative loss of chemical
components in this category from the environment.
Under strongly acidic conditions the carbon-carbon
double bond found in alkenes, such as those in the
Higher Olefins Category, will react with water by an
addition reaction mechanism (Gould, 1959). The reaction
product is an alcohol. This reaction is not considered
to be hydrolysis because the carbon-carbon linkage is
not cleaved and because the reaction is freely
reversible (Harris, 1982b). Substances that have a
potential to hydrolyze include alkyl halides, amides,
carbamates, carboxylic acid esters and lactones,
epoxides, phosphate esters, and sulfonic acid esters
(Neely, 1985).
The substances in the Higher Olefins Category are
primarily olefins that contain at least one double bond
(alkenes). The remaining chemicals are saturated
hydrocarbons (alkanes). These two groups of chemicals
contain only carbon and hydrogen. As such, their
molecular structure is not subject to the hydrolytic
mechanism discussed above. Therefore, chemicals in the
Higher Olefins Category have a very low potential to
hydrolyze, and this degradative process will not
contribute to their removal in the environment.
Conclusions:
In the environment, hydrolysis will not contribute to
the degradation of hexene.
Reliability:
Not applicable
References:
Gould, E.S. (1959) Mechanism and Structure in Organic
Chemistry,
Holt, Reinhart and Winston, New York, NY, USA.
Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in:
W.J. Lyman, W.F. Reehl, and D.H. Rosenblatt, eds.,
Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.
Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G.
E. Blau, eds. Environmental Exposure from Chemicals. Vol
I., pp. 157-173. CRC Press, Boca Raton, FL, USA.
C.
Stability In Soil
No data available
3.2
Monitoring Data (Environment)
No data available.
3.3
Transport and Distribution
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3. ENVIRONMENTAL FATE AND PATHWAYS
3.3.1
A.
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Transport between environmental compartments
Test Substance
Identity:
CAS No. 25264-93-1, Hexene
Method
Type:
Fugacity models, Mackay Levels I and
III
Remarks:
Trent University model used for calculations. Half-lives in
water, soil and sediment estimated using EPIWIN (EPIWIN,
2000b)
Chemical assumptions:
Molecular weight:
Water solubility:
Vapor pressure:
Log Kow:
Melting point:
Environment name:
84
50 g/m3
23060 Pa (25°C)
3.07
-98°C
EQC – standard environment
Half-life in air = 1.4 hr, half-life in water = 208 hr, halflife in soil = 208 hr, half-life in sediment = 832 hr
All other parameters were default values. Emissions for Level
I = 1000 kg. Level III model assumed continuous 1000 kg/hr
releases to each compartment (air, water and soil).
Results
estimated
Media: Air, soil, water and sediment concentrations were
Air
Water
Soil
Sediment
Remarks:
Level I
100%
<1%
<1%
<1%
Level III
2.9%
90.6%
5.8%
<1%
Since default assumptions for release estimates were used,
resulting environmental concentrations are not provided.
Conclusions:
These results indicated that hexene will partition
primarily to air under equilibrium conditions (Level I
model), but primarily to water under the assumed pattern
of chemical release (equal loading of water, soil and
air) in the Level III model.
Reliability:
(2) Valid with restrictions: Input data are calculated.
Flag:
Critical study for SIDS endpoint
References: Trent University (2004). Level I Fugacity-based Environmental
Equilibrium Partitioning Model (Version 3.00) and Level III
Fugacity-based Multimedia Environmental Model (Version
2.80.1). Environmental Modeling Centre, Trent University,
Peterborough, Ontario. (Available at
http://www.trentu.ca/cemc)
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HEXENE
ID: 25264-93-1
DATE: 28.04.2005
EPIWIN (2000b). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.
B.
Test Substance
Identity:
CAS No. 25264-93-1, Hexene
Method
3.3.2
A.
Type:
Volatilization from water
Remarks:
3.10; based on
Calculated using the computer program EPIWIN version
Results:
Half-life from a model river: 0.9375 hrs
Half-life from a model lake: 3.6 days
Reliability:
(2) Valid with restrictions: Some input data are
calculated and values supplied by EPIWIN’s experimental
database were not reviewed for quality.
References:
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
Henry’s Law Constant of 0.383 atm-m3/mole (calculated
from VP/WS), water solubility of 50 ppm and vapor
pressure of 173 mm Hg.
Distribution
Test Substance
Identity:
CAS No. 25264-93-1, Hexene
Method
Method:
Adsorption Coefficient (Koc) calculated value using the
computer program EPIWIN, PCKOC v 1.66 using the method
described by Meylan et al., 1992.
Test Conditions:
2-hexene)
Based on chemical structure (program used structure for
Results
Value:
Estimated Koc = 149
Reliability:
(2)
Reference:
Meylan, W., P.H. Howard and R.S. Boethling (1992)
Molecular topology/fragment contribution method for
predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7.
Reliable with restrictions: Value is calculated.
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
UNEP PUBLICATIONS
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B.
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Test Substance
Identity:
CAS No. 25264-93-1, Hexene
Method
Method:
Henry’s Law Constant calculated value using the computer
program EPIWIN, HENRY v 3.10
Test Conditions:
Bond and Group estimates based on chemical structure, at
25°C (program used structure for 2-hexene); VP/water
solubility estimates based on EPIWIN values of VP = 173
mm Hg and WS = 50 mg/L.
Results
Value:
Bond estimate = 0.423 atm-m3/mole
Group estimate = 0.370 atm-m3/mole
VP/Wsol estimate = 0.383 atm-m3/mole
Reliability:
(2) Reliable with restrictions: Input data were from
EIPWIN’s database and were not reviewed for quality.
Reference:
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
3.4
Aerobic Biodegradation
A.
Test Substance
Identity:
CAS No. 68526-52-3; Alkenes, C6 , internal branched
Method
Method/guideline: OECD
301F,
Ready
Respirometry Test
Biodegradability,
Manometric
Type:
GLP:
Aerobic [X ] Anaerobic [ ]
Yes
Year:
1995
Contact time:
Inoculum:
28 days
Domestic activated sludge
Test Conditions:
Activated sludge and test medium were combined prior to
test material addition. Test medium consisted of glass
distilled water and mineral salts (phosphate buffer,
ferric chloride, magnesium sulfate, and calcium
chloride).
Test vessels were 1L glass flasks placed in a waterbath
and electronically monitored for oxygen consumption.
Test material was tested in triplicate, controls and
blanks were tested in duplicate. Test material loading
was approximately 40 mg/L. [Reason for using 40 mg/L
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HEXENE
ID: 25264-93-1
DATE: 28.04.2005
instead of 100 mg/L: Substances such as this test
material typically have ThODs between 2 and 3 mg per mg
substance. Thus, the test material concentration was
adjusted for a target of 100 mg THOD/L] Sodium benzoate
(positive control) concentration was approximately 44
mg/L. Test temperature was 22 +/- 1 Deg C.
All test vessels were stirred constantly for 28 days
using magnetic stir bars and plates.
Results:
Approximately 21% biodegradation of the test material
was measured on day 28. Approximately 10% biodegradation
was achieved on day 19.
By day 14, >60% biodegradation of the positive control
was measured, which meets the guideline requirement. No
excursions from the protocol were noted.
Biodegradation was based on oxygen consumption and the
theoretical oxygen demand of the test material as
calculated using results of an elemental analysis of the
test material.
Degradation
Sample
Test Material
Na Benzoate
% Degradation*
Mean %
(day 28)
25.9, 10.5, 27.4
98.9,95.5
97.2
(day 28)
21.3
* replicate data
B.
Reliability:
(1) Reliable without restriction
Flag:
Key study for SIDS endpoint
Reference:
Exxon Biomedical Sciences, Inc. (1997) Alkenes, C6:
Ready Biodegradability: OECD 301F Manometric
Respirometry. Study #119094A. Exxon Biomedical Sciences,
Inc., East Millstone, NJ, USA (unpublished report).
Test Substance
Identity:
CAS No. 592-41-6, 1-Hexene
Method
Method/guideline: OECD 301C,
(I)
Ready Biodegradability, Modified MITI Test
Type:
GLP:
Aerobic [X ] Anaerobic [ ]
no data
Year:
no data
Contact time:
Inoculum:
28 days
Mixture from several sources in Japan that included 4
sewage plants, 3 rivers, 2 bays, and 1 lake.
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HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Test Conditions:
A mixed inoculum was developed and maintained that used
ten sources and included: return sludge from 1
industrial and 3 city sewage plants; and water from 3
rivers, 2 bays, and 1 lake, with soil from land adjacent
to these bodies of water. A filtrate from the
combination of these samples was prepared and added to
an existing culture that had been developed from the
same sources as above and maintained under aeration and
with a synthetic feed composed of glucose, peptone, and
monopotassium phosphate. The inoculum used for this
biodegradation test was removed from the mixed culture
and added to the test systems at a concentration of 30
mg of inoculum per liter of test medium. Blank and
positive controls were used per guideline. The positive
control, aniline, was added to the control vessel at a
loading rate of 100 mg/L. Test systems contained 100 mg
test substance per liter of medium. The volume of test
solution was 300 ml. Temperature of incubation: 24 26°C. Oxygen consumption was monitored using a closed
system oxygen consumption measuring apparatus from
Ohkura Electric Co., Ltd. Percent biodegradation was
calculated as a percent ratio of the biological oxygen
demand (BOD) in the test system less the BOD of the
blank control, to the calculated theoretical oxygen
demand of the added test material. When percentage
biodegradations of aniline calculated by BOD value were
beyond 40% and 60% at the 7th and 14th day,
respectively, it was concluded that the test condition
was valid.
Results:
The degree of biodegradation of the test material was 66
– 98% after 28 days.
Sample
Test Material
* replicate data
% Degradation*
(day 28)
66, 98, 67
Mean % Degradation
(day 28)
77
By day 14, >60% biodegradation of the positive control
was measured, which meets the guideline requirement. No
excursions from the protocol were noted.
Reliability:
(2) Reliable with restrictions
This study is considered valid with restrictions.
Reference compound data are not presented and the range
in biodegradation values is not less than 20% as
required in OECD guideline 301C.
86
Flag:
Key study for SIDS endpoint
Reference:
Chemicals Inspection and Testing Institute, Japan (1992)
1-Hexene: Biodegradation and Bioaccumulation Data of
Existing Chemicals Based on the CSCL Japan. Japan
Chemical Industry Ecology-Toxicology and Information
Center.
UNEP PUBLICATIONS
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
Other:
C.
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
This study was included in the dossier for 1-hexene at
SIAM 11. Additional information has been added.
Test Substance
Identity:
CAS No. 592-41-6; 1-Hexene
Method
Method/guideline: Closed-bottle test 84/449/EEC
Type:
GLP:
Aerobic [X ] Anaerobic [ ]
Yes
Year:
1985
Contact time:
Inoculum:
28 days
Activated sludge
Test Conditions:
Microorganisms were obtained from Sittingbourne Sewage
Works (UK) and prepared according to standard test
protocols. Test medium was 2 mg/L 1-hexene as emulsion
in Dobane PT sulphonate solution. Test bottles were
incubated at 21±1°C and the extent of biodegradation was
determined by measuring oxygen concentration in the
bottles at days 5, 15 and 28. Controls with no
microbial innoculum (control) and with medium plus
microbial innoculum only (blank) were included. Sodium
benzoate was used as a biodegradable substance to
demonstrate the activity of the microbial innoculum.
Results:
Approximately 22% biodegradation of the test material
was measured on day 28.
A larger amount of the
theoretical oxygen demand (45%) had been consumed in
the bottles titrated at day 15, but this was not
sufficient for the material to pass as “readily
biodegradable.” There was no inhibition of microbial
activity under the test conditions.
By day 15, >60% biodegradation of the positive control
was measured, which meets the guideline requirement.
1-Hexene was not “readily biodegradable.”
Biodegradation was based on oxygen consumption and the
theoretical oxygen demand of the test material as
calculated using the formula and molecular weight as
C6H12=84 which leads to a Theoretical Oxygen demand of
3.43 g O per g substance and Theoretical Carbon Dioxide
evolution of 3.14 g CO2 per g of test substance.
.
Degradation
Sample
Test Material
Na Benzoate
% Degradation*
Mean %
(day 28)
21, 22
87, 63
(day 28)
22
75
* replicate data
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3. ENVIRONMENTAL FATE AND PATHWAYS
D.
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Reliability:
(1) Reliable without restriction
Reference:
Shell Research Limited (1985) Shop C6 Alpha Olefins:
Assessment of Ready Biodegradability, Document
SBGR.85.111 (unpublished report).
Other:
This study was included in the dossier for 1-hexene at
SIAM 11. Additional information has been added.
An
Test Substance
Identity:
CAS No. 25264-93-1, Hexene
Method
Method/guideline: Estimated using the computer program EPIWIN v
BIOWIN v 4.00
3.10,
Type:
Aerobic
Test Conditions:
Estimates use methods described by Howard et al., 1992;
Boethling et al., 1994; and Tunkel et al., 2000.
Estimates are based upon fragment constants that were
developed
using
multiple
linear
and
non-linear
regression analyses.
Results:
Linear model prediction: Biodegrades fast
Non-linear model prediction: Biodegrades fast
Ultimate biodegradation timeframe: Days-Weeks
Primary biodegradation timeframe: Days
MITI linear model prediction: Biodegrades fast
MITI non-linear model prediction: Biodegrades fast
Reliability:
(2) Reliable with restriction:
Reference:
Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J.
Beaumann and N. Tirado (1994) Group contribution method
for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.
Results are estimated
Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M.
Meylan, A.E. Hueber, J.A. Beauman and M.E. Larosche
(1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data.
Environ. Toxicol. Chem. 11:593-603.
Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and
H. Loonen (2000) Predicting ready biodegradability in
the MITI Test. Environ. Toxicol. Chem. (accepted for
publication)
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
88
UNEP PUBLICATIONS
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3. ENVIRONMENTAL FATE AND PATHWAYS
3.5
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
BOD5, COD or ratio BOD5/COD
No data available
3.6
Bioaccumulation
Test Substance
Identity:
CAS No. 25264-93-1, Hexene
Method
Method:
BCF calculated value using the computer program EPIWIN, BCF v
2.14
Test Conditions:
Based on chemical structure and Log Kow (estimated as 3.07 by
EPIWIN using structure for 2-hexene) using methods described
by Meylan et al., 1999. Formula used to make BCF estimate: Log
BCF = 0.77 log Kow – 0.70 with no correction factor.
Results
Value:
Estimated Log BCF =
1.666 (BCF = 46.37)
Reliability:
(2)
Reference:
Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved
method for estimating bioconcentration / bioaccumulation
factor from octanol/water partition coefficient. Environ.
Toxicol. Chem. 18(4): 664-672
Reliable with restrictions: Input data was calculated.
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse, NY.
USA.
3.7
Additional Information
A.
Sewage Treatment
Test Substance
Identity:
CAS No. 25264-93-1, Hexene
Test Method:
Calculated, EPIWIN STP Fugacity Model, predicted fate in
a wastewater treatment facility.
MW = 84.16; WS = 50 mg/L; VP = 173 mmHg; Henry’s LC =
0.383148 atm-m3/mol; air-water partition coefficient =
15.6696; Log Kow = 3.07; biomass to water partition
coefficient = 235.779; temperature = 25°C
No
Secondary waste water treatment (water)
Aerobic
Input values:
GLP:
Test Medium:
Test Type:
Test Results:
Reliability:
99.34 % removed from wastewater treatment
(2) Reliable with restriction:
UNEP PUBLICATIONS
Results are estimated
89
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
Reference:
B.
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
Sewage Treatment
Test Substance
C.
Identity:
CAS No. 592-41-6, 1-Hexene
Test Medium:
Waste Water Treatment with a rotary disk contact aerator
Results:
Elimination of >99% of 1-hexene.
Reliability:
(2) Reliable with restrictions: Data were not reviewed
for qualtity.
Reference:
Verschueren, K. (1983) Handbook of Environmental Data
on Organic Chemicals, 2nd ed., Van Nostrand Reinhold
Company, New York, NY.
Other:
This study was included in the dossier for 1-hexene at
SIAM 11. Additional information has been added.
OTHER INFORMATION: MIGRATION TO GROUNDWATER
Test Substance
90
Identity:
CAS No. 592-41-6, 1-Hexene
Method:
Predicted using USEPA EPIWIN Input values: MW=84.16;
MP=-139.7C; BP=63.4C; WS=50 mg/L; VP=184 mmHg
Results:
Rate moderate to rapid
Remarks:
May be mitigated by volatilization
Reference:
EAB-IRER (1995); USEPA EPIWIN output run by
USEPA/OPPT/RAD/ECAB, 8/99.
Other:
This study was included in the dossier for 1-hexene at
SIAM 11. Additional information has been added.
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
4.1
Acute Toxicity to Fish
A.
Test Substance
Identity:
CAS No. 68526-52-3; Alkenes, C6
Method
Method/guideline: OECD 203
Test type:
Semi-static Fish Acute Toxicity Test
GLP:
Yes [X ] No [ ]
Year:
1995
Species/Strain/Supplier:
Rainbow Trout (Oncorhynchus mykiss)
Analytical Monitoring:
Exposure period:
Statistical methods:
Test Conditions:
Yes
96 hours
Trimmed Spearman-Karber Method (Hamilton, M.A. et
al. 1977. Trimmed Spearman-Karber Method for
Estimating Median Lethal Concentration in Toxicity
Bioassays. Environ. Sci. Technol. 11:714-719.)
Each test solution was prepared by adding the test
substance, via syringe, to 19.5 L of laboratory blend
water in 20 L glass carboys. The solutions were mixed
for 24 hours with a vortex of <10%. Mixing was performed
using a magnetic stir plate and Teflon coated stir bar
at room temperature (approximately 22C). After mixing,
the solutions were allowed to settle for one hour after
which the Water Accommodated Fraction (WAF) was siphoned
from the bottom of the mixing vessel through a siphon
that was placed in the carboy prior to adding the test
material. Test vessels were 4.0 L aspirator bottles that
contained approximately 4.5 L of test solution. Each
vessel was sealed with no headspace after 5 fish were
added. Three replicates of each test material loading
were prepared. Approximately 80% of each solution was
renewed daily from a freshly prepared WAF.
Test material loading levels included: 6.25, 12.5, 25,
50, and 100 mg/L, which measured 2.9, 6.6, 13.4, 16.9,
and 44.0 mg/L, respectively, and are based on the mean
of samples taken from the new and old test solutions. A
control containing no test material was included and the
analytical results were below the quantitation limit,
which was 0.2 mg/L.
Water hardness was 190-210 mg/L as CaCO3. Test
temperature was 16C (sd = 0.04). Lighting was 623 to 629
Lux with a 16-hr light and 8-hr dark cycle. Dissolved
oxygen ranged from 7.7 to 9.6 mg/L for "new" solutions
and 4.5 to 7.5 mg/L for "old" solutions. The pH ranged
from 8.2 to 8.5 for "new" solutions and 7.2 to 7.7 for
"old" solutions.
Fish supplied by Thomas Fish Co. Anderson, CA, USA; age
at test initiation = approximately 5 weeks; mean wt. at
test termination = 0.375 g; mean total length at test
termination = 3.6 cm; test loading = 0.42 g of fish/L.
The fish were slightly shorter than the guideline
suggestion of 4.0 to 6.0 cm, which were purposely
selected to help maintain oxygen levels in the closed
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ID: 25264-93-1
DATE: 28.04.2005
system. Fish size had no significant effect on study
outcome.
Results
:
96-hour LL50 = 12.8 mg/L (95% CI 10.7 to 15.3 mg/L)
based
upon loading rates.
96-hour LC50 = 6.6 mg/L (95% CI 5.4 to 8.0 mg/L) based
upon measured values of old and new solutions.
Analytical method used was Headspace Gas Chromatography
with Flame Ionization Detection (GC-FID).
Loading
Measured
Fish Total
Rate (mg/L) Conc. (mg/L)
Mortality (@96 hrs)*
Control
Control
0
6.25
2.9
0
12.5
6.6
7
25
13.4
15
50
16.9
15
100
44.0
15
* 15 fish added at test initiation
B.
Reliability:
(1) Reliable without restriction
Flag:
Key study for SIDS endpoint
References
Exxon Biomedical Sciences, Inc. (1996) Alkenes, C6:
Fish, Acute Toxicity Test. Study #119058. Exxon
Biomedical Sciences, Inc., East Millstone, NJ, USA
(unpublished report).
Test Substance
Identity:
CAS No. 592-41-6, 1-Hexene
Method
Method/guideline: 96 hour semi-static toxicity test; OECD 203; ECC C1
Test type:
semi-static
GLP:
Yes [X ] No [ ]
Year:
1991
Species/Strain/Supplier:
Oncorhynchus mykiss
Analytical Monitoring:
Yes
Exposure period:
96 hr
Statistical methods:
No data
Test Conditions:
Minimal headspace to prevent losses through evaporation
Results:
The mean measured concentration of 1-hexene in the test
media was approx 20 to 40% that of nominal
concentrations over the first 24 hours of the test but
increased to 47 to 120% for the remaining exposure
periods. Based upon mean measured concentrations of 1hexene in the test media the LC50 value was calculated to
be:
LC (24h) = 9.7 mg/L
50
92
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
LC (48h) = 5.6 mg/L
50
LC (72h) = 5.6 mg/L
50
LC (96h) = 5.6 mg/L
50
Reliability:
(2) Reliable with restrictions: Reliable laboratory but
minimal information about methods was available.
Flag:
Key study for SIDS endpoint
References:
Shell Research Limited (1991) 1-Hexene: Acute Toxicity
to Oncorhynchus mykiss, SBGR.91.252 (unpublished
report).
Other:
This study was included in the dossier for 1-hexene at
SIAM 11.
4.2
Acute Toxicity to Aquatic Invertebrates (e.g. Daphnia)
A.
Test Substance
Identity:
Remarks:
CAS No. 68526-52-3, Alkenes C6
Composition: C5 n-olefins = 0.5%, C5 iso-olefins = 1.3%,
C6 n-olefins = 10.4%, C6 iso-olefins = 55.6%, C5 nparaffins = 3.3%, C5 iso-paraffins = 9.3%, C6 isoparaffins = 17.8%, C7 iso-olefins = 1.0%
Method
Method/guideline
followed:
OECD Guideline 202, Acute Toxicity to water Fleas,
(Daphnia magna) Under Static and Sealed Vessel
Conditions
Test type:
Static
GLP:
Yes
Year:
2003
Analytical Monitoring: Yes
Species/Strain:
Daphnia magna
Exposure period:
48 hr
Statistical methods:
If at least one concentration caused
immobilization of ≥ 50% of the test population, a
computer program (TOXSTAT Version 3.5) was used to
estimate EC50 and EL50 values using several
statistical methods (e.g., probit, SpearmanKarber)
Test Conditions
TEST ORGANISMS
- Source/supplier: Obtained from laboratory cultures
maintained at Springborn Smithers Laboratory
- Feeding: Ankistrodesmus falcatus (4 x 107cells/mL),
2.0 mL per vessel/day, in addition to a 0.5 mL
suspension of yeast, cereal leaves and flaked fish food.
- Age at study initiation: Approximately 24 hr old
- Control: A test conducted on 11 February 2003
established that the 24-hr LC50 for potassium dichromate
was between 0.10 and 10 mg/L.
STOCK AND TEST SOLUTION AND THEIR PREPARATION
- A water accommodated fraction (WAF) of each loading
rate was prepared at test initiation by spiking the
UNEP PUBLICATIONS
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4. ECOTOXICITY
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ID: 25264-93-1
DATE: 28.04.2005
appropriate volume of test substance corrected for a
density of 0.6809 g/ml, via gas-tight syringe, directly
into dilution water in a 2-L Mariotte bottle. The bottle
was filled to the neck (approx. 1% volume headspace) and
the test substance was spiked below the water/air
interface and capped immediately with a silicone stopper
wrapped in aluminum foil. The solutions were placed on a
magnetic stir plate and stirred for approximately 24 hr
with minimal vortex. The WAF was maintained at room
temperature and covered with aluminum foil. Following
stirring, the contents were allowed to settle for
approximately 15 min before the WAF was removed, slowly
from the lower side-wall drain, directly into each
exposure vessel after first discarding the initial
aliquot. Care was taken to reduce volatilization during
handling. A control solution was prepared following the
same procedures except without the addition of test
substance.
DILUTION WATER
- Source: Well water fortified based on the formula for
hard water (U.S. EPA, 1975) and filtering it through an
Amberlite XAD-7 resin column to remove any potential
organic contaminants
- Hardness: 180 mg/L as CaCO3
- Alkalinity: 110 mg/L as CaCO3
- pH: 7.9
-Specific conductivity: 500 micromhos per centimeter
- Analysis for contaminants: Periodically analyzed to
ensure that pesticides, PCBs and toxic metals are not
present at concentrations that are considered toxic.
-TOC concentration: Water sampled during the month of
the study was found to have a total organic carbon
concentration of 1.2 mg/L
TEST SYSTEM
- Temperature: 20-21°C
- Dissolved oxygen concentration: 7.7 – 8.4 mg/L
- pH: 7.8 – 8.0
- Renewal of test solution: No
- Exposure vessel type: 250 mL test solution in a 250-mL
glass Erlenmeyer flask with Teflon®-lined screw caps;
minimal headspace
- Number of replicates/individuals per replicate: 5 / 5
- Intensity of irradiation: 60-80 footcandles
- Photoperiod: 16h:8h light-dark cycle
TEST PARAMETER: Immobilization relative to the control
(defined as inability to swim within 15 seconds after
gentle agitation of test container
MONITORING OF TEST SUBSTANCE CONCENTRATION: Measured by
HPLC/UV at test initiation and termination
DEVIATIONS FROM GUIDELINE: The guideline states that the
daphnids will be <24 hr old at initiation of the test.
The maximum age of the daphnids in this study was 24.5
hrs. Most daphnids were less than 24 hr old. The 2
range-finding studies used daphnids less than 24 hrs old
and those results corroborated the results of the
definitive test, demonstrating that the deviation did
not impact the sensitivity of the definitive exposure.
Results
Nominal conc.:
94
6.7, 14, 27, 54, 110 mg/L (nominal loading rates)
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Measured conc.:
0.34, 2.4, 6.7, 12 and 19 mg/L
EL50:
EC50:
concentrations)
20 mg/L at 48 hrs (using nominal loading rates)
4.4 mg/L at 48 hrs (using geometric mean measured
Remarks:
PRELIMINARY TEST: Daphnids were exposed under static
conditions to WAFs at nominal loading rates of 0.50,
2.0, 5.1 and 20 mg/L. At 48 hrs, no immobilization or
adverse effects were observed in any of the loading
rates or the control. At test initiation and test
termination, measured concentrations of the lowest
loading rate were below detectable limits, and measured
concentrations of the highest loading rate at test
initiation and termination were 2.2 and 0.82 mg/L
respectively. Based on these results, further
exploratory work was conducted to determine the optimal
procedures and loading rates for the definitive study.
DEFINITIVE TEST: Following 48 hrs of exposure, 100%
immobilization was observed among daphnids exposed to
the 3 highest treatments (nominal loading rates of 27,
54 and 110 mg/L). Immobilization of 5% was observed at
14 mg/L nominal loading rate. Adverse effects (e.g.,
lethargy, on the bottom of the test vessel) were
observed in all mobile daphnids exposed to this
concentration. No immobilization or adverse effects were
observed at the nominal loading rate of 6.7 mg/L or the
control.
Reliability:
B.
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References
Hoberg, J.R. (2003) C6 Hexene – Acute Toxicity Test
with the Water Fleas, Daphnia magna, Under Static and
Sealed Vessel Conditions. Study No. 13761.6114,
Springborn Smithers Laboratories, Wareham,
Massachusetts, conducted for American Chemistry Council
(Higher Olefins Panel) (unpublished report).
Test Substance
Identity:
CAS No. 592-41-6, 1-Hexene (approx. 99%)
Method
Method/guideline: 48-hr static toxicity test
Test type:
Static
GLP:
Yes [ ] No [X ]
Year::
1985
Analytical Monitoring: No
Species/Strain:
Daphnia magna
Exposure period:
48 hrs
Statistical methods:
The LC50 values were calculated by means of a
parametric model developed by Kooijman [Kooijman,
S.A.L.M. (1981) Parametric analyses of mortality
rates in bioassays. Water Res. 15:105-119.]
UNEP PUBLICATIONS
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4. ECOTOXICITY
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Test Conditions:
Test media were prepared by adding test material to 500
ml of fresh water (pH ~8, hardness ~210 mg CaCO3 per
liter) and stirring for 4 hr before adding test animals
(25/glass beaker covered with a watch glass or glassstoppered conical flask; 20 °C; no aeration, food,
replicate or media renewal). The test animals were less
than 24 h old at the start of the test. At none of the
dose levels was test substance visible during the test
period. pH and oxygen were monitored. During the test,
oxygen concentration was >70% of saturation level.
Results:
Nominal concentrations were 0, 3.2, 10, 32, 100 mg/l.
48 hr EL50 for beaker covered with watch glass = (est.)
60 mg/l;
NOEC after 48 hr = 32 mg/l (nominal)
48 hr EL50 for stoppered flask =
(est.) 30 mg/l;
NOEC after 48 hr = 10 mg/l (nominal)
Reliability
(2) Reliable with restrictions.
Study does not totally comply with current testing
guidelines. No chemical analyses were performed.
References:
Adema, D.M.M. and Bakker, G.H. (1985) Aquatic toxicity
of compounds that may be carried by ships
[MARPOL
1973; Annex II]. TNO report R 85/217, The Hague
(unpublished report).
Other:
This study was included in the dossier for 1-hexene at
SIAM 11. Additional information has been added.
4.3
Toxicity to Aquatic Plants (e.g. Algae)
A.
Test Substance
Identity:
CAS No. 68526-52-3, Alkenes C6
Remarks:
C5 n-olefins = 0.5%, C5 iso-olefins = 1.3%, C6 n-olefins
= 10.4%, C6 iso-olefins = 55.6%, C5 n-paraffins = 3.3%,
C5 iso-paraffins = 9.3%, C6 iso-paraffins = 17.8%, C7
iso-olefins = 1.0%
Method
Method/guideline: OECD 201, Alga, Growth Inhibition Test
Test type:
static
GLP:
Yes [X ] No [ ]
Year:
2003
Analytical Monitoring: yes
Species/Strain:
Pseudokirchneriella subcapitata
Element basis:
Number of cells/mL, area under the curve, growth
rate
Exposure period:
96 hrs
Statistical methods:
Cell density was calculated by dividing the number
of cells counted by the number of fields examined.
Growth rate and biomass (area under the growth
curve) for each replicate vessel were calculated
using formulas recommended in the OECD 201 testing
guideline. EC values and their 95% confidence
96
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4. ECOTOXICITY
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ID: 25264-93-1
DATE: 28.04.2005
limits were determined by linear regression of
response versus exposure concentration expressed
as nominal loading rate and geometric mean
measured concentration over the range of test
concentrations, using the computer program,
Toxstat (Gulley, D.D., A.M. Boetler, and H.L.
Bergman (1966) Toxstat Release 3.5. University of
Wyoming, Laramie, Wyoming). To determine the NOEC,
the data were first checked for normality using
Shapiro-Wilks’ Test and, for homogeneity of
variance using Bartlett’s Test. If the data sets
passed the test for homogeneity and normality,
William’s Test (Williams, D.A. [1971] A test for
differences between treatment means when several
dose levels are compared with a zero dose control.
Biometrics 27:103-117; [1972] A comparison of
several dose levels with a zero control.
Biometrics 28:519-531) was used to determine the
NOEC. All statistical determinations were made at
the 95% level of certainty, except in the case of
Shapiro-Wilks’ and Bartlett’s Tests, where the 99%
level of certainty was applied.
Test Conditions : TEST ORGANISMS
- Strain: 1648 obtained from the University of Texas,
Austin, TX, USA.
- Initial cell concentration: 1.0 x 104 cells/mL
STOCK AND TEST SOLUTION AND THEIR PREPARATION
- A water accommodated fraction (WAF) of each loading
rate was prepared l day prior to test initiation by
adding the appropriate weight of test substance via gastight syringe, directly into the test medium containing
an additional 300 mg/L of sodium bicarbonate. Each WAF
was contained in a 2.2L Mariotte bottle filled to 99%
total volume, capped with stoppers covered in aluminum
foil, placed on a magnetic stir plate and stirred for
approximately 24 hr with minimal vortex. The WAF was
maintained at room temperature and covered with aluminum
foil to avoid photodegradation during mixing. Following
stirring, the contents were allowed to settle for
approximately 15 minutes before the WAF was removed from
the drain (lower side wall) directly into the exposure
vessels. A control solution was prepared following the
same procedures except without the addition of test
substance.
GROWTH/TEST MEDIUM CHEMISTRY
- Stock solution contained (per liter): 25.5 mg NaNO3,
12.16 mg MgCl2•6H2O, 4.41 mg CaCl2•2H2O, 14.7 mg
MgSO4•7H2O, 1.368 mg K2HPO4•3H2O, 15.0 mg NaHCO3, 185.5
µg H3BO3, 1.88 µg Na2SeO4, 415.4 µg MnCl2•4H2O, 3.270 µg
ZnCl2, 1.43 µg CoCl2•6H2O, 0.012 µg CuCl2•2H2O, 7.26 µg
Na2MoO4•2H2O, 159.8 µg FeCl3• 6H2O, 300.0 µg
Na2EDTA•2H2O.
DILUTION WATER
Sterile deionized laboratory water, which is
periodically analyzed to ensure that pesticides, PCBs
and toxic metals are not present at concentrations that
are considered toxic. Water sampled during the month of
the study was found to have a total organic carbon
concentration of 0.74 mg/L
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4. ECOTOXICITY
Method :
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
TEST SYSTEM
- Exposure vessel type: 45 mL medium in 45 ml volatile
organic analysis vial closed with screw cap; zero
headspace
- Number of replicates: triplicate
- Nominal loading rates: 3.2, 6.9, 14, 27, 54 and 110
mg/L
- Test temperature: 23-24 °C
- pH: 8.3 at start and 9.6 – 10.0 at end of the test
- Intensity of irradiation: 590 – 890 footcandles (6400
– 9600 lux)
- Photoperiod: continuous
- Shaking: 100 rpm
MONITORING OF TEST SUBSTANCE CONCENTRATION: at test
initiation; 24 and 72 hrs of exposure; and end of test
(96 hr)
DEVIATIONS FROM GUIDELINE: none reported
ANALYTICAL METHODS: HPLC/UV
Results:
Nominal conc.:
Measured conc.:
3.4, 6.9, 14, 27, 54, and 110 mg/L (mass of test
substance per water volume used in WAF preparation)
0.23, 1.8, 1.8, 6.3 3.6 and 5.5 mg/L (geometric mean)
EC50 (cell density):
84 mg/L (74-98) mg/L (96 h, nominal loading rate)
4.6 (4.3-5.0) mg/L (96 h, measured concentration)
NOEC (cell density):
EbC50 (biomass):
14 mg/L (96 h, nominal loading rate)
1.8 mg/L (96 h, measured concentration)
92 mg/L (25-110) mg/L (72 h, nominal loading rate)
4.9 (3.8-6.2) mg/L (72 h, measured concentration)
79 mg/L (66-88) mg/L (96 h, nominal loading rate)
4.5 (4.0-4.8) mg/L (96 h, measured concentration)
NOEC (biomass):
3.4 mg/L (72 h and 96 h, nominal loading rate)
0.23 mg/L (72 h and 96 h, measured concentration)
ErC50 (growth rate):
>110 mg/L (72 h and 96 h, nominal loading rate)
>5.5 mg/L (72 h and 96 h, measured concentration)
NOEC (growth rate):
3.4 mg/L (72 h) and 14 mg/L (96 h) (nominal
loading rate)
0.23 mg/L (72 h) and 1.8 mg/L (96 h) (measured
concentration)
Remarks:
98
- Cell density data: The 96-hr cell density in the
control averaged 223 x 104 cells/mL. Cell densities in
the 3.4, 6.9, 14, 27, 54, and 110 mg/L loading rates
averaged 217, 193, 205, 132, 143 and 89 x 104 cells/mL,
respectively.
- Cell biomass data: The 0- to 72-hr biomass in the
control averaged 99.5 x 104 cells•days/mL. Biomass in
the 3.4, 6.9, 14, 27, 54 and 110 mg/L loading rates
averaged 104.2, 75.3, 81.8, 52.4, 58.7 and 48.8 x 104
cells•day/mL, respectively. The 0- to 96-hr biomass in
the control averaged 270.9 x 104 cells•days/mL. Biomass
in the 3.4, 6.9, 14, 27, 54 and 110 mg/L loading rates
averaged 273.7, 210.1, 220.0,141.0, 162.1 and 117.3 x
104 cells•day/mL, respectively.
- Growth rate data: The 0- to 72-hr growth rate in the
control averaged 1.57 days-1. The 0- to 72-hr growth rate
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
in the 3.4, 6.9, 14, 27, 54 and 110 mg/L loading rates
averaged 1.57, 1.42, 1.40, 1.26, 1.36 and 1.27 days-1,
respectively. Statistical analyses determined
significant reductions in the 0- to 72-hr growth rates
at ≥ 6.9 mg/L loading rate. The 0- to 96-hr growth rate
in the control averaged 1.33 days-1. The 0- 96-hr growth
rate in the 3.4, 6.9, 14, 27, 54 and 110 mg/L loading
rates averaged 1.32, 1.29, 1.31, 1.20, 1.22 and 1.10
days-1, respectively. Statistical analyses determined
significant reductions in the 0- to 96-hr growth rates
at ≥ 27 mg/L loading rate.
B.
Reliability:
(1) Reliable without restrictions.
Flag:
Key study for SIDS endpoint
References:
Hoberg, J.R. (2003) C6 Hexene – Toxicity to the
freshwater green alga,
Pseudokirchneriella subcapitata, Study No. 13761.6113,
Springborn Smithers Laboratories, Wareham,
Massachusetts, conducted for American Chemistry Council
(Higher Olefins Panel) (unpublished report).
TEST SUBSTANCE
Identity:
CAS No. 592-41-6, 1-Hexene (Shop C6 Linear Alpha Olefin,
>96% purity)
Method
Method/guideline: 4-day growth experiment
Test type:
static
GLP:
Yes [X ] No [ ]
Year:
1985
Analytical Monitoring:
Species/Strain:
Selenastrum capricornutum
Element basis:
Exposure period:
96 hrs
Statistical methods:
Test Conditions : S.capricornutum was taken from the axenic laboratory
culture.
The culture is derived from a strain
(ATCC22662) obtained from the American Type Culture
Collection, Maryland, USA. Sixteen Erlenmeyer flasks
containing 50 ml of culture medium were prepared. To
ten of those were added quantities of stock solutions of
the 1-hexene in Analar acetone to give an approximately
logarithmically spaced series of concentrations ranging
from 1.0 to 1000 mg/L . The remaining six flasks
received no olefin and served as controls. The
concentration of acetone in all test flasks, including
the controls, was adjusted to 0.1 ml/L. Each flask was
inoculated with sufficient S.capricornutum to give an
initial concentration of 500 cells. The flasks were
incubated in a cooled, orbital incubator (100 cycles
min) under constant illumination (3000 lux) at 22-260 C
for 4 days. After 2 and 4 days incubation cell counts
were made using a Coulter counter. The pH of the test
solutions during the test was 7.1-7.5.
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ID: 25264-93-1
DATE: 28.04.2005
Results:
EC50 (96h) = >1000 mg/L (nominal concentration) (author
assigned)
EC50 (96h) = > solubility
EL0 (96h) = >22 mg/L (see remarks)
Remarks:
The highest nominal concentration of 1-hexene tested,
1000 mg/L, did not cause reduction in cell numbers at
day 4 compared to the mean cell number at day 4 in the
controls.
Upon review of the study, it was noted that five
concentrations were tested above the water solubility of
Shop C6 Alpha Olefin (1-hexene). In light of those
concentrations being above the water solubility it was
determined to assign the EL0 (96h) with a value of > 22
mg/L. 22 mg/L was the highest nominal concentration
below the water solubility at which the substance was
tested. EL0 = effect loading based on WAF testing
procedure; no effect observed at the highest loading
indicated.
Reliability:
(2) Reliable with restrictions. Study does not totally
comply with current testing guidelines. No chemical
analyses were performed.
References:
Shell Research Limited (1985) Shop C6 Linear Alpha
Olefins (1-Hexene); Acute Toxicity (Salmo gairdneri,
Daphnia
magna and Selenastrum capricornutum) and N-Octanol/Water
Partition Coefficient, SBGR.85.026 (unpublished
report).
Other:
This study was included in the dossier for 1-hexene at
SIAM 11. Additional information has been added.
4.4
Toxicity to Micro-organisms, e.g. Bacteria
A.
Test Substance
Identity:
CAS No. 592-41-6, 1-Hexene
Method
Method:
According to 79/931/EEC, Annex V “Degradability, Ecotoxicity,
and Bioaccumulation, TNO, Delft, The Netherlands, 1977.
Yes
Pseudomonas fluorescens
GLP:
Species:
Exposure
Period:
6 hr
Analytical
Monitoring: No data
Conditions: Test substance was dissolved in ethanol to give a stock
solution containing 500g/l of SHOP C6 linear alpha olefin.
Dilutions of this solution in test medium were made such that
the final concentrations of SHOP C6 in the test were 1000,
100
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4. ECOTOXICITY
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
320, 100, 32, and 10 mg/l. Sodium pentachlorophenate was used
as a standard inhibitory substance. Controls containing the
microbial inoculum and no inhibitory substances were used to
assess the logarithmic growth rate of the organisms under noninhibitory conditions. Growth curves were constructed of the
optical density of the inoculated media versus time and the
rate determined as the slope of the exponential growth phase.
% inhibition = growth rate control- growth rate test x 100
growth rate control
Results:
Maximum inhibition was 24% at 1000 mg/L
Remarks:
The standard substance, sodium pentachlorophenate, inhibited
with an EC50=30 mg/l while the test substance SHOP C6 caused a
maximum inhibition of 24% at 1000 mg/l.
Reliability:
Reference:
Shell Research Limited (1985) Shop C6 Alpha Olefins: An
Assessment of Ready Biodegradability, Document SBGR.85.111
(unpublished report).
Other:
SIAM 11.
B.
(1) Reliable without restrictions.
This study was included in the dossier for 1-hexene at
Test Substance
Identity:
CAS No. 592-41-6, 1-Hexene; CAS No. 111-66-0, 1-Octene;
CAS No. 872-05-9, 1-Decene; CAS No. 1120-36-1, 1Tetradecene (Analytical Grade)
Method
Method
:
Acute static bioassay
GLP:
No
Type:
Aquatic
Species:
Thirteen marine bacteria
Exposure Period: 16 hours
Analytical Monitoring: No data
Test Conditions:
Water samples collected from Cleveland and Victoria
Point on the Brisbane coast, southeastern Queensland,
Australia, were cultured on marine salts medium
solidified with 1.5% agar. Thirteen different marine
bacteria were isolated and transferred to new media.
This culture was maintained at 30°C and subcultured
weekly. The test articles were dissolved in ethanol and
added to media (maximum 0.1 ml in 50 ml). 0.1 mg of
bacterial culture containing 8 x 1010 bacteria per ml
was added. Each experiment was performed in triplicate.
Controls consisting of bacteria inoculated into the
medium, without test compounds, both with and without
ethanol were run simultaneously. Absorbance at 600 nm
was determined, followed by incubation without shaking
at 30°C. After 16 hours, the absorbance was remeasured
and the differences were calculated and expressed as a
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percentage of the difference in absorbance of the
control. These data were then converted to Probit units
and least-squares linear regression equation against
toxicant concentration was obtained. From these
regression equations, the effective concentration of the
test compound that inhibits bacterial growth by 50 and
/or 10% (EC50 and EC10, respectively) was determined.
Results:
Only 1-hexene exerted a toxic effect [log EC10 = -0.49];
however, the calculated log EC50 was 0.46, indicating a
value >100% saturation in sea water. The other 1-alkenes
were not toxic up to levels of 100% saturation.
Reliability:
(1) Reliable without restrictions
Reference:
Warne, M. St. J. Connell, D.W., Hawker, D. W., and G.
Schuurmann (1989) Quantitative Structure-Activity
Relationships for the Toxicity of Selected Shale Oil
Components to Mixed Marine Bacteria. Ecotoxicology and
Environmental Safety, 17: 133-148.
Other:
This study was included in the dossiers for 1-hexene and
1-tetradecene at SIAM 11. Additional information has
been added.
4.5
Chronic Toxicity to Aquatic Organisms
A.
Chronic Toxicity to Fish
Test Substance:
CAS No. 25264-93-1, hexene
Method/Guideline:
Type (test type): 30-day Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000b)
Species:
Fish
Test Conditions:
The program uses structure-activity relationships (SARs)
to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 3.07, which was estimated by EPIWIN using the
structure for 2-hexene.
Results:
Units/Value:
Flag:
102
Estimated 30-day ChV = 942 µg/L
Key study for SIDS endpoint
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OECD SIDS
4. ECOTOXICITY
B.
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Reliability:
(2) Reliable with restrictions. The result is calculated
data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
Chronic Toxicity to Aquatic Invertebrates
Test Substance:
CAS No. 25264-93-1, hexene
Method/Guideline:
Type (test type): 16-day EC50 value calculated using the computer program
ECOSAR, version 0.99g included in the EPI Suite
software, v 3.11 (EPIWIN, 2000b)
Species:
Daphnia magna
Test Conditions:
The program uses structure-activity relationships (SARs)
to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 3.07, which was estimated by EPIWIN using the
structure for 2-hexene.
Results:
Units/Value:
Flag:
Estimated 16-day EC50 = 582 µg/L
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is calculated
data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
4.6
Toxicity to Terrestrial Organisms
A.
Toxicity to Terrestrial Plants.
Test Substance:
CAS No. 25264-93-1, hexene
Method/Guideline:
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HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Type (test type): 96-hr Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000b)
Species:
Green algae
Test Conditions:
The program uses structure-activity relationships (SARs)
to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 3.07, which was estimated by EPIWIN using the
structure for 2-hexene.
Results:
Units/Value:
Flag:
B.
Estimated 96-hr
ChV = 876 µg/L
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is calculated
data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
Toxicity to Soil Dwelling Organisms.
No data available
C.
Toxicity to Other Non Mammalian Terrestrial Species (including Avian)
No data available
4.7
Biological EffectsMonitoring (including Biomagnification)
No data available
4.8
Biotransformation and Kinetics
No data available
104
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ID: 25264-93-1
DATE: 28.04.2005
5.1
Toxicokinetics, Metabolism and Distribution
A.
Test Substance:
CAS No. 592-41-6, 1-Hexene (NEODENE 6 alpha olefin)
Method
Test Type
GLP
Year
In-vitro
No
1984
Method:
Shell Protocol 61, using Biuret reagent
Test Conditions:
Microsomes were prepared from livers of adult, male
Fischer-344 rats, approximately 225 grams, pretreated
with Phenobarbital. Incubations were carried out in
sealed serum bottles. Reaction mixtures contained:
microsomal protein (1mg/ml), KCl (150 mM), EDTA (1.5
mM), Na/K phosphate buffer (0.1M, pH 7.4), 1-hexene in
ethanol (0.1-4mM)
Results:
NEODENE 6 alpha olefin (1-hexene) was tested in an in
vitro system and was demonstrated to cause the
autocatalytic ("suicidal") destruction of cytochrome
P-450 and heme in hepatic microsomes from phenobarbital
pretreated rats. The destructive process was time
dependent, saturable and required NADPH. Destruction
was inhibited by metyrapone and carbon monoxide but not
by glutathione. Reduced oxygen tension did not prevent
the loss of cytochrome P-450. NEODENE 6 alpha olefin
was shown to be a substrate for cytochrome P-450 by its
binding spectrum to the cytochrome.
Reliability:
B.
(1) Reliable without restriction
Reference:
Shell Development Company (1984)
In vitro
Destruction of Hepatic Cytochrome P-450 and Heme by
NEODENE 6 Alpha Olefin, WRC-814, (unpublished report).
Other:
This study was included in the dossier for
1-hexene at SIAM 11. Additional information has been
added.
Test Substance:
CAS No. 592-41-6, 1-Hexene
Method
Test Type:
GLP
Year
In vivo
No data available
1995
Method:
Some olefins have been shown to be metabolized to
epoxides. For example, ethylene and propylene have been
shown to be metabolized to their corresponding oxides by
the presence in animals of the corresponding hemoglobin
and DNA adducts. Absorption, distribution, elimination
and hemoglobin and DNA adduct formation were studied in
the rat after inhalation of individual C2 - C8 1-alkenes
[including 1-hexene] at 300 ppm, 12 hr /day for 3
consecutive days. Concentrations of olefins were
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DATE: 28.04.2005
measured in blood, lung, brain, liver, kidney and
perirenal fat immediately after each exposure and 12 h
after the third exposure.
Results:
Concentrations of olefins reached steady state levels
after the first 12 hr of exposure, and the
concentrations 12 hr after the last exposure were
generally low (<3% of the concentrations immediately
after exposure), except in the fat. Concentrations of
1-alkenes in blood and tissues increased with increasing
number of carbon atoms. In contrast, levels of
hemoglobin and DNA adducts decreased with increasing
number of carbon atoms. The decrease was most
pronounced from C2 to C3.
Concentrations of individual 1-alkenes after the third
daily 12 hr exposure to 300 ppm and concentrations in
fat 12 hr after the third exposure (n=4). All
concentrations are in µmol/kg; nd = not detectable
(detection limits not provided)
Remarks:
106
Chemical
Blood
Liver
Lung
Brain
Kidneys
Fat
Fat 12
hr after
3rd
exposure
Ethene
0.3
0.4
2.3
0.7
0.7
7
nd
Propene
1.1
0.3
2.9
1.7
1.8
36
nd
1-Butene
1.9
0.8
4.9
3.0
5.7
70
0.3
1Pentene
8.6
51.6
31.4
41.0
105.7
368
19
1-Hexene
18.2
66.8
59.7
59.7
188.0
1031
77
1Heptene
37.0
138.3
85.6
109.3
269.3
2598
293
1-Octene
60.1
443.7
202.4
270.0
385.1
4621
943
The increased retention in fat of 1-alkenes with higher
carbon numbers is presumably a function of their
increased lipophilicity, and decreased likelihood to be
exhaled unchanged, compared to the lower volatile 1alkenes. Since unchanged 1-alkenes are not considered
to be toxic, and because tissue levels rapidly cleared
after exposure ceased, this concentration, especially in
fat tissues, is unlikely to have any biological effect.
An implication of the metabolic formation of an epoxide,
as determined by hemoglobin and DNA adducts, is that the
1-alkenes are likely to be genotoxic. However ethylene,
which formed these adducts to a much greater extent than
the higher homologs, has been specifically investigated
in lifetime animal cancer bioassays at concentrations up
UNEP PUBLICATIONS
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5. TOXICITY
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
to 3000 ppm, and determined to be negative [Hamm, T.E.
Jr., Guest, D, and Dent, J.G. (1984) Fundam. Appl.
Toxicol. 4(3 Pt 1):473-8]. It is highly unlikely that
the higher homologs, including 1-hexene, will be
genotoxic or carcinogenic under these conditions.
Reliability:
(1) Reliable without restrictions.
Reference:
Eide, I., R. Hagerman, K. Zahlsen, E. Tareke, M.
Tornquist, R. Kumar, P. Vodicka and K. Hemminki (1995)
Uptake, distribution, and formation of hemoglobin and
DNA adducts after inhalation of C2-C8 1-alkenes
[olefins] in the rat. Carcinogenesis. 16, 1603 - 1609.
Other:
This study was included in the dossier for 1-hexene at
SIAM 11. Additional information has been added.
5.2
Acute Toxicity
A.
Acute oral toxicity
(1)
Test Substance
Identity (purity):
CAS No. 592-41-6, 1-Hexene (NEODENE 6 alpha
olefin)
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals per
sex per dose:
OECD 401
LD50
Yes [X ] No [ ]
1982
Rat/F344
Males and females
5
Vehicle:
Route of
administration:
oral gavage
Test Conditions:
No data
Results:
Value:
Number of deaths
at each dose level:
LD50 > 5.6 g/kg
Remarks:
No treatment-related gross pathology
Reliability:
(1) Reliable without restrictions
Flag:
No deaths in 5 males or 5 females at 5.6
g/kg
Key study for SIDS endpoint.
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HEXENE
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References:
Shell Development Company (1982) Acute Oral
Toxicity of NEODENE 6 Alpha Olefin in the Rat,
WTP-120 (unpublished report).
Other:
This study was included in the dossier for 1hexene at SIAM 11. Additional information has been
added.
Test Substance
Identity (purity):CAS# 558-37-2, Neohexene (3,3-dimethylbutene-1,
98.5% purity)
Method
Method/guideline: OECD 401
Type (test type): LD50
GLP:
Not specified
Year:
1982
Species/Strain:
Rat/Sprague-Dawley
Sex:
Males and females
No. of animals per
sex per dose:
5
Vehicle:
Route of
administration:
Test Conditions:
None
oral gavage
One group of five rats/sex was dosed orally at a
level of 5000 mg/kg of body weight. At initiation
of the study, the males weighed 270 to 294 g and
the females 202 to 233 g The animals were observed
at 1, 2, and 4 hours after dosing, and daily for a
period of 14 days for mortality and signs of
systemic toxicity. Body weights were recorded
prior to treatment and at 7 and 14 days. The
animals were necropsied at the end of the 14-day
period and observed for gross abnormalities.
Statistical methods were not specified.
Results:
Value:
Number of deaths
at each dose level:
108
LD50 > 5 g/kg
No deaths in 5 males or 5 females at 5 g/kg
Remarks:
Clinical signs of toxicity noted 1 hour after
dosing included depression, soft feces, a hunched
appearance, and rough fur coat. All animals
appeared normal from Day 2 through termination of
the study. All animals gained weight during the
study. There were no significant findings at
necropsy.
Reliability:
(1) Reliable without restrictions
References:
Hazleton Laboratories America, Inc. (1982).
Neohexene: Acute Oral Toxicity Study in Rats.
Conducted for Phillips Petroleum Company,
(unpublished report).
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
B.
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
ACUTE INHALATION TOXICITY
(1)
Test Substance
Identity (purity):
CAS No. 592-41-6, 1-Hexene
Method
Method/guideline: 4-hr exposures to seven different concentrations
in a dynamic exposure system.
Type (test type): LC50
GLP:
Yes [ ] No [X ]
Year:
1967
Species/Strain:
Rat/Wistar
Sex: Males
No. of animals per
sex per dose:
10
Vehicle:
Route of
administration:
Test Conditions:
None
Inhalation
Groups of 10 male rats weighing between 200 and
290 g (age not specified) were exposed to various
vapor concentrations of 1-hexene for 4 hours.
During exposure, animals were observed for toxic
signs, and fatalities were autopsied after the
exposure was terminated. Survivors were observed
and weighed periodically for 14 days and then
sacrificed for determination of gross pathological
change. Concentrations were established by
preparing saturated vapors and diluting with air
to the desired degree. After equilibration of the
chamber, the animals were introduced. During the
exposure, several air samples were withdrawn from
the changer, further diluted by a known amount
with air to bring the resulting concentration
below the L.E.L. (Lower Explosive Limit), and
passed through an M.S.A. Combustible Gas Indicator
which had been calibrated for 1-hexene. This
analytically derived chamber concentration was
compared with the theoretical chamber
concentration based on weight loss of the bubbler
and the total amount of air passing through the
chamber for the given operating situation. The
acute vapor toxicity for a 4- hr exposure was
estimated by plotting the percentage mortality vs
chamber concentration and applying the Litchfield
method to obtain the LC50.
Results:
Value:
LC50: 32,000 ppm (110 mg/L)
Number of deaths
at each dose level:
See table below.
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5. TOXICITY
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Remarks:
No treatment-related gross pathology
Concentration
(ppm):
0
27600
28600
30500
33200
37000
41200
Mortality
0/10
0/10
2/10
5/10
7/10
8/10
10/10
Onset of
anesthesia,
min
Time range of
death, min
None
15
20
20
10
10
5
None
>240
120240
90240
60240
60235
40235
Bodyweight
changes at
Day 14
+55%
+50%
+48%
+50%
+55%
+45%
--
Reported vapor concentrations were nominal values
based on the total airflow and the weight loss of
the vapor generator. Vapor concentration values
obtained with a calibrated combustible gas
analyzer were similar to or slightly greater than
the nominal values.
(2)
Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint.
References:
Rinehart, W.E. (1967) Toxicological Studies on
Several Alpha Olefins. University of Pittsburgh,
submitted to Gulf Research and Development Co.
(unpublished report).
Other:
This study was included in the dossier for 1hexene at SIAM 11. Additional information has been
added.
Test Substance
Identity (purity):
CAS No. 68526-53-4; Alkenes, C6-8, C7 rich
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Not specified
LC50
Pre-GLP
1979
Swiss albino Mice, Sprague-Dawley Rats, Hartley
Guinea Pigs
Males and Females
Sex:
No. of animals
per sex per dose: 5
110
Vehicle:
Route of
administration:
None
Test Conditions:
Age of the test animals was not reported. Body
weights ranged from 17 to 23g (mice), 187 to 260g
(rats), and 293 to 381g (guinea pigs) at
Inhalation
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
initiation of the study. Animals were given single
doses of test material vapor at a concentration of
42.3 mg/L for 6 h. Control animals (5/sex/species)
were exposed to clean air as a sham exposure.
Room air, at a flow rate of 134 L/minute was
bubbled through test material in a flask to
produce a vapor-laden airstream that was directed,
undiluted, into the exposure chamber. The nominal
exposure concentration was calculated by dividing
the mass of test material consumed by the total
volume of air passing through the chamber. For
the purpose of this study, the test material was
considered to be free of impurities.
Animals were observed throughout the exposure
period for signs of toxicity. Following the
exposure period, animals were observed for signs
of toxicity daily for 14 days. Body weights were
recorded on Days 0, 1, 2, 4, 7, and 14. Gross
necropsies were performed on any animals that died
during the study and all animals at the completion
of the study. During the necropsies, the lungs
with trachea, kidneys, and liver were preserved
for possible histopathological examination.
The statistics used to analyze the data were not
reported.
Results:
Value:
LC50 > 42.3 mg/L for 6 h (10,533 ppm)
Number of deaths
at each dose level:
One female mouse died 1 hr into the exposure
period. Two guinea pigs (1 male and 1
female) died by 45 minutes into the exposure
period.
Remarks:
In mice, exposure to 42.3 mg/L of the test
substance resulted in one female death one hour
into the exposure period. All other mice survived
until the end of the study. None of the rats died
during the study. Two guinea pigs (one male, one
female) died by 45 minutes into the exposure
period. The remaining guinea pigs survived until
the end of the study. All exposed species
exhibited signs of systemic toxicity including
labored breathing, prostration, body tremors, and
ataxia during the exposure. However, in the
surviving animals, these signs completely reversed
within 24 hours following the exposure. Liver
discoloration was noted upon necropsy in the mouse
and the two guinea pigs that died during the
exposure. Otherwise, no significant findings were
observed at necropsy. Under conditions of this
study, Alkenes, C6-8, C7 rich have a low order of
acute inhalation toxicity in rodents.
Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
UNEP PUBLICATIONS
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HEXENE
ID: 25264-93-1
DATE: 28.04.2005
References:
(3)
Bio/dynamics, Inc. (1979) An Acute Inhalation
Toxicity Study of MRD-ECH-78-32 in the Mouse, Rat,
and Guinea Pig. Conducted for Exxon Research and
Engineering Company (unpublished report).
Test Substance
Identity (purity):
CAS# 558-37-2, Neohexene (3,3dimethylbutene-1, 98.5% purity).
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals
per sex per dose:
OECD 403
LC50
Not specified
1982
Rat/Sprague-Dawley
Males and Females
Vehicle:
Route of
administration:
None
Test Conditions:
5
Inhalation
One group of five rats/sex (mean body weight:
276.6 g for male, 206.6 g for female) was placed
in a 38 liter exposure chamber and exposed for
four hours to the maximum practical vapor
concentration (51,000 ppm). Analytical chamber
concentrations were measured using a total
hydrocarbon monitor (method or frequency not
specified). The animals were observed hourly
during the exposure and twice daily for a period
of 14 days for mortality and signs of systemic
toxicity. Body weights were recorded prior to
treatment and at 2, 3, 4, 7, and 14 days. The
animals were necropsied at the end of the 14-day
period and observed for gross abnormalities.
Statistical methods were not specified
Results:
Value:
LC50: >51,000 ppm (176 mg/L)
Number of deaths
at each dose level:
No animals died during the study.
112
Remarks:
The mean analytical exposure concentration was
51,000 ppm. All the rats were observed prostrate
in their cages during the exposure. All animals
appeared normal throughout the post-exposure
observation period. All animals gained weight
during the study except the females at the Day 3
interval (slight group mean weight loss). There
were no significant findings at necropsy.
Reliability:
(1) Reliable without restrictions
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
References:
C.
Hazleton Laboratories America, Inc. (1982)
Neohexene: Acute Inhalation Toxicity Test in Rats.
Conducted for Phillips Petroleum Company (
unpublished report).
Acute dermal toxicity
(1)
Test Substance
Identity (purity):
CAS No. 592-41-6, 1-Hexene
olefin)
(NEODENE 6 alpha
Method
Method/guideline: OECD 402 [except that four males and four females
were listed]
Type (test type): LD50
GLP:
Yes
Year:
1982
Species/Strain:
Albino rabbits/New Zealand White
Sex:
Males and females
No. of animals
per sex per dose: 4
Vehicle:
Route of
administration:
None
Dermal
Test Conditions:
No data
Results:
Value:
Number of deaths
at each dose level:
(2)
LD50 > 2 g/kg
No mortalities were observed.
Remarks:
No deaths or signs of systemic toxicity at
2.0 g/kg; no treatment-related gross pathology
except at application site. Skin irritant effects
observed in the test animals included minimal
erythema and edema following removal of the
wrappings at 24 hours. No skin irritant effects
were evident at 14 days and body weight gain was
not affected.
Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
Shell Development Company (1982) Acute Dermal
Toxicity of NEODENE 6 Alpha Olefin in the Rabbit,
WTP-124 (unpublished report).
Other:
This study was included in the dossier for 1hexene at SIAM 11. Additional information has been
added.
Test Substance
Identity (purity):
CAS No. 68526-53-4; Alkenes, C6-8, C7 rich
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5. TOXICITY
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals
per sex per dose:
Not specified
LD50
Pre-GLP
1978
New Zealand White rabbits
Males and females
Vehicle:
Route of
administration:
None
Test Conditions:
2
Dermal
Test animals were at least 9 weeks old and weighed
between 2.2 and 3.3kg at the start of the study.
Concentration levels were 200 and 3160 mg/kg.
Undiluted test material was applied to clipped,
abraded abdominal skin under gauze and thick
plastic. Following the 24-hour exposure period,
the wrapping was removed and the exposed area was
wiped to remove residue. Animals were observed
for gross signs of irritation and systemic
toxicity 1,2,3, and 4 hours post dose and daily
for 7 days. Following the post-exposure
observation period, animals were weighed,
sacrificed and necropsied. Throughout the study,
food and water were available at all times and
animals were housed individually. Statistics used
to evaluate the data were not reported.
Results:
Value:
LD50 > 3160 mg/kg
Number of deaths
at each dose level:
No mortalities were observed at any dose
tested.
114
Remarks:
Lethargy and ataxia were observed in all animals,
but these symptoms cleared by Day 2. Dermal
reactions were generally moderate at 200 mg/kg and
cleared by Day 14. In the high dose group, more
severe dermal reactions, including moderate edema
and severe erythema, persisted through the study.
No significant fluctuations in body weight
occurred. Necropsy findings were unremarkable
except for a pus-filled liver in 1 rabbit from the
high dose group. Under the conditions of this
study, Alkenes, C6-8, C7 rich have a low order of
acute dermal toxicity.
Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
MB Research Laboratories, Inc. (1978) Alkenes, C68, C7 Rich: Acute Dermal Toxicity in Albino
Rabbits (unpublished report).
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
D.
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Acute toxicity, other routes
No data available
5.3
Corrosiveness/Irritation
A.
Skin Irritation/Corrosion
(1)
Test Substance:
CAS No. 592-41-6, 1-Hexene (NEODENE 6 alpha
olefins)
PH:
Not applicable
Method
Test Type:
GLP:
Year:
OECD 404 except that the exposure was 24 hours,
dressing was occlusive, and skin was evaluated
only at 24 and 72 hours.
Yes
1982
Test Conditions
Species:
Strain:
Cell type:
Sex:
Number of animals
per sex per dose:
Rabbits
New Zealand White
Males and females
3
Total dose:
Vehicle:
Exposure time period:
Grading scale:
Method Remarks:
0.5 ml undiluted test substance per site
None
24 hrs
Draize
Irritancy observed at 24 and 72 hours. Six New
Zealand White rabbits, obtained from Nichols
Rabbitry, Lumberton, TX, were clipped of all hair
of the back/trunk area 24 hours prior to
application of test substance. On dosing day (Day
0) the exposed region of the rabbbit’s back was
divided into four quadrants. Immediately prior to
exposure, the areas within quadrants 2 and 3 were
abraded using a 20 gauge hypodermic needle.
Abrasion, made in a “tic-tac-toe” pattern were
deep enough to penetrate the stratum corneum, but
not deep enough to penetrate the underlying derma
or to cause bleeding. Areas of quadrants 1 and 4
were left intact. A 0.5 ml sample of undiluted
test material was applied to each of four 1 by 1
inch squares of surgical gauze, and then placed on
the skin of each exposure site. Patches were held
in place with Blenderm tape. The entire trunk
area was covered in impervious covering, secured
with Blenderm, and wrapped with an elastic
bandage. After 24 hours, all dressings were
removed and the test area was wiped with a moist
towel. Fifteen to twenty minutes after removal of
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5. TOXICITY
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
dressings, the exposure sites were evaluated for
erythema and edema using the Draize method. Sites
were also evaluated at 72 hours following exposure
using the same scoring table.
(2)
Results:
The maximum score for any animal was at 24 hours
and was 2 for erythema and 0 for edema. The
Draize primary irritation score (range 0 - 8.0)
was 0.975.
Reliability:
(1) Reliable without restrictions
Reference:
Shell Development Company (1982) Primary Skin
Irritation of NEODENE 6 Alpha Olefin in the
Rabbit, WTP-121 (unpublished report).
Other:
This study was included in the dossier for 1hexene at SIAM 11. Additional information has been
added.
Test Substance:
CAS No. 592-41-6, 1-Hexene (Shop Olefin C6), >99%
1-hexene
PH:
Not applicable
Method:
4-hr skin irritancy
Test Type:
GLP:
Year:
In-vivo
No
1985
Test Conditions
Species:
Strain:
Cell type:
Sex:
Number of animals
per sex per dose:
Rabbits
New Zealand White
Male and female, aged 3-6 months
3
Total dose:
Vehicle:
Exposure time period:
Grading scale:
116
0.5 ml undiluted test material
None
4 hr
Draize
Method Remarks:
Irritancy observed at 24, 48 and 72 hours. Dorsal
hair between the shoulders and hindquarters was
shaved. A 2 cm x 2 cm lint patch with 0.5 ml of
the test material was applied. The patch and
surrounding skin were covered by a single layer of
gauze and held in place with elastic adhesive
bandage.
Results:
4 hour skin irritancy observed at 24, 48 and 72
hours was 0 for erythema and edema.
Reliability:
(1) Reliable without restrictions
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
(3)
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Reference:
Shell (1985) Toxicology of Shop Olefin: The Skin
Irritancy of Shop Alpha Olefin C6; C18; and Shop
Olefins 103, SBGR 85.166 (unpublished report).
Other:
This study was included in the dossier for 1hexene at SIAM 11. Additional information has been
added.
Test Substance:
SHOP C68 Internal Olefin
Remarks:
CAS No. 25377-72-4, (Pentene=1.9%); CAS No. 2526493-1, (Hexene=43.3%), CAS No. 25339-56-4,
(Heptene=21.7%) and 25377-83-7 (Octene=31.7%),
and CAS No. 27215-95-8 (Nonene=1.4%)
Method:
OECD Guidelines, Section 404 and Section B4 of
Directive 92/69/EEC
Test Type:
GLP:
Year:
in vivo
Yes
1995
Test Conditions
Species:
Rabbits
Strain:
New Zealand White
Cell type:
Sex:
Female
Number of animals
per dose:
3
Total dose:
0.5 ml
Vehicle:
None
Exposure time period:
4 hrs
Grading scale:
Draize
Method Remarks:
At the start of the study, the three month old
animals supplied by Froxfield SPF Rabbits,
Hampshire, England, weighed 2.37 to 2.68 kg.
Animals had free access to a commercially
available standard pelleted rabbit diet and tap
water taken from the public supply. During the
acclimatization period, the health status of each
animal was monitored and a record kept. Each
animal was examined for abnormality or irritation
of the dermal test site before allocation to
study. On the day before the dosing, the dorsum
between the limb girdles was clipped (chemical
depilatories were not used). Two test areas were
marked on either side of the clipped area of
dorsum. A single dose was applied directly to the
skin and covered by an unmedicated gauze patch
which was held in place on the left test site by
strips of Blenderm. The right test site, acting
as a control, was covered by a similar semiocclusive dressing but otherwise remained
untreated. Pads of cotton wool and elasticated
bandage were used to protect the patches and
ensure good contact between the skin and the test
material during the four-hour exposure period.
The elasticated bandage was held in place by thin
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DATE: 28.04.2005
strips of waterproof plaster (Blenderm) at both
edges. Four hours after application, the treatment
sites were gently washed with warm water and dried
with paper tissues to remove excess test material
adhering to the skin. Assessment of skin irritation
responses at the control and treated test sites
were made at 1, 24, 48, and 72 hours after removal
of the bandages. Additional observations of
persistent effects of treatment were made on Days
7, 10 and 13. Reactions of the test sites were
assessed according to the criteria of Draize.
Results:
The test material induced very slight to slight
erythema and edema during the first 72 hours after
bandage removal. Two animals had a score of 2 for
erythema at 48 hours. There were no other dermal
findings. Very slight erythema (score 1) persisted
in one animal to Day 7. Exfoliation was evident in
all animals on Day 7 and two on Day 10. The test
sites of all animals were overtly normal on Day 13.
Under the conditions of the test, SHOP C68 was
considered to be slightly irritating.
B.
Reliability:
(1) Reliable without restrictions
Reference:
Huntington Life Sciences Ltd, (1996) SHOP C68
Internal Olefins: Skin Irritation in the Rabbit;
Performed for Shell Chemical Co. (unpublished
report).
Eye Irritation/Corrosion
(1)
Test Substance:
CAS No. 592-41-6, 1-Hexene (NEODENE 6 alpha
olefin)
pH:
Not applicable
Method:
OECD 405, 3 male and 3 female – unwashed; 3 males
- washed
Test Type:
GLP:
Year:
In-vivo
Yes
1982
Test Conditions
Species:
Strain:
Cell type:
Sex:
Number of animals
per dose:
Dose(s) used:
Vehicle:
118
Albino rabbits
New Zealand White
Male and female
9 (6 unwashed and 3 washed)
One tenth milliliter of undiluted test material
was placed into the right eyes of 3 male and 3
female rabbits. The eyes of an additional group
of 3 male rabbits was flushed with tap water 30
seconds after exposure.
None
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Observation period:
Scoring method used:
(2)
The eyes were examined and scored for
irritation one hour and 1, 2, 3, and 8 days
after treatment.
Draize
Results:
The maximum total Draize score for any animal was
8 at 1 hour. The maximum average total Draize
score (range 0 - 110) occurred at 1 hour, and was
5.0 for unwashed and 5.3 for washed eyes - “mildly
irritating”.
Remarks:
Washing did not reduce irritation.
Reliability:
(1) Reliable without restrictions
Reference:
Shell Development Company (1982) Eye Irritation
of NEODENE 6 Alpha Olefin in the Rabbit, WTP-122
(unpublished report).
Other:
This study was included in the dossier for 1hexene at SIAM 11. Additional information has been
added.
Test Substance:
SHOP C68 Internal Olefin
Remarks:
CAS No. 25377-72-4, (Pentene=1.9%); CAS No. 2526493-1, (Hexene=43.3%), CAS No. 25339-56-4,
(Heptene=21.7%) and 25377-83-7 (Octene=31.7%),
and CAS No. 27215-95-8 (Nonene=1.4%)
Method:
OECD Section 405 and Section B5 of Directive
92/69/EEC
Test Type:
GLP:
Year:
in vivo
Yes
1995
Test Conditions
Species:
Strain:
Cell type:
Sex:
Number of animals
per dose:
Rabbits
New Zealand White
Female
3
Dose(s) used:
Vehicle:
Observation period:
Scoring method used:
Remarks:
0.1 ml
None
72 hrs
Draize scoring at 24, 48, and 72 hours after
treatment
At the start of the study, the four month old
animals supplied by Froxfield SPF Rabbits,
Hampshire, England, weighed 2.80 to 3.35 kg.
Animals had free access to a commercially
available standard pelleted rabbit diet and tap
water taken from the public supply. During the
acclimatization period, the health status of each
animal was monitored and a record kept. Each
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animal was subjected to a single ocular
instillation of 0.1 ml of the test material.
Ocular reactions were assessed 1, 24, 48, and 72 h
ours after treatment.
Results:
Very slight or slight conjunctivitis was observed
in all animals one hour after instillation,
persisting in one animal to the 48 hour
examination. The treated eye of each animal was
overtly normal by the 72 hour examination. At hour
1, one animal had a score of 2 for redness, two
had scores of 1. At 24 hours, 1 rabbit had scores
of 1 for redness, 2 animals had scores of 0. At 48
hours, 1 animal had scores of 1 for redness, all
other scores were 0. At 72 hours, all scores were
0.
Classified as non-irritating.
Reliability:
(1) Reliable without restrictions
Reference:
Huntington Life Sciences Ltd, (1996) SHOP C68
Internal Olefins: Eye Irritation in the Rabbit;
Performed for Shell Chemical Co. (unpublished
report).
5.4
Skin Sensitisation
A.
Test Substance:
CAS No. 592-41-6, 1-Hexene
6 alpha olefin)
Method:
Test Type:
GLP:
Year:
OECD 406 - Buehler
In-vivo
Yes
1982
(1% w/w in ethanol, NEODENE
Test Conditions
Species:
Strain:
Sex:
Number of animals
per sex per dose:
Guinea pig
Duncan-Hartley albino
Male and female
5
Route of
administration:
Topical
Induction conc.:
Induction vehicle:
Challenge conc.: 1%
Challenge vehicle:
Grading system used:
occlusive
1%
ethanol
ethanol
0 = no reaction
+/- = minimal erythema
1 = slight erythema
2 = moderate erythema
3 = moderate erythema with slight edema
4 = severe erythema with moderate edema
120
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
B.
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Method remarks:
DNCB was used as a positive control. A preliminary test
was conducted during the third week of the pre-trial
period using 6 animals at three different concentrations
(1 male, 1 female at each concentration) to determine
the non irritating dose level. Groups of 5 male and 5
female Duncan Hartlley albino guinea pigs, weighing 399
to 461 grams, were treated with 0.5 ml of 1% w/w 1hexene in absolute ethanol, 0.5 ml of 0.1% w/v 2,4dinitrochlorobenzene, or 0.5 ml absolute ethanol. The
exposure sites were shaved (48 hours) and depilated (24
hours) prior to exposure. Sensitizing doses were
applied topically under occlusive bandages (gauze pad
secured with Blenderm surgical tape) one day a week,
six hours per day for 3 consecutive weeks. After a twoweek rest period following the last sensitizing dose, a
challenge dose was given in the same manner as the
sensitizing dose on the original site and on a virgin
site. At this time only, a separate group was treated
with 0.5 ml 1% w/w 1-hexene in absolute ethanol at one
site to serve as an irritation control.
Results:
Negative for sensitization
Grades:
0 for all animals
Results Remarks:
Number of animals with skin reaction at challenge: 0/10
Number of animals with skin reaction in control group at
challenge: 0/10
The control group exhibited slight irritation caused by
ethanol;
the scores decreased over the 5 week period
from 0.03 at week 1 to 0.00 at week 5. The average skin
reaction scores for the positive control group were
0.53 at week 1 and 1.34 at week 5, indicating a positive
skin sensitizing reaction.
The test group exhibited
slight irritation caused by 1-hexene; however, the group
had only one +/- score at week 1 and week 3. The scores
decreased over the 5 week period from 0.03 at week 1 to
0.00 at week 5. No irritation was observed in the
irritation control group.
Reliability:
(2) Reliable with restrictions: Animals were examined
for health and suitability five days prior to treatment
rather than “within 3 days prior to test.” Protocol
indicated that a total of 48 guinea pigs would be
required for the study; however, only 46 animals were
used.
Reference:
Shell Development Company (1982) Guinea Pig Skin
Sensitization of NEODENE 6 Alpha Olefin, WTP-123
(unpublished report).
Other:
This study was included in the dossier for 1-hexene at
SIAM 11. Additional information has been added.
Test Substance:
SHOP C68 Internal Olefin
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Remarks:
CAS No. 25377-72-4, (Pentene=1.9%); CAS No. 25264-93-1,
(Hexene=43.3%), CAS No. 25339-56-4, (Heptene=21.7%) and
25377-83-7 (Octene=31.7%), and CAS No. 27215-95-8
(Nonene=1.4%)
Method:
92/69/EEC
OECD Guidelines, Section 406 and Section B6 of Directive
Test Type:
GLP:
Year:
Magnusson and Kligman
Yes
1995
Test Conditions
Species:
Albino Guinea pig
Strain:
Dunkin-Hartley
Sex:
Males and females
Number of animals
per sex:
10 each in test group; 5 each in control group
Route of
administration:
Topical
Intradermal
Induction conc.:
Intradermal
Induction vehicle:
Topical
Induction conc.:
Topical
Induction vehicle:
Challenge conc.:
Challenge vehicle:
Positive control:
Grading system used:
Method remarks:
50%
Paraffin oil
100%
none
100% and 30%
Paraffin oil
none
Draize
The dorsal trunk and flanks of the 6-8 week old animals,
weighing 302-380 grams were clipped on the day prior to
dosing. Four males and four females were dosed at 0.4
ml/site at concentrations of 2.5%, 5%, 10%, 25%, and 50%
under occlusion with test material for a period of six
hours and examined and graded in accordance with the
Draize method at 24 and 48 hours after completion of
exposure.
A Test Group of 10 male and 10 female animals was dosed
topically at 0.4 ml/site under occlusion with test
material once per week for three weeks, a total of three
induction exposures. A Positive Control Group of 6
males and 6 females was dosed with dinitrochlorobenzene
(DNCB). Doses were applied under 25-mm Hill Top
Chambers®, with adhesive backs removed, occluded with
plastic wrap and overwrapped with Elastoplast® tape. The
period of exposure was six hours, after which the
bandages were removed, and the sites wiped with
disposable paper towels moistened with tepid tap water.
The test material concentration used for induction and
dosing (100% and 0.1% in acetone, respectively) were
selected based on the irritation rangefinding phase.
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Two weeks after the last induction exposure, Test Group
animals were challenge dosed by topical application of a
known essentially nonirritating concentration of the
test material to previously unexposed areas of skin for
six hours. The Positive Control Group was induced and
challenged on a similar regimen as the Test Group with
DNCB. Reactions to challenge dosing were evaluated at
approximately 24 and 48 hours after completion of each
exposure.
Results:
Negative for sensitization
Grades:
See remarks
Results Remarks:
Intradermal injection of 50% v/v SHOP C68 in paraffin
oil gave rise to isolated cases of slight or moderate
erythema and pallor; a similar administration of 50% v/v
SHOP C68 in the adjuvant resulted in slight or moderate
erythema, pallor, discoloration, eschar formation and
edema. The entire suprascapular region of five animals
was edematous.
Occluded topical induction application of SHOP C68 gave
rise to slight erythema and exfoliation.
Challenge application of test material gave rise to a
positive response (slight erythema or a more marked
reaction) in sixteen test and four control animals.
Challenge of test material in paraffin oil caused a
positive response in five test and no control animals.
Challenge application of paraffin oil alone caused a
positive response in one test and no control animals.
Re-challenge application of 50% v/v SHOP C68 in paraffin
oil caused a positive response in two test and one
control animals. Re-challenge application of paraffin
oil alone caused a positive response in one test and no
control animals.
Although the incidence of significant responses was
slightly higher in test than control animals, the
difference was not considered to be sufficiently marked
to be attributed to contact sensitization. The
reactions were considered to reflect primary irritation.
It was therefore concluded that, under the conditions of
this study, repeated administration of SHOP C68 did not
cause delayed contact hypersensitivity in guinea pigs.
5.5
Reliability:
(1) Reliable without restrictions
Reference:
Huntingdon Life Sciences Ltd. (1996) SHOP Internal
Olefin: Delayed hypersensitivity study in theGuinea Pig
(Magnusson Kligman Method), Performed for Shell Chemical
Co. (unpublished report).
Repeated Dose Toxicity
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Test Substance
Identity:
Remarks:
CAS No. 68526-52-3, Alkenes C6
Composition: C5 n-olefins = 0.5%, C5 iso-olefins = 1.3%,
C6 n-olefins = 10.4%, C6 iso-olefins = 55.6%, C5 nparaffins = 3.3%, C5 iso-paraffins = 9.3%, C6 isoparaffins = 17.8%, C7 iso-olefins = 1.0%
Method
Method/guideline: OECD 422
Test type:
Combined repeated dose toxicity study with
reproduction/developmental toxicity screening test
GLP:
Yes
Year:
2002
Species:
Rat
Strain:
Sprague-Dawley Crl:CD®(SD)IGS BR
Route of
Administration:
Oral gavage
Duration of test: Up to 38 days (general systemic toxicity and
neurotoxicity); see Remarks
Doses:
0, 100, 500, or 1000 mg/kg b.w./day
Sex:
Males and females
Exposure period: Minumum of 28 days and up to 38 days, see Remarks
Frequency
of treatment:
Once daily
Control group
and treatment:
Concurrent vehicle control (corn oil)
Post exposure
observation period:
None
Statistical methods:
Data for the toxicity study, including body
weights, body weight gain, food consumption, were
analyzed by One-Way Analysis of Variance (ANOVA).
If significance was detected (p<0.05), pairwise
group comparisons were performed using the TukeyKramer test. Descriptive (categorical) data and
quanta data were analyzed by Fisher’s Exact Test.
When significance was observed, group by group
comparisons were performed using Fisher’s Exact
Test. Absolute and relative organ weights, and
clinical pathology data were analyzed for
homogeneity of variance using Levene’s test. If
significance was detected with Levene’s test
(p<0.01), multiple group comparisons proceeded
using the Kruskal-Wallis non-parametric ANOVA,
followed by Dunn’s test, when p<0.05. If
significance was not detected with Levene’s test,
parametric procedures were used to analyze the
data, i.e., ANOVA followed by Tukey-Kramer test
when p<0.05. All analyses were two-tailed with a
minimum significance level of 5% (p<0.05).
Test Conditions:
This study was conducted to: (1) provide screening
information on the repeated-dose systemic toxicity of
the test substance, with emphasis on potential
neurological effects, and (2) serve as a screening
study for potential reproductive and developmental
effects in male and female rats.
GENERAL SYSTEMIC TOXICITY PHASE (see Sections 5.9.A(1)
and 5.9.B(1) for the reproductive toxicity phase): On
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the day following receipt, animals were approximately 9
wks of age and weighed 237 – 296 g (males) and 170 – 226
g (females). Animals were acclimated for 17 days prior
to dosing. The study consisted of one control group and
three treatment groups with 12 animals in each group.
Animals were treated for a minimum of 4 wks, up to and
including the day prior to scheduled euthanasia.
Detailed clinical observations were performed a minimum
of weekly and on the day of scheduled euthanasia. An
abbreviated functional observation battery (FOB) was
performed prior to study initiation and weekly
thereafter. A full FOB was performed following 28 days
of treatment. Individual body weights were recorded on
days 0, 3, 7, 12, 16, 20, 23, 27 and 30. A final body
weight was recorded prior to scheduled euthanasia (day
34/38) Individual food consumption was recorded on the
same days as body weights (except for males during
cohabitation with females in the reproduction/
developmental screening study). Blood samples were
collected on the day of scheduled euthanasia (day 34/38)
for evaluation of selected hematology, coagulation and
clinical chemistry parameters. All animals were
subjected to a complete gross necropsy examination at
the time of death or scheduled euthanasia (day 34/38).
Organ weights (liver, kidneys, testes, epididymides,
adrenals, thymus, spleen, brain and heart) were recorded
from surviving animals and the following tissues and
organs were preserved from all animals: all gross
lesions, accessory genital organs, adrenals, aorta,
brain, cecum, colon, duodenum, esophagus, exorbital
lachrymal glands, eyes with optic nerve, femur, heart,
ileum, jejunum, kidneys, liver, lungs, mammary gland,
mesenteric/mandibular/ mediastinal lymph nodes, ovaries,
pancreas, peripheral nerve, pituitary, rectum, skeletal
muscle, skin, spinal cord, spleen, sternum with bone
marrow, stomach, submaxillary salivary gland, testes,
thymus, thyroid, parathyroid, tongue, trachea, and
urinary bladder. All tissues and organs collected at
necropsy from animals in the control and high-dose
groups and animals found dead, and gross lesions from
animals in the low- and mid-dose groups were examined
microscopically.
Results
NOAEL (NOEL):
NOAEL (general systemic toxicity) = 1000 mg/kg/day
(study author assigned)
NOEL (general systemic toxicity) = 100 mg/kg/day for
females due to kidney effects; none for males due to
kidney and adrenal effects (reviewer assigned)
LOAEL (general systemic toxicity) = 500 mg/kg/day for
females and 100 mg/kg/day for males (reviewer assigned)
NOEL (neurotoxicity) = 1000 mg/kg/day (reviewer
assigned)
Actual dose received
by dose level by
sex if known:
As administered. Analysis of dosing mixtures confirmed
that mixtures were accurately prepared.
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No test article-related mortality occurred. Post-dose
salivation was observed for males (11/12) and females
(6/12) in the 1000 mg/kg/day group. Remarkable clinical
signs in the 500 mg/kg/day group were limited to a
single incidence of post-dose salivation in 1 male. No
remarkable clinical signs were observed for females in
the 500 mg/kg/day group or males or females in the 100
mg/kg/day group. No toxicologically meaningful
differences were noted in the FOB evaluations.
There were no toxicologically meaningful differences
noted in mean body weights, body weight gain, food
consumption, hematology, or coagulation or the clinical
chemistry parameters evaluated. All significantly
different values were within the laboratory’s range of
historical control data values. The mean prothrombin
time of females in the 100 mg/kg/day group was
statistically lower than controls on day 38. This
difference did not follow a consistent pattern and was
not dose responsive. Statistically significant higher
mean total protein, potassium, calcium, phosphorus and
albumin values were noted for males in the 1000
mg/kg/day group on day 34. In females, statistically
significant differences in clinical chemistry data
included a lower mean AST value in the 500 mg/kg/day
group and a higher mean phosphorus value in the 1000
mg/kg/day on day 38.
No remarkable gross necropsy findings were noted in the
control or test article-treated groups. A few
statistically significant differences in organ weights
were noted; however, none of the differences were
considered toxicologically meaningful since they did not
correlate with any toxicologically significant
histopathological changes. In males, statistically
significant differences in organ weight data included
higher absolute adrenal weight in the 100 mg/kg/day
group; higher absolute kidney weights in the 100, 500
and 1000 mg/kg/day groups; higher kidney weight relative
to final body weight in the 500 and 1000 mg/kg/day
groups; and higher liver weight relative to final body
weight in the 1000 mg/kg/day group. In females,
statistically significant differences in organ weight
data included higher kidney weight relative to final
body weight in the 500 and 1000 mg/kg/day groups, and
higher liver weight relative to final body weight in the
1000 mg/kg/day group.
Minimal to mild hyaline droplet nephropathy within the
proximal convoluted tubules was observed in 9 of 12
males in the 1000 mg/kg/day group. Accumulation of α2µ –
globulin protein within the proximal convoluted tubule
epithelial cells can be induced by a variety of chemical
compounds that reversibly bind with α2µ-globulin
protein, thus decreasing the rate of protein complex
metabolism by the cells. Tubular epithelial degenerative
and regenerative changes commonly accompany the
accumulation of hyaline droplets; however, its presence
and associated nephropathy in male rats is not
considered toxicologically significant for humans.
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(See Sections 5.9 A(1) and 5.9.B(1) for Reproductive and
Developmental results and Section 5.10.B.(1) for
neurotoxicity results.)
Reliability:
B.
(1) Reliable without restrictions.
Flag:
Key study for SIDS endpoint.
References:
Thorsrud, B.A. (2003) A combined repeated dose toxicity
study and reproduction/developmental screening study in
Sprague Dawley rats with (C6) alkenes, Study No. 3604.2,
Springborn Laboratories, Inc., Ohio Research Center,
Spencerville, Ohio; conducted for American Chemistry
Council (Higher Olefins Panel) (unpublished report).
Test Substance
Identity (purity):
CAS No. 592-41-6, 1-Hexene
alpha olefin)
(90 – 100%,
NEODENE 6
Method
Method/guideline: OECD 413
Test type:
90-day subchronic inhalation toxicity study
GLP:
Yes
Year:
1984
Species:
Rat
Strain:
F344
Route of Admin.: Inhalation – vapor
Duration of test: 90 days
Doses:
0, 300, 1000, 3000 ppm (0, 1033, 3442 and 10,326 mg/m3)
Sex:
Males and females
Exposure period: 6 hr/day
Freq. of treatment:
5 days/week, 13 weeks
Control group:
Air exposed
Post exposure
observation period:
Not applicable
Statistical methods:
Unadjusted body weights were analyzed by Dunnet’s
test. Organ weights, clinical chemistry,
hematology, urinalysis, and organ-to-body weight
ratio data were analyzed by Dunnett’s t-test on
ranked data. The Rotorod data for neuromuscular
coordination were adjusted by summing the time for
the best 3 of 4 trials for each rat.
Test Conditions:
The objective of this study was to evaluate the toxicity
of 1-hexene following repeated inhalation exposures in
male and female Fischer 344 rats. Groups of 40 male and
40 female rats (young, 125-160 g at study initiation),
were exposed for 6 hours per day, 5 days per week, over
a 13-week period. Treatment groups (10 rats/sex/group)
consisted of air-exposed control (0 ppm) and three test
groups of 300, 1000, and 3000 ppm 1-hexene. During the
treatment period, the rats were observed daily for
clinical signs of toxicity; body weights and
neuromuscular coordination [females only] were measured
at 7-day intervals. After 7 weeks of exposure and at the
end of the treatment period, the rats were examined for
macroscopic pathology (lungs, liver, kidneys, brain,
heart, spleen, right testicle without epididymides), for
microscopic pathology (brain, right median nerve, right
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sciatic nerve, nasal turbinates, trachea/larynx, lungs,
liver, kidneys, right testicle, and epididymides),
clinical chemistry, hematology, urinalysis, and sperm
counts.
Results
NOAEL (NOEL):
NOEL = 1000 ppm (3.442 mg/L), based on changes in
bodyweight (females) and questionable organ weight
changes in both sexes at 3000 ppm
LOAEL (LOEL):
LOEL = 3000 ppm (10.326 mg/L)
Actual dose received
by dose level by
sex (if known):
0, 300, 1000, 3000 ppm
Remarks:
No mortalities were observed during the course of the
study. No clinical signs of toxicity attributable to 1hexene exposure were observed. Female rats exposed to
3000 ppm had significantly lower body weights compared
to control rats from exposure day 5 persisting
throughout the treatment period.
Several statistically significant effects in hematology,
clinical chemistry, and urinalysis evaluations were
observed: elevated serum phosphorus in males at 300,
1000 and 3000 ppm and in females at 1000 and 3000 ppm;
lower serum lactate dehydrogenase in female rats exposed
to 1000 ppm, and in both male and female rats exposed to
3000 ppm; lower serum albumin in female rats exposed to
3000 ppm; elevated hematocrit and RBC count in 3000 ppm
males and in 1000 and 3000 ppm females; lower mean
corpuscular hemoglobin and hemoglobin concentration in
1000 and 3000 ppm females. These findings were either
of small magnitude or did not correlate with
histopathological findings, and thus did not appear to
be of biological significance.
At 3000 ppm, male rats exhibited slightly increased
absolute and relative testicular weights; however, when
the left testicle was detunicated prior to weighing,
there was no statistically significant increase in
testis weight compared with the controls. Female rats
had slightly decreased absolute (but not relative) liver
and kidney weights, at 3000 ppm. No treatment-related
gross or histological lesions were noted in these or
other tissues at either the interim or terminal
sacrifice. Sperm counts were observed and were not
considered to show statistical significance. (Please see
Reproductive Toxicity section 5.9.A for further details
about reproductive endpoints)
Exposure to 1-hexene did not affect neuromuscular
coordination in females as determined using the Rotorod.
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Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
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References:
Gingell, R., Bennick, J.E., and Malley, L.A. (1999)
Subchronic inhalation study of 1-hexene in Fischer 344
rats. Drug Chem Toxicol. 22(3):507-28.
Other:
This study was included in the dossier for 1-hexene at
SIAM 11. Additional information has been added.
Test Substance
Identity (purity):
CAS No. 592-41-6, 1-Hexene
alpha olefin)
(90 – 100%,
NEODENE 6
Method
Method/guideline: OECD 407
Test type:
28-day oral repeated dose study
GLP:
Yes
Year:
1994
Species:
Rat
Strain:
Wistar
Route of Admin.: Oral gavage
Duration of test: 28 days
Doses:
0, 10, 101, 1010, 3365 mg/kg/day
Sex:
Males and females
Exposure period: 28 days
Freq. of treatment:
daily for 28 days
Control group:
Dosed with water
Post exposure
observation period:
none
Statistical methods:
No data
Test Conditions:
Groups of 5 male and 5 female rats were dosed daily for
28 days with undiluted 1-hexene; controls were dosed
with water.
Results
NOAEL (NOEL):
LOAEL (LOEL):
NOEL = 101 mg/kg/day for males (male rat-specific kidney
effect) and 1010 mg/kg/day for females (gastric effects
and spleen weights)
LOEL = 1010 mg/kg/day for males and 3365 mg/kg/day for
females
Remarks:
The main effect of dosing was irritation of the gastric
mucosa, as observed by macro- and microscopic
examination at the top two dose levels (males and
females). Body weights were reduced in males at these
doses. Clinical signs of hunched posture and ruffled
fur were seen at the top dose, probably reflecting
general discomfort. Spleen weights were reduced at the
top dose, but there were no associated histological
findings. Opthalmoscopy, clinical chemistry,
hematology, and neuromuscular coordination [by rotorod]
were unaffected. Pathological changes were restricted
to gastric effects.
Reliability:
(1) Reliable without restrictions
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References:
Dotti, A., Duback-Powell, J.R., Biderman, K., and Weber,
K. (1994) 4-week oral toxicity (gavage) study with 1hexene in the rat. RCC Project 332695. Cited in HEDSET.
Other:
This study was included in the dossier for 1-hexene at
SIAM 11. Additional information has been added.
Test Substance
Identity (purity):
Remarks:
CAS No. 592-41-6, 1-Hexene
Three test articles were blended to produce the final
test article consisting of 90-100% 1-hexene (NEODENE 6,
GULFTENE 6 and alpha olefin 6)
Method
Method/guideline: OECD 421 (modified) (see Section 5.9.A.2 for
reproductive endpoints and Section 5.9.B.2 for
developmental endpoints)
Test type:
Reproduction/Developmental Toxicity Screening Study
GLP:
Yes
Year:
1995
Species:
Rat
Strain:
Sprague-Dawley
Route of Admin.: Oral gavage
Duration of test: Males: 44 days; females: 41-55 days
Doses:
0, 10, 500, 1000 mg/kg/day
Sex:
Males and females
Exposure period: 28 days
Freq. of treatment:
daily
Control group:
Corn oil by oral gavage
Post exposure
observation period:
none
Statistical methods:
Continuous data, including body weights, body
weight gain, feed consumption, organ weights, were
analyzed by using a One-Way analysis of Variance.
If significance [P<0.05] was detected, group by
group comparisons were performed using Dunnett’s
test. All analyses utilized two-tailed tests for a
minimum significance level of 5% comparing the
control to the treated groups.
Test Conditions:
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12 male rats (195-242 g, 6 weeks old) per group were
exposed for 28 days prior to mating, and through mating
until euthanasia for a total of 44 consecutive days of
dosing; 12 females (163-219 g, 8 weeks old) per group
were dosed for 14 days prior to mating, during mating,
gestation and lactation through euthanasia at lactation
day 4 [41-55 consecutive days]. Dose levels were 0,
100, 500, 1000 mg/kg/day in a corn oil vehicle [5
mL/kg]. Animals were observed daily for clinical signs
of toxicity. Body weights and food consumption were
determined weekly. Females that delivered were
necropsied on lactation day 4. Females that failed to
deliver were necropsied 25 days after evidence of mating
was detected. For females, the ovaries and brain were
weighed. For males, after 43 days of dosing, the viscera
were examined, and brain, testes and epididymides
weighed. The ovaries, testes, epididymides, liver,
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kidneys, and peripheral (sciatic) nerve of control and
high dose animals, the kidneys of the low and mid dose
animals, and all gross lesions from each group, were
processed for microscopic examination.
Results
NOAEL (NOEL):
LOAEL (LOEL):
Remarks:
NOEL for general toxicity in the P generation is <100
mg/kg/day for males (male kidney histopathology) and
1000 mg/kg/day for females
LOEL = 100 mg/kg/day for males
Please see Sections 5.9.A.2 and 5.9.B.2 for reproductive
and developmental toxicity endpoints.
No mortality or clinical signs of toxicity were
observed. For the F0 males and females at the top dose,
gross and histological examination of the ovaries ,
testes, epididymides, liver, kidneys , and peripheral
[sciatic] nerve was performed; kidneys were also
examined at the mid and low dose levels. The only gross
finding was pitted kidneys in a few mid and top dose
males (2/12 in 500 mg/kg/day group and 3/12 in the 1000
mg/kg/day group, and the only histological finding was
dose-related accumulations of hyaline droplets in the
epithelial cells of the convoluted tubules of the
kidneys of males (incidence of 0/0, 7/12, 8/12 and 9/12
for the 0, 100, 500 and 1000 mg/kg/day groups); no such
effect was observed in female rats. Although there was
no immunochemical verification, the author’s concluded
that the formed droplets were alpha2u-globulin This
condition was diagnosed as hydrocarbon nephropathy,
which is considered specific to young adult male rats;
there is no indication that similar nephropathy will
occur in humans exposed to 1-hexene.
Reliability:
(1) Reliable without restrictions
References:
Gingell, R., Daniel, E.M., Machado, M. and Bevan, C.
(2000) Reproduction/developmental toxicity screening
test in rats with orally-administered 1-hexene. Drug and
Chem. Toxicology 23(2)327-338.
Other:
This study was included in the dossier for 1-hexene at
SIAM 11. Additional information has been added.
5.6
Genetic Toxicity in vitro
A.
Gene Mutation
(1)
Test Substance
Identity (purity):
CAS No. 68526-52-3, Alkenes, C6
Method
Method/guideline: EPA OTS 798.5265
Type:
in-vitro bacterial reverse mutation – Ames Assay
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System of testing:
bacterial
GLP:
Yes
Year:
1991
Species/Strain:
Salmonella typhimurium TA98, TA100, TA1535,
TA1537, TA1538
Metabolic activation:
With and without S9 fraction of livers from
rats pretreated with Aroclor 1254
Concentrations tested:
3.2, 10, 32, 100 and 320 µg/plate (Doses
were based on a pre-test for toxicity)
Statistical Methods:
The mean plate count and standard deviation
for each dose point were determined. Any
test value that was equal to or greater than
three times the mean value of the concurrent
vehicle control was considered to be a
positive dose.
Test Conditions:
For the purpose of this study, the test material
was considered to be free of impurities. DMSO was
the vehicle for controls. Ethanol was the vehicle
for the test material. Vehicle controls were
dosed at 0.1 ml/plate ethanol and 0.1 ml/plate
DMSO. The positive controls were 2Aminoanthracene, 9-Aminoacridine, 2-Nitrofluorene,
N-methyl-N-nitro-N-nitrosoguanidine.
To determine the highest dose of compound to be
used in the assay, a dose range from 1 to 10,000
µg/plate was tested. Only strain TA98 was used.
The toxicity pretest was repeated and toxicity was
observed as a reduction in both background and
revertant colony counts. 320 µg/plate was
selected as the high dose to be used on the
mutagenesis assay for both the saline (-S9) and
the +S9 treated plates.
Triplicate plates were used for each dose level. A
repeat assay was performed in order to verify the
data produced in the initial assay.
Results
Cytotoxic conc.:
320 ug/plate
Genotoxic effects:
132
Negative with and without metabolic
activation
Remarks:
The test material did not induce a dose
related increase in the mutation frequencies of
any of the tester strains either in the presence
or absence of metabolic activation. All positive
and negative controls responded in a manner
consistent with data from previous assays. Under
the conditions of this study the test material is
not mutagenic for the Salmonella tester strains at
doses up to and including 320 µg/plate.
Reliability:
(1) Reliable without restrictions
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Flag:
Key study for SIDS endpoint.
References:
Exxon Biomedical Sciences, Inc. (1991a). Alkenes,
C6: Microbial Mutagenesis in Salmonella: Mammalian
Microsome Plate Incorporation Assay. Conducted by
Exxon Biomedical Sciences, Inc., East Millstone,
NJ, USA (unpublished report).
Test Substance
Identity (purity):
CAS No. 592-41-6, 1-Hexene
(99.06%)
Method
Method/guideline: OECD 471 with repeat assay
Type:
In vitro bacterial reverse mutation – Ames Assay
System of testing:
bacterial
GLP:
Yes
Year:
1990
Species/Strain:
Salmonella typhimurium TA98, TA100, TA1535,
TA1537, TA1538
Metabolic activation:
With and without 0.5 ml of S9 fraction of
livers from Sprague Dawley rats pretreated
with Aroclor 1254
Concentrations tested:
0.0015, 0.005, 0.015, 0.05, 0.15 and 0.5
mg/plate (Doses were based on a pre-test for
toxicity)
Statistical Methods:
Results were considered clearly positive if
treatment with test material produced an
increase in revertant colony numbers of at
least twice the concurrent solvent control,
with some evidence of a positive doserelationship, in two separate experiments,
with any bacterial strain either in the
presence or absence of S9 mix. Results were
considered clearly negative if treatment
with test material did not produce
reproducible increases of at least 1.5 times
concurrent solvent controls, at any dose
level with any bacterial strain.
When results fail to satisfy criteria for
clear positive or negative response, repeat
test may be performed using modifications.
These modifications include the use of a
narrower dose range and or the use of
different levels of liver homogenate S9
fraction. If no clear positive response can
be obtained, the test data will be subjected
to analysis to determine statistical
significance using analysis of variance
followed by student’s t test.
Test Conditions:
PRELIMINARY TOXICITY ASSAY – Four concentrations
of test substance were assayed for toxicity (5000,
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500, 50, 5 ug/plate). Dimethylsulphoxide was used
as the solvent and negative control. 0.1 ml of a
bacterial culture containing approximately 2 x109
cells/ml and 0.5 ml of S-9 mix or 0.5 ml buffer
were added to glass bijou bottles. 0.1 ml of test
solution was added followed by 2 ml histidine
deficient agar. The mixture was shaken and
overlayed onto previously prepared plates
containing minimal agar. Plates were incubated for
three days at 37˚C. Toxicity of the test substance
was detected by a substantial reduction in
revertant colony counts or by the absence of a
complete background bacterial lawn.
MUTAGENICITY ASSAY – 0.1 ml aliquots of bacterial
suspension and 0.5 ml of sterile buffer or S-9 mix
were added to each of one set of sterile bijou
bottles. 0.1 ml of test compound was added to the
cultures at six concentrations. The appropriate
positive control was added (Without S-9: 9aminoacridine 80 ug/plate TA1537; N-ethyl-N’nitrosoguanidine 3 ug/plate TA100; N-ethyl-N’nitrosoguanidine 5 ug/plate TA1535; 2nitrofluorene 1 ug/plate TA98; 2-nitrofluorene 2
ug/plate TA1538. With S-9: 2-aminoanthracene 0.5
ug/plate TA1538 and TA98; 1 ug/plate TA100; 2
ug/plate TA1535 and TA1537). Three replicates were
used at each dose level. 2 ml of histidine
deficient agar was added to each of the bottles,
mixed, and overlaid onto minimal agar. Plates were
incubated for three days at 37°C. Colonies were
counted using a Biotran Automatic Colony Counter,
and mean number of revertant colonies per
treatment group was assessed. A repeat assay was
performed in order to verify the data produced in
the initial assay.
Results
Cytotoxic conc.:
With metabolic activation: 5 mg/plate (all
strains); 0.5 mg/plate (TA98)
Without metabolic activation: 0.5 mg/plate
Genotoxic effects:
134
Negative with and without metabolic
activation
Remarks:
The concentration of the test compound resulting
in precipitation was not reported in summary.
Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
Huntingdon Research Center (1990) 1-Hexene:
Bacterial Mutation Assay. Sponsored by Ethyl
(unpublished report).
Other:
This study was included in the dossier for 1hexene at SIAM 11. Additional information has been
added.
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HEXENE
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Test Substance
Identity (purity):
CAS# 558-37-2, Neohexene (3,3dimethylbutene-1,
98.5% purity).
Method
Method/guideline: OECD 471 without repeat assay
Type:
In vitro bacterial reverse mutation – Ames Assay
System of testing:
bacterial
GLP:
Not specified
Year:
1982
Species/Strain:
Salmonella typhimurium TA98, TA100, TA1535,
TA1537, TA1538
Metabolic activation:
With and without; S9 fraction (0.5 ml/plate)
of livers from rats pretreated with Aroclor
1254 (500 mg/kg for 5 days)
Concentrations tested:
0, 32.3, 96.5, 289.5, 868.4, and 2605
µg/plate
(doses were based on a pre-test for
toxicity)
Statistical Methods:
A positive response was defined as a
reproducible, dose-related increase in
revertant colonies over three concentrations
with the baseline increase twice the solvent
control level.
Test Conditions:
Solvent control: dimethylsulfoxide (DMSO).
Positive controls: N-Methyl-N'-nitro-Nnitrosoguanidine (MNNG), 9-aminoacridine (9-AA),
2-nitrofluorene (2-NF), 2-aminoanthracene (2-AA).
Five different Salmonella strains were tested in
the presence and absence of rat liver S-9. The
test substance was soluble in the solvent
(dimethylsulfoxide, DMSO) at 100 mg/ml. Five dose
levels were tested, with three plates per dose
level. The maximum dose selected was 2605 µg/plate
based on observed growth inhibition during an
initial toxicity test. Concurrent positive
controls were also tested with and without
metabolic activation.
Results
Cytotoxic conc.:
2605 µg/plate in the initial toxicity test;
cytotoxicity in the mutagenicity assay was not
reported
Genotoxic effects:
Remarks:
Negative with and without metabolic
activation
The concentration of the test compound resulting
in precipitation was not reported. The test
substance was not mutagenic in any of the five
strains of Salmonella tested in the presence or
absence of Aroclor-induced rat liver S9.
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Reliability:
(1) Reliable without restrictions
References:
Hazleton Laboratories America, Inc. (1982).
Neohexene: Salmonella typhimurium mammalian
microsome plate incorporation assay. Conducted for
Phillips Petroleum Company (unpublished report).
Test Substance
Identity (purity):
CAS No. 592-41-6, 1-Hexene
(99.06%)
Method
Method/guideline: OECD 476
Type:
In-vitro mammalian Cell Gene Mutation TK+/- Test
System of testing:
non-bacterial
GLP:
Yes
Year:
1990
Cell Line:
Mouse Lymphoma L5178Y
Metabolic activation:
With and without S9 fraction of livers from
Sprague Dawley rats pretreated with Aroclor
1254
Concentrations tested:
Preliminary toxicity - 10, 15, 30, 62.5,
125, 250, 500, 750, 1000 ug/ml
Mutation test – S-9 mix:
Test 1 -15, 30, 62.5, 125, 200, 300,
400, 500, 750 ug/ml
Test 2 – 15, 30, 62.5, 125, 200, 300,
350 ug/ml
Mutation test + S-9 mix:
Test 1 – 15, 30, 62.5, 125, 200, 300,
400, 500, 750 ug/ml
Test 2 – 10, 15, 30, 62.5, 125, 200,
300, 350 ug/ml
Statistical Methods:
Analysis of variance of the mutant
frequencies after the data had been log
transformed. The difference between each
treated group and the control mutant
frequency was tested for significance by
one-sided t-test. The criteria for a
positive response included: the induction of
at least two-fold increase in mutant
frequency relative to the concurrent
control; the demonstration of a
statistically significant response; evidence
of a dose-related response; and reproducible
response.
Test Conditions:
136
PRELIMINARY TOXICITY TEST - 3 ml aliquots of cell
suspensions containing 1 x 106 cells/ml were
dispensed into containers followed by 2ml of media
or 2 ml of S-9 mix. 50 ul of compound solution or
DMSO was then added. Two cultures per dose were
prepared, one with S-9 and one without S-9. Cell
suspensions were incubated at 37 ˚C for 3 hours.
After incubation cells were washed with media and
transferred to a bottle containing 30 ml growth
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media. Cell growth was monitored at 24 and 48
hours after treatment.
MUTATION TEST – The mutation test was carried out
as described for the preliminary toxicity test
with the following modifications. Two cell
cultures were treated for each dose level. 12 ml
of cell suspension and 8 ml of media or S-9 mix
were dispensed into 50 ml centrifuge tubes. 200 ul
of solvent control, test compound solution or
positive control was added. After test incubation,
cells were washed once and transferred to bottles
containing 60 ml growth media. Cells were
maintained in culture for 48 hours to allow for
expression of induced mutation.
At least four treatment levels were chosen in
which the cell survival was in the range of 10010% relative to controls for subsequent cloning in
agar and assessment of mutant colony numbers.
Cultures outside this range were discarded. 600
cells were plated in cloning medium for estimation
of viability and 3 x 106 cells in selective medium
for quantitation of mutation. Plates were
incubated at 37˚C for 12 days. Colonies with a
diameter greater than 200 um were counted.
The positive control compound for tests carried
out in the absence of S-9 mix was ethyl methane
sulphonate ata final concentration of 500 ug/ml.
20-methylcholanthrene was used as a positive
control in the presence of S-9 mix at a final
concentration of 2.5 ug/ml. The solvent in both
cases was DMSO.
Results
Cytotoxic conc.:
Concentration
ug/ml
Cytotoxicity expressed as mean % of control growth
in suspension
0
10
15
30
62.5
125
200
300
350
400
500
750
500/
2.5*
Test 1
100
-
103
109
99
82
31
2
-
2
2
2
69
Test2
100
-
101
110
87
52
<1
<1
1
-
-
-
85
Test 1
100
-
89
88
41
71
74
16
-
3
1
1
40
Test 2
100
81
83
2
51
26
1
1
1
-
-
-
43
-S-9
+S-9
*
cytotoxicity of positive control
Genotoxic effects:
Negative with and without S-9
Back-transformed mean mutant frequency
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Concentration ug/ml
0
10
15
30
62.5
125
200
300
Positive control
Test 1
89
-
-
102a
99a
80
104a
-
749c
Test 2
73
-
87
68
81
108
-
-
651c
Test 1
85
-
98
79
-
96
78
139b
593c
Test 2
88
98
86
-
96
82
-
-
377c
-S-9
+S-9
a – significance level compared to control, 5%
b – significance level compared to control, 1%
c – significance level compared to control, 0.1%
B.
Remarks:
Statistically significant increases in mutant
frequency were observed in test 1 in the absence
of S-9. However, these increases were small, less
than 20% greater than controls, and were only
found to be statistically significant due to the
very low variability within negative control
group. Only one statistically significant increase
in mutant frequency was observed in test 1 at the
highest concentration, in the presence of S-9.
However, none of the criteria for a clear positive
were fulfilled. Ethyl methane sulfonate and 20methylcholanthrene, the positive controls, induced
highly significant increases in mutant frequency
in both tests. It is concluded that 1-hexene does
not demonstrate mutagenic potential in this in
vitro gene mutation assay.
Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
Huntingdon Research Center (1990) 1-Hexene
in
Vitro Mammalian Cell Gene Mutation Assay (TK+/-).
Sponsored by Ethyl (unpublished
report).
Other:
This study was included in the dossier for 1hexene at SIAM 11. Additional information has been
added.
Chromosomal Aberration
(1)
Test Substance
Identity (purity):
CAS No. 592-41-6, 1-Hexene (NEODENE 6 alpha
olefin)
Method
Method/guideline:
Type:
System of testing:
GLP:
Year:
138
OECD 473
In-vitro mammalian chromosome aberration
test
non- bacterial
Yes
1983
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Cell line:
Metabolic activation:
Concentrations tested:
Statistical Methods:
Test Conditions:
Chinese Hamster Ovary (CHO) cells
With and without S9 fraction
No data
No data
Ethanol was the vehicle for the test material.
Single cultures were used for the assay and cells
were evaluated at 12 hours.
A repeat assay was performed in order to verify
the data produced in the initial assay.
Results
(2)
Cytotoxic conc.:
With metabolic activation: 0.61 mg/ml
Without metabolic activation: 0.067 mg/ml
Genotoxic effects:
Negative with and without metabolic
activation.
Remarks:
A single increase in aberrations was noted
in the first assay (with S-9) but was not
dose-related or reproduced in the second
assay. There was no evidence that the cell
cycle was not delayed.
Reliability:
(2) Reliable with restrictions: Study was
conducted at a reliable laboratory, but only
limited data were available for evaluation.
Flag:
Key study for SIDS endpoint
References:
Shell Development Company (1983) In Vitro
Chromosome Aberration Assay in Chinese
Hamster Cells of NEODENE 6 Alpha Olefin,
WTP-126 (unpublished report).
Other:
This study was included in the dossier for
1-hexene at SIAM 11.
Test Substance
Identity (purity):
CAS No. 592-41-6, 1-Hexene (99.06%)
Method
Method/guideline:
Type:
System of testing:
GLP:
Year:
Cell line:
Metabolic activation:
OECD 473
In-vitro mammalian chromosome aberration
test
non- bacterial
Yes
1990
Cultured human lymphocytes
With and without S9 fraction of livers from
Sprague Dawley rats pretreated with Aroclor
1254
Concentrations tested:
15.6, 62.5 and 125 mg/mL
Statistical Methods:
The number of aberrant metaphase figures in
each group was compared with the solvent
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control value using Fishers test. Any
apparent dose related trend was analysed
using Mantel’s test.
Test Conditions:
A preliminary solubility test showed that 1-hexene
was miscible in dimethylsulphoxide (DMSO) at a
maximum concentration of 100 mg/ml. A final
concentration of 1000 ug/ml in culture medium was
initially immiscible but became completely
miscible upon incubation at 37˚ C for five
minutes. Therefore, 1000 ug/ml was selected as the
maximum achievable concentration for further
analysis. Ethyl methane sulfonate (EMS) and
cyclophosphamide (CP) were used as positive
controls in the absence and presence of metabolic
activation, respectively. Lymphocytes were
separated from human blood, washed and suspended
at a concentration of 1 x 106 cells per ml. 5 ml
aliquots of the cell suspension were incubated at
37˚C in a humid atmosphere containing 5% CO2 for
approximately 48 hours. After 48 hours, 50 ul
aliquots of 1-hexene were added to each of two
duplicates to give final concentrations of 1000,
500, 250, 125, 62.5, 31.3, 15.6, 7.8, 3.9 and 2.0
ug/ml. The solvent control, DMSO, was added to 4
cultures in 50 ul aliquots and EMS, the positive
control, was added to two cultures at a final
concentration of 750 ug/ml. For testing in the
presence of metabolic activation 1.25 ml of S-9
mix was added to each culture followed by 62.5 ul
aliquots of various dilutions of 1-hexene giving
the same final concentrations as above. DMSO (62.5
ul) was added to four cultures and CP was added to
2 cultures at a final concentration of 20 ug/ml.
Cells were incubated for three hours after dosing.
Cells were then centrifuged and resuspended in
fresh medium and incubated for an additional 22
hours. Mitotic activity was arrested by addition
of colchicines, cells were fixed and slides were
prepared. Slides were examined by light microscopy
and the proportion of metaphase figures in each
culture was measured. The dose level causing a
decrease of 50 –80% of the solvent control value
or, if no decrease, the maximum achievable
concentration was used as the highest dose level
for metaphase analysis. The intermediate and low
dose were 50% and 12.5% of the highest
concentration. Approximately 100 metaphase figures
were examined from each culture.
Results
Cytotoxic conc.:
Concentrati
on ug/ml
-S-9
+S-9
140
Mitotic Index ([total # of mitotic cells/total #
cells] x 100)
0
2
8
7.
4
9.
3
11.
3
3.
9
5.
6
9.
7
7.
8
7.
2
9.
0
15.
6
6.3
31.
3
9.2
62.
5
7.5
8.5
8.4
7.4
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7
6.
6
25
0
1.
3
1.
5
50
0
-*
100
0
-*
-*
-*
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*No live cells observed due to excessive toxicity
125 ug/ml reduced the mitotic index to 46% and 58%
in the absence and presence of metabolic activity,
respectively. Therefore, 125 ug/ml was selected as
the high dose, while 62.5 and 15.6 ug/ml were
selected as the intermediate and low doses.
Genotoxic effects:
Negative with and without metabolic
activation.
Test
Material
-S-9
DMSO
1-hexene
1-hexene
1-hexene
EMS
+S-9
1-hexene
1-hexene
1-hexene
CP
* P<0.001
Concentration
ug/ml
No. cells
examined
No. of
aberrant
cells (%
mean)
10 ul/ml
15.6
62.5
125
750
100
100
100
100
100
0.25
0.50
0.50
0.50
6.50*
15.6
62.5
125
20
100
100
100
100
0.00
0.50
0.50
8.50*
In both the presence and absence of metabolic
activation, at all the concentrations of 1-hexene
analyzed, no statistically significant increases
in the proportion of metaphase figures containing
chromosomal aberrations were observed. Both
positive control compounds (EMS and CP) caused
statistically significant increases in the
proportion of aberrant cells, thus demonstrating
the sensitivity of the test system and the
efficacy of the S-9 mix.
C.
Remarks:
It is concluded that 1-hexene has shown no
evidence of clastogenic activity in this in vitro
cytogenetic test system.
Reliability:
(1) Reliable without restrictions
References:
Huntingdon Research Center (1990) 1-Hexene:
Metaphase Chromosome Analysis of Human Lymphocytes
Cultured in Vitro. Sponsored by Ethyl (unpublished
report).
Other:
This study was included in the dossier for 1hexene at SIAM 11. Additional information has been
added.
Other Genetic Effects
(1)
Test Substance
Identity (purity):
CAS No. 592-41-6, 1-Hexene
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Method
Method/guideline: OECD 482 except that independent repeat was not
conducted
Type:
In-vitro unscheduled DNA synthesis
System of testing:
Non-bacterial
GLP:
Yes
Year:
1984
Cell line:
Primary rat hepatocytes
Metabolic activation:
None
Concentrations tested: Rangefinding experiment: 32, 64, 128, 256,
512, 1024, 2048 and 5000 ug/ml
UDS experiment: 500, 2000, 3500 and 5000 ug/ml
Statistical Methods:
Test Conditions:
The test substance was considered positive
for unscheduled DNA synthesis (UDS) when the
mean net nuclear grain count at any
treatment level exceeded that of the
concurrent negative control by at least 6
grains per nucleus, and the value for the
negative control did not exceed 5. A dose
response was not needed.
Primary cultures of hepatocytes from livers of
freshly perfused F344 rats were exposed to the
test substance in the presence of 3H-thymidine.
Cytotoxicity was evaluated in a separate assay and
used as a basis for dosage selection. The
occurrence of UDS was visualized
autoradiographically and quantified with the aid
of microscopy.
A 10% solution of Pluronic® F68 Polyol in water
was used to emulsify the test substance. This was
diluted with medium so that the concentration of
F68 in the dosing preparations was 2.5%
(rangefinding) and 3.5% (UDS). Dosing
preparations were added to the cultures in
aliquots of 30 or 50 ul. This produced a culture
concentration of 0.025 and 0.035% F68,
respectively. The positive control was 2acetylaminofluorene (2-AAF) prepared using DMSO
and Pluronic® F68 Polyol and administered at 0.2
ug/ml 2-AAF in the final culture.
The cells were grown in 3 ml (UDS) or 5 ml
(rangefinding) Williams Medium E supplemented with
10% fetal bovine serum and insulin. Antibiotics
were included. During the exposure period, 0.1M
HEPES buffer, 2% by volume, and 0.1N HCL, 1% by
volume, were present in the medium. The cells were
cultured in plastic vessels. Incubation was in a
carbon dioxide-enriched (5%), humidified
atmosphere at 37°C. During the exposure period,
cultures were sealed.
RANGEFINDING EXPERIMENT: In the rangefinding
experiment, hepatocytes were harvested from one
male rat aged 11 weeks and weighing 250 g. Two
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cultures each were prepared for the negative
control, vehicle control and 8 levels of test
substance. Approximately 1 x 105 cells/ml were
seeded into each treatment culture and exposed to
the test substance for 18 hours. The cells were
then stained with trypan blue, fixed with
formalin, and counted for viability
determination. The culture vessel was taken as
the experimental unit. The average number of
viable cells per treatment group was determined.
The relative viability was then calculated as the
average number of viable cells in substancetreated cultures divided by that in the vehicle
control cultures. For the evaluation of toxicity,
at least 50% viability was desired. The final
choice of treatment levels was based on the
expectation that at least one level showed
toxicity.
UDS EXPERIMENT: In the UDS experiment,
hepatocytes were harvested from 1 male rat aged 13
weeks and weighing 270 g. Three cultures each
were prepared for the negative control, vehicle
control, positive control, and 4 levels of test
substance. Approximately 1 x 105 cells/ml were
seeded into each treatment culture and exposed to
3
H-thymidine and test substance for 18 hours.
Cells growing on coverslips were rinsed, exposed
to hypotonic solution, fixed, air dried and glued
to microscope slides on Day 2. On Day 3, the
slides were dipped in autoradiographic emulsion
and stored in the dark at 2-8°C. Autoradiographs
were developed, stained and coversliped on Day 13.
The number of grains overlying each of 50 randomly
selected nuclei per slide were counted
microscopically. The highest of 3 cytoplasmic
grain counts per cell was subtracted to obtain the
net nuclear grain count. The individual slide was
taken as the experimental unit. The average net
nuclear grain count per slide (sum of net nuclear
grain counts divided by 50) was calculated and the
mean net nuclear grain count (average net nuclear
grain count per slide divided by 3) was determined
for each treatment level.
Results
Cytotoxic conc.:
2.048 mg/ml
Genotoxic effects:
Remarks:
Negative
In the rangefinding experiment, 1-hexene was toxic
to primary hepatocytes at 2.048 mg/ml where 77%
relative viability was observed following an 18-hr
exposure period. At 5.0 mg/ml, the relative
viability was 56.7%. In the UDS experiment, both
positive and negative controls gave the expected
responses. Due to toxicity at 3.5 and 5.0 mg/ml 1hexene, only the 0.5 and 2.0 mg/ml levels were
evaluated for UDS. Results for these two dose
levels were negative for UDS.
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Reliability:
(2) Reliable with restrictions: No confirmatory
experiment was conducted.
References:
Gulf Life Sciences (1984) Hepatocyte Primary
Culture/DNA Repair Test of GULFTENE 6, project
#2071 (unpublished report).
Other:
This study was included in the dossier for 1hexene at SIAM 11. Additional information has been
added.
Test Substance
Identity (purity):
CAS No. 592-41-6, 1-Hexene
(GULFTENE 6)
Method
Method/guideline: Equivalent to USEPA TSCA 40 CFR 795.285 and ECC
B21, except that the assay was not repeated.
Type:
BALB/3T3 Transformation Test
System of testing:
Non-bacterial
GLP:
No
Year:
1983
Cell line:
Mouse embryo cells, BALB/3T3-A31-1-1
Metabolic activation:
None
Concentrations tested:
Rangefinding experiment: 32, 64, 128, 256,
512, 1024, 2048 and 5000 ug/ml
Transformation experiment: 256, 512, 1024,
2048 ug/ml
Statistical Methods:
A test was considered positive if there
were: 1) a two-fold increase in Type-III
foci at the highest dose over that seen in
vehicle control cultures, with or without a
dose-related response or 2) a two-fold
increase at two or more consecutive dose
levels. Where vehicle control cultures have
no Type-III foci, at least 2 foci would be
needed for a dose level to be considered
positive.
Test Conditions:
Cytotoxicity was evaluated in a separate assay and
used as a basis for dosage selection.
A 10% solution of Pluronic®F68 Polyol in water was
used to emulsify the test substance. This was
diluted with medium so that the concentration of
F68 in the dosing preparations was 2.5%. Dosing
preparations were added to the cultures in
aliquots of 50 ul. This produced a culture
concentration of 0.025% F68. The positive control
was 3-methylcholanthrene (3-MC) prepared using
DMSO and Pluronic® F68 Polyol and administered at
1 ug/ml 3-MC in the final culture.
The cells were received at Passage 14 after
origination of the subclone. The cells were
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subcultured once, tested for presence of
adventitious infectious agents and for capability
to respond to known transforming agents, and
frozen. Cultures used in testing were less than 4
additional passages from frozen stock. The cells
were grown in 5 ml Eagle’s Minimum Essential
Medium supplemented with 10% heat-inactivated
fetal calf serum. Antibiotics were included.
During the exposure period, 1M HEPES buffer, 2% by
volume, was present in the medium. The cells were
cultured in glass vessels. Incubation was in a
carbon dioxide-enriched (5%), humidified
atmosphere at 37°C. During the exposure period
only, cultures were sealed and placed in a vented
37°C incubator without carbon dioxide enrichment
or humidified atmosphere.
RANGEFINDING EXPERIMENT: Each treatment group
(medium, vehicle, and 8 levels of test substance)
consisted of two cultures. Approximately 1 x 104
cells were seeded into each treatment flask on Day
1. The cultures were exposed to the test substance
for 2 days, beginning on Day 2, then trypsinized
and counted on Day 4 with a Coulter Model ZB cell
counter. The culture vessel was taken as the
experimental unit. The average number of surviving
cells per treatment group was determined. The
relative survival was then calculated as the
average number of surviving cells in substancetreated cultures divided by that in the vehicle
control cultures. For the evaluation of toxicity,
at least 20% survival was desired. The final
choice of treatment levels was based on the
expectation that at least one level showed
toxicity.
TRANSFORMATION EXPERIMENT: Each group (medium
control, vehicle control, positive control, and 4
levels of test substance) consisted of 15 flask
cultures for transformation and 2 flask cultures
for cloning. Transformation flasks were seeded
with approximately 1 x 104 cells and cloning
flasks with approximately 100 cells on Day 1. The
cells were exposed to test substance for 2 days
beginning on Day 2. The medium was changed on all
cultures on Day 4. Cloning cultures were fixed and
stained for colony counting on Day 8. Colonies (at
least 50 cells) were counted visually and, where
required, examined microscopically. The medium was
changed weekly on all transformation flask
cultures. Fixation and staining of flask cultures
for focus counting and evaluation were on day 29.
Foci were counted visually and examined
microscopically to determine type.
The cloning efficiency was determined by dividing
the average number of colonies (at least 50 cells)
per flask by the number of cells seeded and
converting to a percent. The relative cloning
efficiency was determined by dividing the cloning
efficiency for each treatment group by the cloning
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efficiency for the vehicle control, and converting
to a percent. The transformation frequency for
each group was the total number of Type III foci
divided by the total number of flasks per group.
Results:
Cytotoxic conc.:
Concentrations of 32-5000 ug/ml were cytotoxic
Genotoxic effects:
(3)
Negative
Remarks:
In the rangefinding experiment, 1-hexene was toxic
to BALB/3T3 cells at 32 ug/ml when 67.6% viability
was observed following a 3-day exposure period.
Viability decreased slightly to 54.8% at 1024
ug/ml, then decreased sharply to 24.1% at 2048
ug/ml, and finally to 4% at 5000 ug/ml. In the
transformation experiment, cloning efficiency was
used as a measure of toxicity. Toxicity became
evident at 2048 ug/ml (57.9% relative cloning
efficiency). The positive control gave the
expected response. The negative controls were
within acceptable limits for the test. No
treatment level exceeded the negative controls for
Type III foci. Under the conditions of the test,
1-hexene was negative for cell transformation.
Reliability:
(2) Reliable with restrictions: There was no
repeat experiment.
References:
Goode, J.W. and Brecher, S. (1983) GULFTENE 6:
BALB/3T3 transformation test, Project 2072.
Sponsored by Gulf Life Sciences Institute,
Pittsburg, PA (unpublished report).
Other:
This study was included in the dossier for 1hexene at SIAM 11. Additional information has been
added.
Test Substance
Identity (purity):
CAS# 558-37-2, Neohexene (3,3dimethylbutene-1, 98.5% purity).
Method
Method/guideline: OECD 479
Type:
In vitro sister chromatid exchange (SCE) assay in
Chinese hamster ovary cells
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System of testing:
GLP:
Year:
Cell line:
Metabolic activation:
non- bacterial
Not specified
1988
Chinese Hamster Ovary (CHO) cells
With and without S9 fraction of livers from
Sprague-Dawley rats pretreated with Aroclor
1254
Concentrations tested:
0, 1.3, 4.4, 13.2, 44, and 132 µg/ml
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Statistical Methods:
Test Conditions:
Not specified
Solvent controls: dimethylsulfoxide (DMSO).
Positive controls: ethylmethanesulfonate (without
S9), cylcophosphamide (with S9).
The test substance was tested in cultured Chinese
hamster ovary (CHO) cells for induction of sister
chromatid exchanges (SCE) both in the presence and
absence of Aroclor 1254-induced Sprague-Dawley rat
liver S9. The test included concurrent solvent
and positive controls and five doses of the test
substance. The test substance was soluble in the
solvent (DMSO) at 100 mg/ml. The maximum dose
selected was 132 µg/plate based on observed growth
inhibition in an initial toxicity study.
Duplicate cultures were prepared for all dose
levels and controls. Cells were exposed to the
test substance for 2 hours, washed twice, and BrdU
added to each culture. Cells were sampled 24 hours
after BrdU addition; colcemid was added 2 hours
prior to fixation. Fifty second-division metaphase
cells were scored for frequency of SCEs/cell from
each dose level.
Results
Cytotoxic conc.:
132 µg/plate in the initial cytotoxicity
study.
Genotoxic effects:
Negative with and without metabolic
activation.
Remarks:
No increases in SCEs were noted in cultured CHO
cells treated with the test substance, with or
without S9.
Reliability:
(1) Reliable without restrictions
References:
5.7
Hazleton Laboratories America, Inc. (1982).
Neohexene: In vitro sister chromatid exchange
assay in Chinese hamster ovary cells. Conducted
for Phillips Petroleum Company (unpublished
report).
Genetic Toxicity in vivo
A.
Test Substance
Identity (purity):
CAS No. 68526-52-3, Alkenes, C6
Method
Method/guideline:
Type:
GLP:
Year:
Species:
Strain:
Sex:
Route of
EPA OTS 798.5395
Micronucleus Assay
Yes
1993
Mouse
B6C3F1
Male and female
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Administration:
Concentration levels:
Inhalation – saturated vapor
Target exposure of test substance: 1000 ppm;
Actual mean exposure: 1057 ppm (3638 mg/m3)
(saturated vapors, no aerosol).
Exposure period:
Statistical methods:
6 hours/day for 2 consecutive days
To determine the percentage of micronuclei, 1000
polychromatic erythrocytes from each animal were
examined for micronuclei. To determine the
percentage of polychromatic erythrocytes, the
number of polychromatic erythrocytes in a total of
1000 erythrocytes was determined. Statistical
analysis included calculation of means and
standard deviations of the micronuclei data and a
test of equality of group means by a standard one
way analysis of variance at each time period.
When the ANOVA was significant, comparisons of
carrier control to dosed group means were made
according to Duncan's Multiple Range Test. Data
from both males and females were analyzed as a
single group to facilitate comparisons to
published data.
Test Conditions:
For the purpose of this study, the test material was
considered to be free of impurities. Vapors were
generated by forcing the test material with a piston
pump through a glass cylinder with heating tape. Vapors
were drawn into the chamber with air flow at a rate of
200 liters/minute. Nominal and actual concentrations
were determined by net weight loss of the test material
and by gas chromatography, respectively. Animals were
approximately 8 to 10 weeks old at initiation of the
study. Five animals/sex were exposed to vapors of the
test substance for 6 hours per day on 2 consecutive
days. During each exposure, animals were observed
hourly. The positive control, cyclophosphamide in
water, was administered by oral gavage as a single dose
of 40 mg/kg to 5 animals/sex. The negative controls
(five animals/sex) received a sham exposure of air.
Animals from the treated and negative control groups
were sacrificed by carbon dioxide asphyxiation at
appropriately 24 hours after the second day of exposure.
Animals treated with cyclophosphamide were sacrificed 24
hours following dose administration. Immediately upon
sacrifice, the bone marrow was removed from both femurs
of each animal, resuspended, and prepared for
microscopy. Samples were blindly coded and stained with
acridine orange.
Results
Effect on
PCE/NCE ratio:
None
Genotoxic effects:
Negative
NOEL:
1057 ppm (3.638 mg/L) (saturated vapor)
Remarks:
148
The test material was not clastogenic since it did not
induce a statistically significant increase in the mean
number of micronucleated polychromatic erythrocytes,
indicating that the test substance is not clastogenic.
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In addition, the test substance did not induce a
statistically significant decrease in the mean percent
of polychromatic erythrocytes, indicating that the test
substance did not induce bone marrow toxicity. The
positive control did induce a statistically significant
increase in the mean number of micronucleated
polychromatic erythrocytes and was therefore
clastogenic. The sham control values for the mean
number of micronucleated polychromatic erythrocytes were
within the normal range for the negative control. Under
the conditions of this assay, Alkenes, C6 are not
clastogenic following inhalation exposure in mice.
B.
Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
Exxon Biomedical Sciences, Inc. (1991c) Alkenes, C6: In
vivo mammalian bone marrow micronucleus assay:
inhalation dosing method (unpublished report).
Test Substance
Identity (purity):
CAS No. 68526-52-3, Alkenes, C6
Method
Method/guideline:
Type:
GLP:
Year:
Species:
Strain:
Sex:
Route of
Administration:
Concentration levels:
EPA OTS 798.5395
Micronucleus Assay
Yes
1991
Mouse
B6C3F1
Male and female
Oral gavage
1.25, 2.5, and 5 g/kg. Concentrations were based
on the results of a range-finding study.
Exposure period: Single dose
Statistical methods:
To determine the percentage of micronuclei, 1000
polychromatic erythrocytes from each animal were
examined for micronuclei. To determine the
percentage of polychromatic erythrocytes, the
number of polychromatic erythrocytes in a total of
1000 erythrocytes was determined. Statistical
analysis included calculation of means and
standard deviations of the micronuclei data and a
test of equality of group means by a standard one
way analysis of variance at each time period.
When the ANOVA was significant, comparisons of
carrier control to dosed group means were made
according to Duncan's Multiple Range Test. A
standard regression analysis was performed to test
for a dose response. Sexes were analyzed
separately.
Test Conditions:
Animals were approximately 7 to 8 weeks old at
initiation of the study.
The test material and the carrier (corn oil) were
administered by oral gavage as a single dose to 15 mice
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per sex per dose (not fasted). For the purpose of this
study, the test material was considered to be free of
impurities. The positive control, cyclophosphamide, was
administered by intraperitoneal injection as a single
dose of 40 mg/kg. Animals from the appropriate groups
(5 animals/sex/group) were sacrificed by carbon dioxide
asphyxiation at appropriately 24, 48 and 72 hours after
dose administration. Animals dosed with
cyclophosphamide were sacrificed at 24 hours only.
Immediately upon sacrifice, the bone marrow was removed
from both femurs of each animal, resuspended, and
prepared for microscopy. Samples were blindly coded and
stained with acridine orange.
GLP Deviations: Analysis of the material stability and
purity were the responsibility of the study sponsor, it
is not known whether these procedures were performed.
Results
Effect on
PCE/NCE ratio:
Genotoxic effects:
None
Under the conditions of this study,
were clastogenic to the bone marrow
when administered by oral gavage at
hours prior to analysis, but not at
hours post-exposure.
Alkenes, C6
of B6C3F1 mice
5.0 g/kg 24
48 and 72
NOEL:
2.5
g/kg
Remarks:
The test material induced a statistically significant
increase in the mean number of micronucleated
polychromatic erythrocytes per 1000 cells at 5.0 g/kg
for the 24-hour males and females (6.8 +/- 3.12 and 5.4
+/- 2.1, respectively). The mean number of
micronucleated polychromatic erythrocytes for the
positive controls at 24 hours for males and females were
36.2 +/- 10.5 and 30.4 +/- 9.0 and the negative controls
were 2.4 +/- 0.9 and 2.6 +/- 1.5. The increase in
micronucleated polychromatic erythrocytes observed at 24
hours was dose-related. However, at 48 and 72 hours
after the initial exposure, the mean number of
micronuclei did not differ between the control and
treated groups. The test substance did not induce a
statistically significant decrease in the mean percent
of polychromatic erythrocytes, indicating that the test
substance is not toxic to bone marrow. The positive
control induced significant increases in the mean number
of micronucleated polychromatic erythrocytes. The
positive control also induced a statistically
significant decrease in the mean percent of
micronucleated polychromatic erythrocytes in male mice.
Carrier control values for the mean percent of
micronucleated polychromatic erythrocytes and the mean
number of micronucleated polychromatic erythrocytes were
within the normal range for the negative controls.
Alkenes, C6 produced a slight, transient increase in
micronucleated polychromatic erythrocytes at the highest
level by oral gavage. However, given that inhalation is
the primary route of industrial exposure, a micronucleus
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study was repeated with inhalation as the route of
administration. This study produced negative results
(Section 5.7.A). In addition, Alkenes, C6 are not
mutagenic in vitro. Collectively, these data suggest
that Alkenes, C6 are not expected to be genotoxic.
Reliability:
C.
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
Exxon Biomedical Sciences, Inc. (1991b) Alkenes, C6: In
vivo Mammalian Bone Marrow Micronucleus Assay: Oral
Gavage Method (unpublished report).
Test Substance
Identity (purity):
CAS No. 592-41-6, 1-Hexene (GULFTENE 6)
Method
Method/guideline: OECD 474
Type:
Micronucleus Assay
GLP:
Yes
Year:
1983
Species:
Mouse
Strain:
Crl:CD-1 (ICR)BR
Sex:
Male and female
Route of
Administration:
Inhalation – vapor
Concentration levels:
Target exposure of test substance: 1000, 10,000,
25,000 ppm (3442, 34,421, 86,053 mg/m3); Actual
mean exposure (TWA): Day 1 = 991, 10758, 25302 ppm
(3.4, 37, 87 g/m3 ); Day 2 = 1244, 10272, 23271ppm
(4.3, 35, 80 g/m3 )
Exposure period:
Statistical methods:
Test Conditions:
2 hours/day for 2 consecutive days
Statistical analysis included calculation of means
and standard deviations of the body weight and
micronuclei data and a test of equality of group
means by a student’s t-test at each time period.
The data were also compared to those in pertinent
historical data files. Data from males and
females were analyzed separately. The test would
be considered positive if there were a significant
increase in micronucleated PCEs at any dose level
and if a dose-related response were evident.
The test substance was aerosolized with a ball-jet
nebulizer using clean, filtered air. To achieve 1000
ppm, air was passed over the liquid surface and the
resultant vapor diluted further with air. To achieve
10,000 and 25,000 ppm, the test substance was drawn
through a submerged feeding tube to the nebulizer jet.
The released vapor was diluted with air as needed. The
negative control group received only clean, filtered
air. The chambers were sampled before and during the
treatment interval. Nominal and actual concentrations
were determined by net weight loss of the test material
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and by gas chromatography, respectively. Particle size
was determined once daily for each exposure chamber with
an aerodynamic particle sizer. Results indicate that the
particulate matter was less than 1% by weight of the
chamber atmosphere.
Mice (45 each) were 12 weeks of age and weighed 35-43 g
(males) and 26-33 g (females) at the start of treatment.
Test substance and the sham air negative control were
administered to 10 animals/sex/per group on Day 1 and 2.
The positive control, cyclophosphamide (7.5 mg/ml in
0.9% sodium chloride), was administered by
intraperitoneal injection as a single dose of 75 mg/kg
to 5 animals/sex on Day 1. Animals were weighed on Days
1, 3, and 4 and observed daily. Animals from each group
were sacrificed on Day 3 and 4 except that animals given
cyclophosphamide were sacrificed only on Day 3.
Immediately after sacrifice, bone marrow smears were
prepared. Samples were stained with May-Grunwald and
Giemsa stains and examined microscopically. To
determine the percentage of micronuclei, 1000 PCE from
each animal were examined for micronuclei. To determine
the percentage of PCE, the number of PCE in a total of
1000 erythrocytes was determined.
Results
Effect on
PCE/NCE ratio:
An equivocal decrease in the ratio of PCE to
normochromatic erythrocytes (NCE) was observed in test
substance treated females at all dose levels on Day 3
(PCE/NCE = 1.6, 1.2, 0.9, 1.1 for 0, 1000, 10000, 25000
ppm, respectively)
Genotoxic effects:
Negative
NOEL:
25,000 ppm
Remarks:
(86,053 mg/m3) (nominal, vapor)
One male mouse died on Day 3 due to wounds received from
another male. Treatment-related findings were lethargy
and rapid respiration during exposure to 10,000 and
25,000 ppm. Recovery was rapid when the mice were
returned to an air atmosphere. There was no treatmentrelated change in body weight.
The test material did not induce a statistically
significant increase in the mean number of
micronucleated polychromatic erythrocytes, indicating
that the test substance is not clastogenic. The
positive control did induce a statistically significant
increase in the mean number of micronucleated
polychromatic erythrocytes.
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Reliability:
(1) Reliable without restrictions
References:
Gulf Life Sciences (1983) Micronucleus Test in Mouse
Bone Marrow: GULFTENE 6 Administered by Inhalation
Using 2 Daily 2-Hour Treatments, project #82-119
(unpublished report).
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Other:
5.8
This study was included in the dossier for 1-hexene at
SIAM 11. Additional information has been added.
Carcinogenicity
No data available
5.9
Reproductive Toxicity (including Fertility and Developmental Toxicity).
A.
Fertility
(1)
Test Substance
Identity:
Remarks:
CAS No. 68526-52-3, Alkenes C6, internal branched
Composition: C5 n-olefins = 0.5%, C5 iso-olefins =
1.3%, C6 n-olefins = 10.4%, C6 iso-olefins =
55.6%, C5 n-paraffins = 3.3%, C5 iso-paraffins =
9.3%, C6 iso-paraffins = 17.8%, C7 iso-olefins =
1.0%
Method
Method/guideline: OECD 422
Test type: Combined repeated dose toxicity study with
reproduction/developmental toxicity screening test
GLP:
Yes
Year:
2002
Species:
Rat
Strain:
Sprague-Dawley Crl:CD®(SD)IGS BR
Route of
Administration:
Oral gavage
Concentration levels:
0, 100, 500 or 1000 mg/kg b.w./day
Sex:
Males and females
Control group
and treatment:
Concurrent vehicle control (corn oil)
Frequency of
treatment:
Daily
Duration of test:
Up to 53 days (reproduction phase), see
Remarks
Premating exposure
period for males:
14 days
Premating exposure
period for females:
14 days
Statistical methods:
Data for the reproduction/developmental
screening study, including body weights,
body weight gain, food consumption and mean
live litter size were analyzed by One-Way
Analysis of Variance (ANOVA). If
significance was detected, control to
treatment group comparisons were performed
using Dunnett’s test. Count data were
analyzed using R x C Chi-Square test
followed by Fishers Exact Test for
copulation and fertility indices, pup sex
ratios, the number of live and dead pups per
group (on lactation day 0) and pup survival
(after lactation day 0). All analyses were
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two-tailed with a minimum significance level
of 5% (p<0.05).
Test Conditions:
This study was conducted to: (1) provide screening
information on the repeated-dose systemic toxicity
of the test substance, with emphasis on potential
neurological effects, and (2) serve as a
screening study for potential reproductive and
developmental effects in male and female rats.
REPRODUCTIVE TOXICITY PHASE (see Section 5.5.A for
the test conditions for general toxicity phase,
including information for reproductive toxicity
phase males): On the day following receipt,
animals were approximately 9 wks of age and
weighed 237 – 296 g (males) and 183 - 234 g
(females). Animals were acclimated for 17 days
prior to dosing. The study consisted of one
control group and three treatment groups with 12
animals in each group. Animals were dosed for a
minimum of 14 days prior to mating and continuing
through lactation day 3. Detailed clinical
observations were performed a minimum of weekly
until evidence of mating was detected, daily
during gestation and lactation and on the day of
scheduled euthanasia. Individual body weights were
recorded on days 0, 3, 7 and 12 prior to mating.
When positive evidence of mating was detected, the
females were weighed on gestation days 0, 7, 14,
and 20. Following parturition, the females were
weighed on lactation days 1 and 4. Females without
evidence of mating were weighed twice weekly until
euthanasia. Individual food consumption was
recorded on the same days as body weights (except
during cohabitation). Following a minimum of 14
days of treatment, each female was cohabited with
a single male from the same treatment group (1:1
pairing) in the toxicity study. Each mating pair
was observed daily for evidence of copulation.
Evidence of mating was determined by the presence
of a copulatory plug in the vagina or a sperm
positive vaginal smear. The day evidence of
copulation was confirmed was designated as day 0
of gestation and the female was returned to her
cage. If no evidence of copulation was observed
after 14 days of mating, the female was separated
from the male and the mating phase was concluded.
On gestation day 18, females with confirmed
copulation were transferred to individual nesting
boxes. The females and their offspring remained
together until lactation day 4. All animals were
subjected to a complete gross necropsy examination
at the time of death or euthanasia (lactation day
4 or post-breeding period day 25). Females with
total litter loss were euthanized on the day that
no surviving pups remained. Organ weights (liver,
kidneys, adrenals, thymus, spleen, brain and
heart) were recorded from surviving animals and
the following tissues and organs were preserved
from all animals: all gross lesions, accessory
genital organs, adrenals, aorta, brain, cecum,
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colon, duodenum, esophagus, exorbital lachrymal
glands, eyes with optic nerve, femur, heart,
ileum, jejunum, kidneys, liver, lungs, mammary
gland, mesenteric/mandibular/ mediastinal lymph
nodes, ovaries, pancreas, peripheral nerve,
pituitary, rectum, skeletal muscle, skin, spinal
cord, spleen, sternum with bone marrow, stomach,
submaxillary salivary gland, testes, thymus,
thyroid, parathyroid, tongue, trachea, and urinary
bladder. All tissues and organs collected at
necropsy from males in the control and high-dose
groups and animals found dead, gross lesions from
males in the low- and mid-dose groups, and all
gross lesions in F0 females were examined
microscopically. The following parameters were
recorded for each pup during lactation: viability
(daily from days 0 – 4), external examinations and
sex determinations (days 0 and 4); and body
weights (days 1 and 4). Pups that were stillborn
or died were subjected to a gross necropsy
examination, with emphasis on developmental
morphology. All internal gross lesions (except
atelectasis; and scabbing, subcutaneous hemorrhage
or other lesions resulting from apparent
cannibalism) were preserved. All surviving pups
were euthanized on lactation day 4 and examined
macroscopically for structural abnormalities or
other pathologi-cal changes. All gross lesions
were preserved.
Results
NOAEL (NOEL):
NOAEL (reproductive toxicity, paternal and F1) =
1000 mg/kg/day (study author assigned)
Actual dose received
by dose level by
sex if known:
As administered. Analysis of dosing mixtures
confirmed that mixtures were accurately prepared.
Remarks:
No test article-related mortality occurred in
males or F0 females. One F0 female in the 500
mg/kg/day group was found dead on lactation day 0.
No adverse clinical signs were observed for this
female prior to death. One other F0 female in the
500 mg/kg/day group was euthanized due to total
litter loss on lactation day 2, the day all pups
in the litter were found dead. This female had
apparent dystocia. The animal appeared to have a
blockage in the vaginal area; slight pressure was
applied and 2 pups were delivered. The female
delivered a total of 17 pups (2 live and 15 dead).
Clinical signs including eyelids partially closed,
eyes and skin pale in color and labored breathing
were noted for this female following the onset of
parturition. Two females in the 100 mg/kg/day
group and one female in the 1000 mg/kg/day group
with no evidence of mating were euthanized on
post-breeding period day 25. No remarkable
clinical signs were observed for these females.
All other females survived to scheduled euthanasia
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on lactation day 4. Most clinical signs observed
for the surviving F0 females were generally
unremarkable and did not appear to follow any dose
response pattern. However, a low incidence of
post-dose salivation was seen in 4 of 12 females
in the 1000 mg/kg/day group. Post-dose salivation
was observed for males (11/12) in the 1000
mg/kg/day group. Remarkable clinical signs in
males in the 500 mg/kg/day group were limited to a
single incidence of post-dose salivation in 1
male. No remarkable clinical signs were observed
for males in the 100 mg/kg/day group.
There were no statistically significant or
toxicologically meaningful differences noted in
mean body weights or body weight gain for males or
for F0 females, or food consumption for males.
Mean food consumption of F0 females in the 1000
mg/kg/day group was statistically higher than
controls during gestation days 14-20. This
difference was not considered toxicologically
meaningful since it did not follow a consistent
pattern and was an increase rather than a
decrease.
The F0 female mating index was 100%, 83.3%, 100%
and 91.7% in the 0, 100, 500 and 1000 mg/kg/day
groups, respectively. The F0 female fertility
index was 100% in the control and test articletreated groups. The F0 mean gestation length was
21.9, 22.0, 21.8 and 21.7 days in the 0, 100, 500
and 1000 mg/kg/day groups, respectively. Totals of
12, 10, 12 and 11 F0 females in the 0, 100, 500
and 1000 mg/kg/day groups, respectively, completed
delivery.
The mean number of F1 pups delivered and the live
birth index were comparable between the control
and test substance-treated groups. However, the
viability index of pups in the 500 mg/kg/day group
was statistically lower than controls. This
difference was not considered toxicologically
meaningful since a similar difference was not
noted for pups in the 1000 mg/kg/day group. The
mean number of implantation sites and mean number
of corpora lutea were comparable between the
control and test substance-treated groups. The
mean live pups per litter and the pup sex ratio
were comparable between the control and test
substance-treated groups on lactation days 0 and
4. Mean pup weights were slightly but not
statistically lower than controls in the 500
mg/kg/day group on lactation day 1 (6.8 g) and in
the 1000 mg/kg/day group on lactation days 1 and 4
(6.7 and 9.3 g, respectively). However, the mean
body weights in these groups were within the range
of the laboratory’s historical control data (i.e.,
6.5-7.5 g on lactation day 1 and 8.5-11.1 g on
lactation day 4). Mean pup weights in the 100
mg/kg/day group were comparable to controls on
lactation days 1 and 4.
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No remarkable gross necropsy findings were noted
for surviving F0 females in the control or test
substance-treated groups, and there were no
toxicologically meaningful differences in absolute
or relative organ weights between the groups. No
toxicologically meaningful microscopic findings
were noted for F0 females in the treated groups.
( See Section 5.5.A for additional general
toxicity results for males and females; and
Section 5.9.B(1) for developmental toxicity
results.)
(2)
Reliability:
(1) Reliable without restrictions.
Flag:
Key study for SIDS endpoint.
References:
Thorsrud, B.A. (2003) A combined repeated dose
toxicity study and reproduction/developmental
screening study in Sprague Dawley rats with (C6)
alkenes, Study No. 3604.2, Springborn
Laboratories, Inc., Ohio Research Center,
Spencerville, Ohio; conducted for American
Chemistry Council (Higher Olefins Panel)
(unpublished report).
Test Substance
Identity (purity):
Remarks:
CAS No. 592-41-6, 1-Hexene
Three test articles were blended to produce the
final test article consisting of 90-100% 1-hexene
(NEODENE 6, GULFTENE 6 and alpha olefin 6).
Method
Method/guideline: 0ECD 421 (modified) (see Sec. 5.5.D for general
toxicity endpoints)
Type:
Reproduction/Developmental Toxicity Screening
Study
GLP:
Yes
Year:
1995
Species:
Rat
Strain:
Sprague-Dawley
Route of
administration:
Oral gavage
Concentration levels:
0, 100, 500, 1000 mg/kg/day
Sex:
Male and female
Control group
and treatment:
Corn oil by oral gavage
Frequency of treatment: Daily
Duration of test:
Males: 44 days; females: 41-55 days
Premating exposure
period for males:
28 days
Premating exposure
period for females:
14 days
Statistical methods:
Continuous data, including body weights,
body weight gain, feed consumption, organ
weights, pup body weights, gestation length,
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mean live litter size and implantation scar
counts were analyzed by using a One-Way
analysis of Variance. If significance
[P<0.05] was detected, group by group
comparisons were performed using Dunnett’s
test. Count data were analyzed utilizing
Chi-Square test for copulation and fertility
indices, pup sex ratios, the number of live
and dead pups per group on lactation day 0
and pub survival after lactation day 0. All
analyses utilized two-tailed tests for a
minimum significance level of 5% comparing
the control to the treated groups.
Test Conditions:
12 male rats (195-242 g, 6 weeks old) per group
were exposed for 28 days prior to mating, and
through mating until euthanasia for a total of 44
consecutive days of dosing; 12 females (163-219
g, 8 weeks old) per group were dosed for 14 days
prior to mating, during mating, gestation and
lactation through euthanasia at lactation day 4
[41-55 consecutive days]. Dose levels were 0,
100, 500, 1000 mg/kg/day in a corn oil vehicle [5
mL/kg]. Viability and development of the pups were
followed through lactation day 4. Animals were
observed daily for clinical signs of toxicity.
Body weights and food consumption were determined
weekly. Each male was cohabited with one female
and observed daily for evidence of copulation. If
no evidence of copulation was confirmed after 10
days of cohabitation, the female was separated
from the first male and placed with a second
(proven) male for a maximum of 5 days. Females
that delivered were necropsied on lactation day 4.
Females that failed to deliver were necropsied 25
days after evidence of mating was detected. For
females, the number of uterine implantation scars
was recorded and the ovaries and brain were
weighed. For males, after 43 days of dosing, the
viscera were examined, and brain, testes and
epididymides weighed. The ovaries, testes,
epididymides, liver, kidneys, and peripheral
(sciatic) nerve of control and high dose animals,
the kidneys of the low and mid dose animals, and
all gross lesions from each group, were processed
for microscopic examination. Pup viability,
weight, and a detailed examination of the pups
including sex determination, were performed on
lactation days 0 and 4. All intact pups dying
prior to lactation day 4 were necropsied and
examined with emphasis on developmental
morphology.
Results
NOEL:
NOEL for P generation (reproductive effects) >1000
mg/kg;
NOEL for F1 generation > 1000 mg/kg/day
Actual dose received
by dose level by
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sex if known:
As administered. Analysis of dosing mixtures
confirmed that mixtures were accurately prepared.
Maternal and Paternal
general toxicity:
(3)
see Sec. 5.5.D
Reproductive toxicity
observed in parental
animals:
none
Reproductive toxicity
observed in offspring:
none
Remarks:
There was no evidence of impaired reproductive
capabilities in the F0 generation, as measured by
effects on copulation and fertility, precoital
intervals, gestation length, time to delivery or
unusual nesting behaviour.
Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
Gingell, R., Daniel, E.M., Machado, M, and Bevan,
C. (2000) Reproduction/developmental toxicity
screening test in rats with orally-administered 1Hexene. Drug and Chem. Toxicology 23(2)327-338.
Other:
This study was included in the dossier for 1hexene at SIAM 11. Additional information has been
added.
Test Substance
Identity (purity):
CAS No. 592-41-6, 1-Hexene (99+%, NEODENE 6
alpha olefin)
Method
Method/guideline: 0ECD 413 (see Section 5.5.B for general toxicity
endpoints)
Type:
90-day subchronic inhalation toxicity study
GLP:
Yes
Year:
1984
Species:
Rat
Strain:
F344
Route of
administration:
Inhalation
Concentration levels:
0, 300, 1000, 3000 ppm (0, 1033, 3442,
10,326 mg/m3 )
Sex:
Males and females
Control group
and treatment:
Air exposed
Freq. of treatment:
6 hr/day, 5 days/week, 13 weeks
Duration of test:
13 weeks
Statistical methods:
Unadjusted body weights were analyzed by
Dunnet’s test. Organ weights, clinical
chemistry, hematology, urinalysis, and
organ-to-body weight ratio data were
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analyzed by Dunnett’s t-test on ranked data.
The Rotarod data for neuromuscular
coordination were adjusted by summing the
time for the best 3 of 4 trials for each
rat.
Test Conditions:
The objective of this study was to evaluate the
toxicity of 1-hexene following repeated inhalation
exposures in male and female Fischer 344 rats.
Groups of young 40 male and 40 female rats (125160 g at study initiation) were exposed for 6
hours per day, 5 days per week, over a 13-week
period. Treatment groups (10 rats/sex/group)
consisted of air-exposed control (0 ppm) and three
test groups of 300, 1000, and 3000 ppm 1-hexene.
During the treatment period, the rats were
observed daily for clinical signs of toxicity;
body weights were measured at 7-day intervals.
After 7 weeks of exposure and at the end of the
treatment period, the rats were subject to
macroscopic and microscopic pathology, clinical
chemistry, hematology, urinalysis, and sperm
counts. Reproductive organ examined at necropsy:
right testicle without epididymides. Reproductive
organs examined microscopically: right testicle
and epididymides. (See Section 5.5.B for details
for general toxicity endpoints.). The left
testicle from each male rat in the main study at
the interim and final sacrifice was used for sperm
enumeration. The testis was detunicated, weighed,
homogenized and sonicated in distilled water, and
aliquots of homogenate were removed for sperm head
count determination. Counts were performed with a
hemocytometer and phase-contrast microscopy.
Results
NOAEL:
The NOEL for reproductive effects from the limited
data for reproductive organs and sperm counts in
the 90-day study appears to be at the midconcentration of 1000 ppm.
Actual dose received
by dose level by sex:
Remarks:
0, 300, 1000, 3000 ppm
Please see Repeated Dose Toxicity Section 5.5.B
for general toxicity results.
At terminal sacrifice, there appeared to be a
dose-related increase in testes weight which was
statistically significant at the highest exposure
concentration of 3000 ppm (see page 189 of the
original study); however, when the left testicle
was detunicated prior to weighing, there was no
statistically significant increase in testis
weight compared with the controls. This increase
in testes weight did not appear to be accompanied
by any histopathology nor any apparent effect on
sperm count. Sperm morphology and motility were
not evaluated. An increase in sperm counts and
testis weight in all animals at terminal sacrifice
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was observed when compared to the interim
sacrifice (page 121 vs 189 in the original study),
however, the increase was considered to be
attributed to the increase in age of the animal.
Since testes weight measurements in and of
themselves do not indicate the exact nature of an
effect, a significant increase or decrease is
indicative of an adverse effect. In this case,
there was no histopathology and the sperm counts
were within control range. However, damage to the
testes may be detected as a weight change only at
doses higher than those required to produce
significant effects in other measures of gonadal
status and it appears that only a minimal
evaluation of gonadal status was conducted in this
90-day study. As a result the significance of
increases in testes weight is unclear.
Reliability:
(1) Reliable without restrictions
References:
Gingell R, Bennick JE, and Malley LA., 1999.
Subchronic inhalation study of 1-hexene in Fischer
344 rats Drug Chem Toxicol. 22(3):507-28.
[USEPA review of unpublished Shell Development
Company report (90-Day Vapor Inhalation Study in
Rats with NEODENE 6 Alpha Olefin, WTP-207, 1984)
conducted by Katherine Anitole [8/26/99.]
Other:
B.
This study was included in the dossier for 1hexene at SIAM 11. Additional information has been
added.
Developmental Toxicity
(1)
Test Substance
Identity:
Remarks:
CAS No. 68526-52-3, Alkenes C6, internal branched
Composition: C5 n-olefins = 0.5%, C5 iso-olefins =
1.3%, C6 n-olefins = 10.4%, C6 iso-olefins =
55.6%, C5 n-paraffins = 3.3%, C5 iso-paraffins =
9.3%, C6 iso-paraffins = 17.8%, C7 iso-olefins =
1.0%
Method
Method/guideline: OECD 422
Test type:
Combined repeated dose toxicity study with
reproduction/developmental toxicity screening test
GLP:
Yes
Year:
2002
Species:
Rat
Strain:
Sprague-Dawley Crl:CD®(SD)IGS BR
Route of
Administration:
Oral gavage
Concentration levels:
0, 100, 500, or 1000 mg/kg b.w./day
Sex:
Males and females
Control group
and treatment:
Concurrent vehicle control (corn oil)
Frequency of
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treatment:
Duration of test:
Daily
Up to 53 days (reproduction phase), see
Remarks
Premating exposure
period for males:
Premating exposure
period for females:
Statistical methods:
Test Conditions:
14 days
14 days
Data for the reproduction/developmental
screening study, including body weights,
body weight gain, food consumption and mean
live litter size were analyzed by One-Way
Analysis of Variance (ANOVA). If
significance was detected, control to
treatment group comparisons were performed
using Dunnett’s test. Count data were
analyzed using R x C Chi-Square test
followed by Fishers Exact Test for
copulation and fertility indices, pup sex
ratios, the number of live and dead pups per
group (on lactation day 0) and pup survival
(after lactation day 0). All analyses were
two-tailed with a minimum significance level
of 5% (p<0.05).
This study was conducted to: (1) provide screening
information on the repeated-dose systemic toxicity
of the test substance, with emphasis on potential
neurological effects, and (2) serve as a
screening study for potential reproductive and
developmental effects in male and female rats.
REPRODUCTIVE TOXICITY PHASE: See Section 5.5.A
for test conditions for the general toxicity
phase, and Section 5.9.A(1) for test conditions
for the reproductive toxicity phase.
Results
NOAEL (NOEL):
NOAEL (maternal and developmental toxicity) =
1000 mg/kg/day (study author assigned)
Actual dose received
by dose level by
sex if known:
As administered. Analysis of dosing mixtures
confirmed that mixtures were accurately prepared.
Remarks:
See Section 5.5A for general toxicity results, and
Section 5.9.A(1) for additional reproductive
toxicity results.
The mean number of F1 pups delivered and the live
birth index were comparable between the control
and test substance-treated groups. However, the
viability index of pups in the 500 mg/kg/day group
was statistically lower than controls. This
difference was not considered toxicologically
meaningful since a similar difference was not
noted for pups in the 1000 mg/kg/day group. The
mean number of implantation sites and mean number
of corpora lutea were comparable between the
control and test substance-treated groups. The
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mean live pups per litter and the pup sex ratio
were comparable between the control and test
substance-treated groups on lactation days 0 and
4. Mean pup weights were slightly but not
statistically lower than controls in the 500
mg/kg/day group on lactation day 1 (6.8 g) and in
the 1000 mg/kg/day group on lactation days 1 and 4
(6.7 and 9.3 g, respectively). However, the mean
body weights in these groups were within the range
of the laboratory’s historical control data (i.e.,
6.5-7.5 g on lactation day 1 and 8.5-11.1 g on
lactation day 4). Mean pup weights in the 100
mg/kg/day group were comparable to controls on
lactation days 1 and 4.
There were no toxicologically meaningful
differences in pup observations during lactation.
There appeared to be a slight increase in the
incidence of subcutaneous hemorrhage(s) and pups
small in size (qualitative measurement) for F1
pups in the 1000 mg/kg/day group during lactation
days 0-4. However, these changes were not
considered toxicologically meaningful since the
subcutaneous hemorrhages were distributed over
many parts of the body and the pup body weights
were within the historical control range. No other
remarkable findings were noted in the pups during
lactation.
No remarkable gross necropsy findings were noted
for pups found dead during the study or euthanized
at study termination. A low incidence of commonly
occurring findings was noted sporadically
throughout the groups; but, none of the findings
followed a consistent pattern or dose response.
(2)
Reliability:
(1) Reliable without restrictions.
Flag:
Key study for SIDS endpoint.
References:
Thorsrud, B.A. (2003) A combined repeated dose
toxicity study and reproduction/developmental
screening study in Sprague Dawley rats with (C6)
alkenes, Study No. 3604.2, Springborn
Laboratories, Inc., Ohio Research Center,
Spencerville, Ohio; conducted for American
Chemistry Council (Higher Olefins Panel)
(unpublished report).
Test Substance
Identity (purity):
Remarks:
CAS No. 592-41-6, 1-Hexene
Three test articles were blended to produce the
final test article consisting of 90-100% 1- hexene
(NEODENE 6, GULFTENE 6 and alpha olefin 6).
Method
Method/guideline: 0ECD 421 (modified)
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Type:
Reproduction/Developmental Toxicity Screening
Study
Yes
1995
Rat
Sprague-Dawley
GLP:
Year:
Species:
Strain:
Route of
administration:
Concentration levels:
Sex:
Control group
and treatment:
Frequency of treatment:
Duration of test:
Premating exposure
period for males:
Premating exposure
period for females:
Statistical methods:
Test Conditions:
164
Oral gavage
0, 100, 500, 1000 mg/kg/day
Male and female
Corn oil by oral gavage
Daily
Males: 44 days; females: 41-55 days
28 days
14 days
Continuous data, including body weights,
body weight gain, feed consumption, organ
weights, pup body weights, gestation length,
mean live litter size and implantation scar
counts were analyzed by using a One-Way
analysis of Variance. If significance
[P<0.05] was detected, group by group
comparisons were performed using Dunnett’s
test. Count data were analyzed utilizing
Chi-Square test for copulation and fertility
indices, pup sex ratios, the number of live
and dead pups per group on lactation day 0
and pub survival after lactation day 0. All
analyses utilized two-tailed tests for a
minimum significance level of 5% comparing
the control to the treated groups.
12 male rats (195-242 g, 6 weeks old) per group
were exposed for 28 days prior to mating, and
through mating until euthanasia for a total of 44
consecutive days of dosing; 12 females (163-219
g, 8 weeks old) per group were dosed for 14 days
prior to mating, during mating, gestation and
lactation through euthanasia at lactation day 4
[41-55 consecutive days]. Dose levels were 0,
100, 500, 1000 mg/kg/day in a corn oil vehicle [5
mL/kg]. Viability and development of the pups were
followed through lactation day 4. Animals were
observed daily for clinical signs of toxicity.
Body weights and food consumption were determined
weekly. Each male was cohabited with one female
and observed daily for evidence of copulation. If
no evidence of copulation was confirmed after 10
days of cohabitation, the female was separated
from the first male and placed with a second
(proven) male for a maximum of 5 days. Females
that delivered were necropsied on lactation day 4.
Females that failed to deliver were necropsied 25
days after evidence of mating was detected. For
females, the number of uterine implantation scars
was recorded and the ovaries and brain were
weighed. For males, after 43 days of dosing, the
viscera were examined, and brain, testes and
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epididymides weighed. The ovaries, testes,
epididymides, liver, kidneys, and peripheral
(sciatic) nerve of control and high dose animals,
the kidneys of the low and mid dose animals, and
all gross lesions from each group, were processed
for microscopic examination. Pup viability,
weight, and a detailed examination of the pups
including sex determination, were performed on
lactation days 0 and 4. All intact pups dying
prior to lactation day 4 were necropsied and
examined with emphasis on developmental
morphology.
Results
NOEL:
NOEL for maternal toxicity >1000 mg/kg
NOEL for developmental toxicity > 1000 mg/kg/day
Actual dose received
by dose level by
sex if known:
As administered. Analysis of dosing mixtures
confirmed that mixtures were accurately prepared.
Remarks:
There was no evidence of developmental toxicity in
the F1 generation, as measured by the number of
live and dead pups, number of litters with live
offspring, mean litter size and male to female pup
ratio, pup survival and weights, and external
observations.
No mortality or clinical signs of toxicity were
observed. For the F0 males and females at the top
dose, gross and histological examination of the
ovaries , testes, epididymides, liver, kidneys ,
and peripheral [sciatic] nerve was performed;
kidneys were also examined at the mid and low dose
levels. The only gross finding was pitted kidneys
in a few mid and top dose males, and the only
histological finding was dose-related
accumulations of hyaline droplets in the
epithelial cells of the convoluted tubules of the
kidneys of males; no such effect was observed in
female rats. This condition was diagnosed as
hydrocarbon nephropathy, which is considered
specific to young adult male rats; there is no
indication that similar nephropathy will occur in
humans exposed to 1-hexene.
Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
Gingell, R., Daniel, E.M., Machado, M, and Bevan,
C. (2000) Reproduction/Developmental Toxicity
Screening Test in Rats with Orally-Administered 1Hexene. Drug and Chem. Toxicology 23(2)327-338.
Other:
This study was included in the dossier for 1hexene at SIAM 11. Additional information has been
added. This study also appears in Section
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5.9.A(2), Fertility and Section 5.5.D, Repeated
Dose Toxicity.
5.10
Other Relevant Information
A.
Aspiration
Test Substance
Identity:
C6-C18 even numbered alpha olefins
Method
166
Type:
Species:
Strain:
Sex:
Route of
Administration:
Dose:
General toxicity – aspiration
Rat
Wistar
Male
aspiration
0.2 mL
Results:
See Remarks
Remarks:
C6-C18 alkenes (even carbon numbers, alpha olefins),
source and purity unspecified, were assessed for
aspiration hazard in an animal study using Wistar rats.
Four or five males were used per test article. Twotenths mL of the test material was placed in the mouths
of rats that had been anesthetized to the point of apnea
in a covered wide mouth gallon jar containing about 1
inch of wood shavings moistened with approximately 1
ounce of anhydrous diethyl ether.
As the animals began
to breathe again, the nostrils were held until the test
material had been aspirated or the animal regained
consciousness. All alkenes tested except 1- hexene were
aspirated into the lungs. 1-Hexene was difficult to
dose because of its volatility. Two animals survived
because the hydrocarbon “boiled” out of the mouth before
it was aspirated. All animals exposed to C8 to C14 died
within 24 hours. With C16 and C18, there was only one
death (C18). Lung weights were increased in alkenestreated animals compared with controls. The affected
animals showed chemical pneumonitis. The report
concluded that there is a significant aspiration hazard
with C6 to C14 alkenes.
Reference:
Gerarde, H.W. (1963) Toxicological Studies on
Hydrocarbons. Archives of Environmental Health 6:329341.
Other:
This study was included in the dossier for 1-hexene at
SIAM 11. Additional information has been added.
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Neurotoxicity
(1)
Test Substance
Identity:
Remarks:
CAS No. 68526-52-3, Alkenes C6 , internal branched
Composition: C5 n-olefins = 0.5%, C5 iso-olefins =
1.3%, C6 n-olefins = 10.4%, C6 iso-olefins =
55.6%, C5 n-paraffins = 3.3%, C5 iso-paraffins =
9.3%, C6 iso-paraffins = 17.8%, C7 iso-olefins =
1.0%
Method
Method/guideline: OECD 422
Test type:
Combined repeated dose toxicity study with
reproduction/developmental toxicity screening test
GLP:
Yes
Year:
2002
Species:
Rat
Strain:
Sprague-Dawley Crl:CD®(SD)IGS BR
Route of
Administration:
Oral gavage
Duration of test:
Up to 38 days (general systemic toxicity and
neurotoxicity), see Remarks
Concentration levels:
0, 100, 500, or 1000 mg/kg b.w./day
Sex:
Males and females
Exposure period:
Minimum of 28 days and up to 38 days; see
remarks
Frequency of
treatment:
Once daily
Control group
and treatment:
Concurrent vehicle control (corn oil)
Statistical methods:
Data for the toxicity study, including body
weights, body weight gain, food consumption,
were analyzed by One-Way Analysis of
Variance (ANOVA). If significance was
detected (p<0.05), pairwise group
comparisons were performed using the TukeyKramer test. Descriptive (categorical) data
and quanta data were analyzed by Fisher’s
Exact Test. When significance was observed,
group by group comparisons were performed
using Fisher’s Exact Test. All analyses were
two-tailed with a minimum significance level
of 5% (p<0.05).
Test Conditions:
This study was conducted to: (1) provide screening
information on the repeated-dose systemic toxicity
of the test substance, with emphasis on potential
neurological effects, and (2) serve as a
screening study for potential reproductive and
developmental effects in male and female rats.
GENERAL TOXICITY AND NEUROTOXICITY PHASE: See
Section 5.5.A for complete test conditions for the
general toxicity and neurotoxicity phase. For the
neurotoxicity evaluation, an abbreviated
functional observation battery (FOB), including
home cage, removal from home cage and open field
evaluation, was performed prior to study
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initiation and weekly thereafter. A full FOB,
including home cage, removal from home cage, open
field evaluation, manipulative tests and motor
activity measurements, was performed following 28
days of treatment., An open field chamber (San
Diego Instruments, San Diego, CA) was used for the
motor activity assessment. For each animal, the
test consisted of a one-hour observation period in
the chamber, under red lighting, with white noise
from a SPER Scientific Sound Meter, Model 840029
(73-74 dB).
Results
NOAEL (NOEL):
NOEL (neurotoxicity) = 1000 mg/kg/day
assigned)
(reviewer
Actual dose received
by dose level by
sex if known:
As administered. Analysis of dosing mixtures
confirmed that mixtures were accurately prepared.
(2)
Remarks:
No statistically significant or toxicologically
meaningful differences were noted in the
functional observation battery evaluations. See
Section 5.5A for general systemic toxicity
results, and Sections 5.9.A (1) and 5.9.B(1) for
reproductive toxicity results.
Reliability:
(1) Reliable without restrictions.
Flag:
Key study for SIDS endpoint.
References:
Thorsrud, B.A. (2003) A combined repeated dose
toxicity study and reproduction/developmental
screening study in Sprague Dawley rats with (C6)
alkenes, Study No. 3604.2, Springborn
Laboratories, Inc., Ohio Research Center,
Spencerville, Ohio; conducted for American
Chemistry Council (Higher Olefins Panel)
(unpublished report).
Test Substance
Identity (purity):
CAS No. 592-41-6, 1-Hexene
NEODENE 6 alpha olefin)
(90 – 100%,
Method
Method/guideline:
Test type:
GLP:
Year:
Species:
Strain:
Route of Admin.:
Duration of test:
Doses:
Sex:
Exposure period:
168
OECD 413
90-day subchronic inhalation toxicity study
Yes
1984
Rat
F344
Inhalation – vapor
90 days
0, 300, 1000, 3000 ppm (0, 1033, 3442, 10,326
mg/m3 )
Males and females
6 hr/day
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Freq. of treatment:
Control group:
Post exposure
observation period:
Statistical methods:
Test Conditions:
5 days/week, 13 weeks
Air exposed
Not applicable
The Rotorod data for neuromuscular
coordination were adjusted by summing the
time for the best 3 of 4 trials for each
rat.
See Section 5.5.B
Results
NOAEL (NOEL):
NOAEL = 3000 ppm (neurotoxicity)
Actual dose received
by dose level by sex
(if known):
(3)
0, 300, 1000, 3000 ppm
Remarks:
Exposure to 1-hexene did not affect neuromuscular
coordination in females as determined using the
Rotorod.
Reliability:
(1) Reliable without restrictions
References:
Gingell, R., Bennick, J.E., and Malley, L.A.
(1999) Subchronic inhalation study of 1-hexene in
Fischer 344 rats. Drug Chem Toxicol. 22(3):507-28.
Other:
This study was included in the dossier for 1hexene at SIAM 11. Additional information has been
added.
Test Substance
Identity (purity):
CAS No. 592-41-6, 1-Hexene
NEODENE 6 alpha olefin)
(90 – 100%,
Method
Method/guideline: OECD 407
Test type:
28-day oral repeated dose study
GLP:
Yes
Year:
1994
Species:
Rat
Strain:
Wistar
Route of Admin.: Oral gavage
Duration of test: 28 days
Doses:
0, 10, 101, 1010, 3365 mg/kg/day
Sex:
Males and females
Exposure period: 28 days
Freq. of treatment:
daily for 28 days
Control group:
Dosed with water
Post exposure
observation period:
none
Statistical methods:
No data
Test Conditions:
See Section 5.5.C
Results
UNEP PUBLICATIONS
169
OECD SIDS
5. TOXICITY
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
NOAEL (NOEL):
NOEL = 3365 mg/kg/day (neurotoxicity)
Actual dose received
by dose level by sex
(if known):
5.11
170
No data
Remarks:
Neuromuscular coordination [by rotorod] were
unaffected.
Reliability:
(1) Reliable without restrictions
References:
Dotti, A., Duback-Powell, J.R., Biderman, K., and
Weber, K. (1994) 4-week oral toxicity (gavage)
study with 1-hexene in the rat. RCC Project
332695. Cited in HEDSET.
Other:
This study was included in the dossier for 1hexene at SIAM 11. Additional information has been
added.
Experience with Human Exposure
Test Substance:
CAS No. 592-41-6, 1-Hexene
Remark:
In a review, Cavender (1998) noted that 1-hexene,
when inhaled, may produce narcosis in humans at a
concentration of 0.1 percent with accompanying CNS
effects, mucous membrane irritation, vertigo,
vomiting and cyanosis.
Reference:
Cavender, F (1998). Aliphatic Hydrocarbons. In:
Patty’s Industrial Hygiene and Toxicology. CD-ROM.
Vol. 2B, Chapter 19. Edited by Clayton GD, Clayton
FE, Cralley LJ, Cralley LV, Harris RL and Bus JS.
John Wiley & Sons, Inc., 1249.
Other:
This study was included in the dossier for 1hexene at SIAM 11. Additional information has been
added.
UNEP PUBLICATIONS
OECD SIDS
6. REFERENCES
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Adema, D.M.M. and Bakker, G.H. (1985) Aquatic toxicity of compounds that may be
carried by ships [MARPOL 1973; Annex II]. TNO report R 85/217, The Hague
(unpublished report).
American Chemistry Council’s Higher Olefins Panel (2003) Personal communication.
Baehr, A.L. (1987) Selective transport of hydrocarbons in the unsaturated zone
due to aqueous and vapor phase partitioning . Water Resources Research 23, 192638; EPIWIN. 2000. Estimation Program Interface for Windows, version 3.10.
Syracuse Research Corporation, Syracuse, NY. USA.
Bio/dynamics, Inc. (1979) An Acute Inhalation Toxicity Study of MRD-ECH-78-32 in
the Mouse, Rat, and Guinea Pig. Conducted for Exxon Research and Engineering
Company (unpublished report).
Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J. Beaumann and N. Tirado
(1994) Group contribution method for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.
Cavender, F (1998). Aliphatic Hydrocarbons. In: Patty’s Industrial Hygiene and
Toxicology. CD-ROM. Vol. 2B, Chapter 19. Edited by Clayton GD, Clayton FE,
Cralley LJ, Cralley LV, Harris RL and Bus JS. John Wiley & Sons, Inc., 1249.
Chemicals
Inspection
and
Testing
Institute,
Japan
(1992)
1-Hexene:
Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL
Japan. Japan Chemical Industry Ecology-Toxicology and Information Center.
Dotti, A., Duback-Powell, J.R., Biderman, K., and Weber, K. (1994) 4-week oral
toxicity (gavage) study with 1-hexene in the rat. RCC Project 332695. Cited in
HEDSET.
EAB-IRER (1995); USEPA EPIWIN output run by USEPA/OPPT/RAD/ECAB,
8/99.
Eide, I., R. Hagerman, K. Zahlsen, E. Tareke, M. Tornquist, R. Kumar, P. Vodicka
and K. Hemminki
(1995) Uptake, distribution, and formation of hemoglobin and
DNA adducts after inhalation of C2-C8 1-alkenes [olefins] in the rat.
Carcinogenesis. 16, 1603 - 1609.
EPIWIN (2000a). Estimation Program Interface for Windows, version 3.10. Syracuse
Research Corporation, Syracuse, NY. USA.
EPIWIN (2000b). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
Exxon Biomedical Sciences, Inc. (1991a). Alkenes, C6: Microbial Mutagenesis in
Salmonella: Mammalian Microsome Plate Incorporation Assay. Conducted by Exxon
Biomedical Sciences, Inc., East Millstone, NJ, USA (unpublished report).
Exxon Biomedical Sciences, Inc.
(1991b) Alkenes, C6: In vivo Mammalian Bone
Marrow Micronucleus Assay: Oral Gavage Method (unpublished report).
Exxon Biomedical Sciences, Inc. (1991c) Alkenes, C6: In vivo mammalian bone
marrow micronucleus assay: inhalation dosing method (unpublished report).
Exxon Biomedical Sciences, Inc. (1996) Alkenes, C6: Fish, Acute Toxicity Test.
Study #119058. Exxon Biomedical Sciences, Inc., East Millstone, NJ, USA
(unpublished report).
Exxon Biomedical Sciences, Inc. (1997)
Alkenes, C6: Ready Biodegradability:
OECD 301F Manometric Respirometry. Study #119094A. Exxon Biomedical Sciences,
Inc., East Millstone, NJ, USA (unpublished report).
UNEP PUBLICATIONS
171
OECD SIDS
6. REFERENCES
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Gerarde, H.W. (1963) Toxicological
Environmental Health, 6:329-341.
Studies
on
Hydrocarbons.
Archives
of
Gingell, R., Bennick, J.E., and Malley, L.A. (1999) Subchronic inhalation study
of 1-hexene in Fischer 344 rats. Drug Chem Toxicol. 22(3):507-28.
Gingell,
R.,
Daniel,
E.M.,
Machado,
M,
and
Bevan,
C.
Reproduction/developmental toxicity screening test in rats with
administered 1-Hexene. Drug and Chem. Toxicology 23(2)327-338.
(2000)
orally-
Goode,
J.W. and Brecher, S. (1983) GULFTENE 6: BALB/3T3 transformation test,
Project 2072. Sponsored by Gulf Life Sciences Institute, Pittsburg, PA
(unpublished report).
Gould, E.S. (1959) Mechanism and Structure in Organic Chemistry, Holt, Reinhart
and Winston, New York, NY, USA.
Gulf Life Sciences (1983) Micronucleus Test in Mouse Bone Marrow: GULFTENE 6
Administered by Inhalation Using 2 Daily 2-Hour Treatments, project #82-119
(unpublished report).
Gulf Life Sciences (1984)
Hepatocyte Primary
GULFTENE 6, project #2071 (unpublished report).
Culture/DNA
Repair
Test
of
Harris J C (1982a). Rate of Aqueous Photolysis. Chapter 8 in: W. J. Lyman, W. F.
Reehl, and D. H. Rosenblatt, eds., Handbook of Chemical Property Estimation
Methods, McGraw-Hill Book Company, New York, USA.
Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in: W.J. Lyman, W.F. Reehl,
and D.H. Rosenblatt, eds., Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.
Hazleton Laboratories America, Inc. (1982) Neohexene: Acute Inhalation Toxicity
Test in Rats. Conducted for Phillips Petroleum Company ( unpublished report).
Hazleton Laboratories America, Inc. (1982). Neohexene: Acute Oral Toxicity Study
in Rats. Conducted for Phillips Petroleum Company, (unpublished report).
Hazleton Laboratories America, Inc. (1982). Neohexene: In vitro sister chromatid
exchange assay in Chinese hamster ovary cells. Conducted for Phillips Petroleum
Company (unpublished report).
Hazleton Laboratories America, Inc. (1982). Neohexene: Salmonella typhimurium
mammalian microsome plate incorporation assay. Conducted for Phillips Petroleum
Company (unpublished report).
Hoberg, J.R. (2003) C6 Hexene –
Acute Toxicity Test with the Water Fleas,
Daphnia magna, Under Static and Sealed Vessel Conditions. Study No. 13761.6114,
Springborn Smithers Laboratories, Wareham, Massachusetts, conducted for American
Chemistry Council (Higher Olefins Panel) (unpublished report).
Hoberg, J.R. (2003) C6 Hexene – Toxicity to the freshwater green alga,
Pseudokirchneriella subcapitata, Study No. 13761.6113, Springborn Smithers
Laboratories, Wareham, Massachusetts, conducted for American Chemistry Council
(Higher Olefins Panel) (unpublished report).
Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M. Meylan, A.E. Hueber, J.A.
Beauman and M.E. Larosche (1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data. Environ. Toxicol. Chem.
11:593-603.
172
UNEP PUBLICATIONS
OECD SIDS
6. REFERENCES
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Huntingdon
Life
Sciences
Ltd.
(1996)
SHOP
Internal
Olefin:
Delayed
hypersensitivity study in theGuinea Pig (Magnusson Kligman Method), Performed
for Shell Chemical Co. (unpublished report).
Huntingdon Research Center (1990)
1-Hexene in Vitro Mammalian
Mutation Assay (TK+/-). Sponsored by Ethyl (unpublished report).
Huntingdon Research Center (1990)
1-Hexene:
Sponsored by Ethyl (unpublished report).
Bacterial
Cell
Mutation
Gene
Assay.
Huntingdon Research Center (1990) 1-Hexene: Metaphase Chromosome Analysis of
Human Lymphocytes Cultured in Vitro. Sponsored by Ethyl (unpublished report).
Huntington Life Sciences Ltd, (1996) SHOP C68 Internal Olefins: Skin Irritation
in the Rabbit; Performed for Shell Chemical Co. (unpublished report).
Huntington Life Sciences Ltd, (1996) SHOP C68 Internal Olefins: Eye Irritation
in the Rabbit; Performed for Shell Chemical Co. (unpublished report).
Joback, K.G. 1982. A Unified Approach to Physical Property Estimation Using
Multivariate Statistical Techniques.
In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E. Poling, Eds.
Jordan, T.E. (1954) Vapor Pressure of Organic Compounds. New York, NY,
Interscience Publisher, Inc.; EPIWIN (2000a,b) Estimation Program Interface for
Windows, version 3.10. Syracuse Research Corporation, Syracuse, NY. USA.
Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry and Physics. 79th ed. Boca
Raton, FL: CRC Press Inc., p. 3-193.
Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds. (1990) Handbook of Chemical
Property Estimation. Chapter 14. Washington, D.C.: American Chemical Society.
MB Research Laboratories, Inc. (1978) Alkenes, C6-8, C7 Rich: Acute Dermal
Toxicity in Albino Rabbits (unpublished report).
Meylan, W. and P. Howard (1995) Atom/fragment contribution method for estimating
octanol-water partition coefficients. J. Pharm. Sci. 84:83-92.
Meylan, W., P. Howard and R. Boethling (1996) Improved method for estimating
water solubility from octanol/water partition coefficient. Environ. Toxicol.
Chem. 15:100-106.
Meylan, W., P.H. Howard and R.S. Boethling (1992) Molecular topology/fragment
contribution method for predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7.
Meylan, W.M. and Howard, P.H.
1993.
Computer estimation of the atmospheric
gas-phase reaction rate of organic compounds with hydroxyl radicals and ozone.
Chemosphere 26: 2293-99
Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved method for estimating
bioconcentration
/
bioaccumulation
factor
from
octanol/water
partition
coefficient. Environ. Toxicol. Chem. 18(4): 664-672
Neely and Blau (1985) Environmental Exposure from Chemicals, Volume 1, p. 31,
CRC Press.
UNEP PUBLICATIONS
173
OECD SIDS
6. REFERENCES
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Neely, W. B. 1985. Hydrolysis. In: W. B. Neely and G. E. Blau, eds.
Environmental Exposure from Chemicals. Vol I., pp. 157-173. CRC Press, Boca
Raton, FL, USA.
NLM (2003). TRI (Toxic Release Inventory). U.S. National Library of Medicine,
Specialized Information Services, National Institutes of Health, Department of
Health and Human Services. September 2003 (http://toxnet.nlm.nih.gov).
Rinehart, W.E. (1967) Toxicological Studies on Several
University of Pittsburgh,
submitted to Gulf Research and
(unpublished report).
Alpha Olefins.
Development Co.
Shell (1985) Toxicology of Shop Olefin:
The Skin
Irritancy of Shop Alpha
Olefin C6; C18; and Shop Olefins 103, SBGR 85.166 (unpublished report).
Shell Chemicals UK Ltd. Chester (cited in IUCLID)
Shell Chemicals UK Ltd. MSDS, Chester
Shell Development Company (1982) Acute Oral Toxicity of NEODENE 6 Alpha Olefin
in the Rat, WTP-120 (unpublished report).
Shell Development Company (1982)
Eye Irritation of NEODENE 6 Alpha Olefin in
the Rabbit, WTP-122 (unpublished report).
Shell Development Company (1982)
Guinea Pig Skin Sensitization of NEODENE 6
Alpha Olefin, WTP-123 (unpublished report).
Shell Development Company (1982)
Primary Skin Irritation of NEODENE 6 Alpha
Olefin in the Rabbit, WTP-121 (unpublished report).
Shell Development Company (1982) Acute Dermal Toxicity of NEODENE 6 Alpha Olefin
in the Rabbit, WTP-124 (unpublished report).
Shell Development Company (1983)
In Vitro Chromosome Aberration Assay in
Chinese Hamster Cells of NEODENE 6 Alpha Olefin,
WTP-126
(unpublished
report).
Shell Development Company (1984)
In vitro Destruction of Hepatic Cytochrome
P-450 and Heme by NEODENE 6 Alpha Olefin, WRC-814, (unpublished report).
Shell Research Limited (1985) Shop C6 Linear Alpha Olefins (1-Hexene); Acute
Toxicity (Salmo gairdneri, Daphnia magna and Selenastrum capricornutum) and
N-Octanol/Water Partition Coefficient, SBGR.85.026 (unpublished report).
Shell Research Limited (1985) Shop C6 Alpha Olefins:
An Assessment of Ready
Biodegradability, Document SBGR.85.111 (unpublished report).
Shell Research Limited (1991) 1-Hexene:
SBGR.91.252 (unpublished report).
Acute Toxicity to Oncorhynchus mykiss,
Stein, S. and R. Brown (1994) Estimation of normal boiling points from group
contributions (1994) J. Chem. Inf. Comput. Sci. 34: 581-587.
Thorsrud,
B.A.
(2003)
A
combined
repeated
dose
toxicity
study
and
reproduction/developmental screening study in Sprague Dawley rats with (C6)
alkenes, Study No. 3604.2, Springborn Laboratories, Inc., Ohio Research Center,
Spencerville, Ohio; conducted for American Chemistry Council (Higher Olefins
Panel) (unpublished report).
174
UNEP PUBLICATIONS
OECD SIDS
6. REFERENCES
HEXENE
ID: 25264-93-1
DATE: 28.04.2005
Trent University (2004). Level I Fugacity-based Environmental Equilibrium
Partitioning Model (Version 3.00) and Level III Fugacity-based Multimedia
Environmental Model (Version 2.80.1). Environmental Modeling Centre, Trent
University, Peterborough, Ontario. (Available at http://www.trentu.ca/cemc)
Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and H. Loonen (2000)
Predicting ready biodegradability in the MITI Test. Environ. Toxicol. Chem.
(accepted for publication)
Verschueren, K. (1983) Handbook of Environmental Data on Organic Chemicals, 2nd
ed., Van Nostrand Reinhold Company, New York, NY.
Warne, M. St. J. Connell, D.W., Hawker, D. W., and G. Schuurmann (1989)
Quantitative Structure-Activity Relationships for the Toxicity of Selected Shale
Oil Components to Mixed Marine Bacteria. Ecotoxicology and Environmental
Safety, 17: 133-148.
Zepp, R. G. and D. M. Cline (1977). Rates of Direct Photolysis in the Aqueous
Environment, Environ. Sci. Technol., 11:359-366.
UNEP PUBLICATIONS
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OECD SIDS
HEPTENE
SIDS DOSSIER
ON THE HPV CHEMICAL
HEPTENE
CAS No.: 25339-56-4
Contains Robust Summaries for the Following Substances:
CAS No. 25339-56-4, Heptene
CAS No. 592-76-7, 1-Heptene
CAS No. 68526-53-4; Alkenes, C6-8, C7-rich
CAS No. 68526-54-5; Alkenes, C7-9, C8-Rich
C6-C8 Internal Olefins
Sponsor Country: USA
Date of submission to OECD: April 28, 2005
176
UNEP PUBLICATIONS
OECD SIDS
1. GENERAL INFORMATION
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
1.01
Substance Information
A.
CAS Number:
25339-56-4
B.
Name (OECD):
Heptene
C.
Name (IUPAC):
Heptene
D.
CAS Descriptor:
Not applicable
E.
EINECS Number:
246-871-2
F.
Molecular Formula:
G.
Structural Formula:
Various linear or branched isomers with internal
double bonds with the basic structure of CH3-CH=CH(CH2)3-CH3
C7 H14
Sponsor Country:
United States of America
Lead Organisation:
Name of Lead Organisation:
Contact person:
Address:
• Street:
• Postal code:
• Town:
• Country:
• Tel:
United States of America Environmental
Protection Agency
Mr. Oscar Hernandez, Director
U.S. Environmental Protection Agency
Risk Assessment Division (7403 M)
1200 Pennsylvania Avenue, NW
20460
Washington, D.C. 20460
United States of America
(202) 564-7461
Name of Responder (Industry Consortium):
Name:
American Chemistry Council (Higher Olefins
Panel)
Mr. W. D. Anderson, Higher Olefins Panel
Manager
Contact:
Address:
• Street:
• Postal code:
• Town:
• Country:
• Tel:
• Fax:
1.02
1300 Wilson Boulevard
22209
Arlington, VA
United States of America
(703)741-5616
(703) 741-6091
Details on Chemical Category
This profile includes an evaluation of SIDS-level testing data, using a category
approach, with six individual internal olefins (C6 – C10 and C12), a C10 – 13
internal olefins blend and two linear alpha olefins (1-hexadecene and 1octadecene), all of which are monoolefins. The internal olefins are
predominantly linear, but may contain small amounts of branched materials. For
the purposes of the ICCA HPV Program, the category was defined as “Higher
UNEP PUBLICATIONS
177
OECD SIDS
1. GENERAL INFORMATION
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Olefins.” The category designation was based on the belief that, within the C6
to C18 boundaries identified, internalizing the location of the carbon-carbon
double bond, increasing the length of the carbon chain, and/or changing the
carbon skeleton’s structure from linear to branched does not change the toxicity
profile, or changes the profile in a consistent pattern from lower to higher
carbon numbers. This expectation is supported by a large amount of existing data
for alpha and internal olefins with carbon numbers ranging from C6 to C24. The
members of the category are:
Hexene
CAS
25264-93-1
Heptene
CAS
25339-56-4
Octene
CAS
25377-83-7
Nonene
CAS
27215-95-8
Decene
CAS
25339-53-1
Dodecene
CAS
25378-22-7
Alkenes, C10-C13
CAS
85535-87-1
1-Hexadecene
CAS
629-73-2
1-Octadecene
CAS
112-88-9
1.1
General Substance Information
A.
Type of Substance
Element [ ];
Inorganic [ ]; Natural substance [ ]; Organic [X ];
Organometallic [ ];
Petroleum product [ ]
B.
Physical State (at 20°C and 1.013 hPa)
Gaseous [ ]; Liquid [X ]; Solid [ ]
C.
1.2
Purity:
Remark:
This substance is manufactured and marketed as a component of
a C6-C8 Olefins distillation cut.
Synonyms: C68 Olefins,
SHOP C68-Internal Olefins
C6-C8 Internal Olefins,
I C6-C8. The C6-C8 internal
olefin blend has been reported as comprising 1.9% C5, 43.3% C6,
21.7% C7, 31.7% C8, 1.4% C9.
Remark:
This substance is a component of a manufacturing byproduct
mixture
Impurities
No data
1.3
Additives
None
178
UNEP PUBLICATIONS
OECD SIDS
1. GENERAL INFORMATION
1.4
Synonyms
Some synonyms are:
1.5
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Heptene, Isomer(s)
Heptylene
Heptenes
Quantity
Remarks:
U.S. production volume for heptene in 2002 was 50-100 million
pounds. This information was provided by the members of the American
Chemistry Council’s Higher Olefins Panel.
Reference:
American Chemistry Council’s Higher Olefins Panel (2002)
1.6
Use Pattern
A.
General Use Pattern
Type of Use:
Category:
(a) Main
Industrial
Use in closed systems
Chemical industry – chemicals used in
synthesis
Intermediate
Use
Remarks:
(b)
Main
Industrial
synthesis
Use
Remarks:
(c)
Main
Industrial
Use
Reference:
B.
Intermediate in the manufacture of low
molecular weight fatty acids, mercaptans,
plasticizer alcohols, surfactants
Non-dispersive use
Chemical industry – chemicals used in
Intermediate
Intermediate in the manufacture of low
molecular weight fatty acids, mercaptans,
plasticizer alcohols, surfactants
Use in closed systems
Polymers industry
Intermediate
American Chemistry Council’s Higher Olefins Panel (2002)
Uses In Consumer Products
Not applicable
1.7
Sources of Exposure
Source:
Remarks:
This product is produced commercially in closed systems and is used
primarily as an intermediate in the production of other chemicals
(including polymers). No non-intermediate applications have been
identified. Any occupational exposures that do occur are most likely
by the inhalation and dermal routes. It is a common practice to use
UNEP PUBLICATIONS
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OECD SIDS
1. GENERAL INFORMATION
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
personal protective equipment. In the case of dermal exposures,
protective gloves would be worn due to the mildly irritating
properties of this class of chemicals (ACC Higher Olefins Panel).
Results from modelled data suggest that on-site waste treatment
processes are expected to remove this substance from aqueous waste
streams to the extent that it will not be readily detectable in
effluent discharge (EPIWIN, 2000). This substance is not on the US
Toxic Release Inventory (TRI) list (NLM, 2003). This olefin will not
persist in the environment because it can be rapidly degraded
through biotic and abiotic processes.
Reference:
American Chemistry Council’s Higher Olefins Panel (2002)
1.8
Additional Information
A.
Classification and Labelling
Classification
Type:
Category of danger:
R-phrases:
as in Directive 67/548/EEC
Highly Flammable, Harmful
(11) Highly flammable
(65) Harmful: may cause lung damage if swallowed
Labelling
Type:
Specific limits:
Symbols:
Nota:
R-phrases:
S-phrases:
as in Directive 67/548/EEC
no
F Xn
(11) Highly flammable
(65) Harmful: may cause lung damage if swallowed
(9) Keep container in a well ventilated place
(16) Keep away from sources of ignition – No smoking
(33) Take precautionary measures against static
discharges
(S62) If swallowed, do not induce vomiting: seek medical
advice immediately and show this container or label
B.
Occupational Exposure Limits
Exposure Limit Value
Type:
Value:
None established
Short Term Exposure Limit Value
Value:
Length of
Exposure period:
Frequency:
C.
180
None established
OPTIONS FOR DISPOSAL
UNEP PUBLICATIONS
OECD SIDS
1. GENERAL INFORMATION
Remarks:
D.
Incineration, diversion to other hydrocarbon uses
Last Literature Search
Type of search:
Date of search:
Remark:
E.
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Internal and external
October 2003
Medline
IUCLID
TSCATS
ChemIDplus
AQUIRE - ECOTOX
OTHER REMARKS
UNEP PUBLICATIONS
181
OECD SIDS
2. PHYSICO-CHEMICAL PROPERTIES
2.1
Melting
A.
Test Substance
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Point
Identity:
CAS No. 25339-56-4, Heptene
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
Calculated value using MPBPWIN version 1.41, a
subroutine of EPIWIN version 3.11
Not applicable
Not applicable
Melting Point is calculated by the MPBPWIN subroutine,
which is based on the average results of the methods of
K. Joback, and Gold and Ogle, and chemical structure.
Joback's Method is described in Joback, (1982). The Gold
and Ogle Method simply uses the formula Tm = 0.5839Tb,
where Tm is the melting point in Kelvin and Tb is the
boiling point in Kelvin. EPIWIN program used the
structure for 1-heptene.
Results
Melting point
value in °C:
-82.42°C
Reliability:
(2) Reliable with restrictions. The result is
calculated data based on chemical structure as modeled
by EPIWIN
Flag:
Key study for SIDS endpoint
References:
Joback, K.G. 1982. A Unified Approach to Physical
Property Estimation Using Multivariate Statistical
Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E.
Poling, Eds.
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
B.
TEST SUBSTANCE
Identity:
C6-C8 Internal Olefins
Method
Method/guideline followed:
GLP:
Year:
ASTM D2386
No data
No data
Test Conditions:
No data
Results
182
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL PROPERTIES
Melting point value in °C:
C.
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
-50°C
Reliability:
(4) Not assignable. These data were not reviewed
for quality.
References:
Shell Chemicals UK Ltd. Chester (cited in IUCLID)
Test Substance
Identity:
CAS No. 592-76-7, 1-Heptene
Method
Method/
guideline followed:
GLP:
Year:
No data
No data
No data
Test Conditions:
No data
Results
Melting point
value in °C:
-119.7°C
Reliability:
(2) Reliable with restrictions. The result is an
experimental value in the EPIWIN database and in a
secondary source (Lide, 1998-1999), and data were not
reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry
and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., p.
3-181.
2.2
Boiling Point
A.
Test Substance
Identity:
CAS No. 25339-56-4, Heptene
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
Calculated value using MPBPWIN version 1.41, a
subroutine of EPIWIN version 3.11
Not applicable
Not applicable
Boiling Point is calculated by the MPBPWIN subroutine,
which is based on the method of Stein and Brown (1994).
EPIWIN program used the structure for 1-heptene.
UNEP PUBLICATIONS
183
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2. PHYSICO-CHEMICAL PROPERTIES
Results
Boiling point
value in °C:
Pressure:
Pressure unit:
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
94.35°C
1013
hPa
Reliability:
(2) Reliable with restrictions. The result is
calculated data based on chemical structure as modeled
by EPIWIN
Flag:
Key study for SIDS endpoint
References:
Stein, S. and R. Brown (1994) Estimation of normal
boiling points from group contributions (1994) J. Chem.
Inf. Comput. Sci. 34: 581-587.
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
B.
Test Substance
Identity:
C6-C8 Internal Olefins
Method
Method:
GLP:
Year:
ASTM D68
No data
No data
Test Conditions:
No data
Results
C.
Boiling point value:
Pressure:
Remarks:
74-120°C
No data
Upper value is for 90% distilled.
Reliability:
(4) Not assignable. These data were not reviewed
for quality.
References:
Shell Chemicals UK Ltd. Chester
TEST SUBSTANCE
Identity:
CAS No. 592-76-7, 1-Heptene
Method
184
Method/guideline followed:
GLP:
Year:
No data
No data
No data
Test Conditions:
No data
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL PROPERTIES
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Results
Boiling point value:
pressure:
Pressure unit:
93.6°C
1013
hPa
Reliability:
(2) Reliable with restrictions. Result is an
experimental value in the EPIWIN database and in
another secondary source (Lide, 1998-1999) .These
data were not reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
EPIWIN (2000). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
Lide, D.R. (ed.) (1998-1999) CRC Handbook of
Chemistry and Physics. 79th ed. Boca Raton, FL: CRC
Press Inc., p. 3-181.
2.3
Density
A.
Test Substance
Identity:
C6-C8 Internal Olefins
Method
Method:
GLP:
ISO 3675
No data
Test Conditions:
No data
Results
Type:
Value:
Temperature (°C):
density
ca. 700 kg/m3
20°C
Reliability:
(2) Reliable with restrictions. These data were from a
reliable source but were not reviewed for quality.
Reference:
Shell Chemicals UK Ltd. Chester
2.4
Vapour Pressure
A.
Test Substance
Identity:
CAS No. 592-76-7, 1-Heptene
Method
Method/
guideline followed:
GLP:
Year:
Not reported
Not applicable
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185
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2. PHYSICO-CHEMICAL PROPERTIES
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Test Conditions:
Results
Vapor Pressure
Value:
Temperature:
Remarks:
79.05 hPa
25°C
Reported as 59.3 mm Hg (25°C)
Reliability:
(2) Reliable with restrictions. The result is measured
data as cited in the EPIWIN database. These data were
not reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
Daubert, T.E. and R.P. Danner (1989) Physical and
Thermodynamic Properties of Pure Chemicals: Data
Compilation; Design Institute for Physical Property
Data, American Institute of Chemical Engineers.
Hemisphere Pub. Corp., New York, NY
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
B.
Test Substance
Identity:
CAS No. 25339-56-4, Heptene
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
Calculated value using the computer program
EPIWIN, MPBPWIN v 1.41
Not applicable
Not applicable
Vapor Pressure is calculated by the MPBPWIN subroutine,
which is based on the average result of the methods of
Antoine and Grain. Both methods use boiling point for
the calculation. The Antoine Method is described by
Lyman et al., 1990. A modified Grain Method is
described by Neely and Blau, 1985. Used experimental
value for BP of 93.6 °C from EPIWIN database
Results
Vapor Pressure
value:
Temperature (°C ):
Remarks:
186
74.66 hPa
25°C
Reported as 56 mm Hg
Reliability:
(2) Reliable with restrictions. The result is
calculated data as modeled by EPIWIN and measured data
as cited in the EPIWIN database. These data were not
reviewed for quality.
Flag:
Key study for SIDS endpoint
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL PROPERTIES
References:
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds.
(1990) Handbook of Chemical Property Estimation. Chapter
14. Washington, D.C.: American Chemical Society.
Neely and Blau (1985) Environmental Exposure from
Chemicals, Volume 1, p. 31, CRC Press.
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
2.5
A.
Partition Coefficient (log10Kow)
TEST SUBSTANCE
Identity:
C6-C8 Internal Olefins
Method
Method:
GLP:
Year:
Test Conditions:
No data
No data
No data
No data
Results
B.
Log Kow:
3.4 – 4.6
Reliability:
(4) Not assignable. Limited information was available
and these data were not reviewed for quality.
References:
Shell Chemicals UK Ltd. Chester
Test Substance
Identity:
CAS No. 25339-56-4, Heptene
Method
Method:
Calculated value using the computer program
EPIWIN,
KOWWIN v 1.67
Not applicable
Not applicable
GLP:
Year:
Test Conditions:
Octanol / Water Partition Coefficient is calculated by
the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995). Experimental Log Kow value of 3.99 for 1-heptene
from EPIWIN database used for calculation. Program used
structure for 1-heptene.
Results
Log Kow:
3.64
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187
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2. PHYSICO-CHEMICAL PROPERTIES
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Temperature (°C ): Not applicable
C.
Reliability:
(2) Reliable with restrictions. The result was
calculated based on chemical structure as modeled by
EPIWIN.
Flag:
Key study for SIDS endpoint
Reference:
Meylan, W. and P. Howard (1995) Atom/fragment
contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
Test Substance
Identity:
CAS No. 592-76-7, 1-Heptene
Method
Method:
GLP:
Year:
No data
No data
No data
Test Conditions:
No data
Results
Log Kow:
3.99
Temperature (°C ): No data
Reliability:
(2) Reliable with restrictions. The result is an
experimental value in the EPIWIN database and the data
were not reviewed for quality.
Flag:
Key study for SIDS endpoint
Reference:
Hansch. C., A. Leo and D. Hoekman. 1995. Exploring
QSAR. Hydrophobic, Electronic, and Steric Constants.
ACS Professional Reference Book. Washington, DC:
American Chemical Society.
Meylan, W. and P. Howard (1995) Atom/fragment
contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
2.6.1
A.
Water Solubility (including *Dissociation Constant).
Test Substance
Identity:
188
CAS No. 25339-56-4, Heptene
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL PROPERTIES
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Method
Method/
guideline followed:
Calculated value using the computer program
EPIWIN, WSKOW v 1.41
GLP:
Not applicable
Year:
Not applicable
Test Conditions:
Water Solubility is calculated by the WSKOW subroutine,
which is based on a Kow correlation method described by
Meylan et al., 1996. The calculation used an
experimental Log Kow of 3.99, from the EPIWIN database.
Results
Value(mg/L) at
temperature ( °C):
13.45 mg/L (25°C)
Reliability:
(2) Reliable with restrictions. The result was
calculated by EPIWIN using experimental data from the
EPIWIN database. These data were not reviewed for
quality.
Flag:
Key study for SIDS endpoint
References:
Meylan, W., P. Howard and R. Boethling (1996) Improved
method for estimating water solubility from
octanol/water partition coefficient. Environ. Toxicol.
Chem. 15:100-106.
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
B.
Test Substance
Identity:
CAS No. 592-76-7, 1-Heptene
Method
Method/
guideline followed:
No data
GLP:
No data
Year:
Test Conditions:
No data
Results
Value (mg/L)
at temperature (°C):
18.2 mg/L (25°C)
Reliability:
(2) Reliable with restrictions. The result as cited in
the EPIWIN database. These data were not reviewed for
quality.
Flag:
Key study for SIDS endpoint
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189
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2. PHYSICO-CHEMICAL PROPERTIES
References:
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Yalkowsky, S.H. and R.M. Dannenfelser (1992) AQUASOL
dATAbASE of Aqueous Solubility. Fifth ed. Tucson, AZ,
University of Arizona, College of Pharmacy
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
C.
Test Substance
Identity:
CAS No. 25339-56-4, Heptene
Method
Method/
guideline followed:
Calculated value using the computer program
EPIWIN, WATERNT v 1.01
GLP:
Not applicable
Year:
Not applicable
Test Conditions:
The calculation was based on chemical structure as
modeled by EPIWIN.
Results
Value(mg/L) at
temperature ( °C):
11.913 mg/L (25°C)
Reliability:
(2) Reliable with restrictions. The result was
calculated based on chemical structure as modeled by
EPIWIN.
References:
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
2.6.2 Surface tension
No data available
2.7
Flash Point (Liquids)
Test Substance
Identity:
C6-C8 Internal Olefins
Method
Method:
GLP:
ISO 2719
Test Conditions:
No data
Results
Value (°C):
Type of test:
190
-26 °C
Closed cup
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL PROPERTIES
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Reliability:
(4)
Reference:
Shell Chemicals UK Ltd. Chester (cited in IUCLID)
2.8
Not assignable. These data were not reviewed for quality.
Auto Flammability (Solids/Gases)
No data available
2.9
Flammability
Test Substance
Identity:
C6-C8 Internal Olefins
Method
Method:
GLP:
No data
No data
Test Conditions:
No data
Result:
Highly flammable
Lower flammability limit:
Upper flammability limit:
0.8% in air
6.8% in air
Reliability:
Reference:
2.10
(2) Reliable with restrictions. Data were from a reliable
source but were not evaluated for quality.
Shell Chemical Company MSDS
Explosive Properties
No data available
2.11
Oxidising Properties
No data available
2.12
Oxidation-Reduction Potential
No data available
2.13
Additional Information
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191
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3. ENVIRONMENTAL FATE AND PATHWAYS
3.1
Stability
A.
Photodegradation
(1)
Test Substance
Identity:
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
CAS No. 25339-56-4, Heptene
Method
Method/
guideline followed:
Other: Technical discussion
Type:
GLP:
Year:
water
Not applicable
Not applicable
Test Conditions:
Not applicable
Results
Direct photolysis:
In the environment, direct photolysis will
not significantly contribute to the degradation of
constituent chemicals in the Higher Olefins
Category.
Remarks:
The direct photolysis of an organic molecule
occurs when it absorbs sufficient light energy to
result in a structural transformation (Harris,
1982a). The reaction process is initiated when
light energy in a specific wavelength range
elevates a molecule to an electronically excited
state. However, the excited state is competitive
with various deactivation processes that can
result in the return of the molecule to a non
excited state.
The absorption of light in the ultra violet (UV)visible range, 110-750 nm, can result in the
electronic excitation of an organic molecule.
Light in this range contains energy of the same
order of magnitude as covalent bond dissociation
energies (Harris, 1982a). Higher wavelengths (e.g.
infrared) result only in vibrational and
rotational transitions, which do not tend to
produce structural changes to a molecule.
The stratospheric ozone layer prevents UV light of
less than 290 nm from reaching the earth's
surface. Therefore, only light at wavelengths
between 290 and 750 nm can result in photochemical
transformations in the environment (Harris,
1982a). Although the absorption of UV light in the
290-750 nm range is necessary, it is not always
sufficient for a chemical to undergo photochemical
degradation. Energy may be re-emitted from an
excited molecule by mechanisms other than chemical
transformation, resulting in no change to the
parent molecule.
192
UNEP PUBLICATIONS
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
A conservative approach to estimating a
photochemical degradation rate is to assume that
degradation will occur in proportion to the amount
of light wavelengths >290 nm absorbed by the
molecule (Zepp and Cline, 1977).
Olefins with one double bond, such as the
chemicals in the Higher Olefins category, do not
absorb appreciable light energy above 290 nm. The
absorption of UV light to cause cis-trans
isomerization about the double bond of an olefin
occurs only if it is in conjugation with an
aromatic ring (Harris, 1982a).
Products in the Higher Olefins Category do not
contain component molecules that will undergo
direct photolysis. Therefore, this fate process
will not contribute to a measurable degradative
removal of chemical components in this category
from the environment.
Reliability:
Not applicable
References:
Harris J C (1982a). Rate of Aqueous Photolysis.
Chapter 8 in: W. J. Lyman, W. F. Reehl, and D. H.
Rosenblatt, eds., Handbook of Chemical Property
Estimation Methods, McGraw-Hill Book Company, New
York, USA.
Zepp, R. G. and D. M. Cline (1977). Rates of
Direct Photolysis in the Aqueous Environment,
Environ. Sci. Technol., 11:359-366.
(2)
Test Substance
Identity:
CAS No. 25339-56-4, Heptene
Method
Method/
guideline followed:
Calculated values using AOPWIN version 1.91,
a subroutine of the computer program EIPWIN
version 3.11. Program used structure for 1heptene.
Type:
air
GLP:
Not applicable
Year:
Not applicable
Results
Indirect photolysis
Sensitiser (type):
Rate Constant:
Degradation % after:
OH
31.5910 E-12 cm3/molecule-sec
50% after 4.063 hrs (using 12-hr day and
avg. OH conc. of 1.5 E6 OH/cm3)
Sensitiser (type):
Rate Constant:
Ozone
1.2 E-17 cm3/molecule-sec
UNEP PUBLICATIONS
193
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3. ENVIRONMENTAL FATE AND PATHWAYS
Degradation % after:
(3)
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
50% after 22.920 hrs (using avg. ozone conc.
of 7 E11 mol/cm3)
Reliability:
(2) Reliable with restrictions. The value was
calculated data based on chemical structure as
modeled by EPIWIN. This robust summary has a
rating of 2 because the data are calculated and
not measured.
Flag:
Critical study for SIDS endpoint
References:
EPIWIN (2000). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
Test Substance
Identity:
CAS No. 592-76-7, 1-Heptene
Method
Method/
guideline followed:
Measured value cited in the experimental
database of the computer program EIPWIN version
3.11
Type:
air
GLP:
No data
Year:
No data
Results
Indirect photolysis
Sensitiser (type):
Rate Constant:
Sensitiser (type):
Rate Constant:
B.
OH
40.5 E-12 cm3/molecule-sec
Ozone
1.73 E-17 cm3/molecule-sec
Reliability:
(2) Reliable with restrictions. The value is from
the experimental database in EPIWIN and data were
not evaluated for quality.
References:
Atkinson, R (1989); EPIWIN (2000). Estimation
Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection
Agency, Office of Pollution Prevention and
Toxics, U.S.A.
Stability in Water
Test Substance
Identity:
CAS No. 25339-56-4, Heptene
Method
Method/
guideline followed:
194
Other – Technical Discussion
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3. ENVIRONMENTAL FATE AND PATHWAYS
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Test Conditions:
Not applicable
Results:
Not applicable
Remarks:
Hydrolysis of an organic molecule occurs when a molecule
(R-X) reacts with water (H2O) to form a new carbonoxygen bond after the carbon-X bond is cleaved (Gould,
1959; Harris, 1982b). Mechanistically, this reaction is
referred to as a nucleophilic substitution reaction,
where X is the leaving group being replaced by the
incoming nucleophilic oxygen from the water molecule.
The leaving group, X, must be a molecule other than
carbon because for hydrolysis to occur, the R-X bond
cannot be a carbon-carbon bond. The carbon atom lacks
sufficient electronegativity to be a good leaving group
and carbon-carbon bonds are too stable (high bond
energy) to be cleaved by nucleophilic substitution.
Thus, hydrocarbons, including alkenes, are not subject
to hydrolysis (Harris, 1982b) and this fate process will
not contribute to the degradative loss of chemical
components in this category from the environment.
Under strongly acidic conditions the carbon-carbon
double bond found in alkenes, such as those in the
Higher Olefins Category, will react with water by an
addition reaction mechanism (Gould, 1959). The reaction
product is an alcohol. This reaction is not considered
to be hydrolysis because the carbon-carbon linkage is
not cleaved and because the reaction is freely
reversible (Harris, 1982b). Substances that have a
potential to hydrolyze include alkyl halides, amides,
carbamates, carboxylic acid esters and lactones,
epoxides, phosphate esters, and sulfonic acid esters
(Neely, 1985).
The substances in the Higher Olefins Category are
primarily olefins that contain at least one double bond
(alkenes). The remaining chemicals are saturated
hydrocarbons (alkanes). These two groups of chemicals
contain only carbon and hydrogen. As such, their
molecular structure is not subject to the hydrolytic
mechanism discussed above. Therefore, chemicals in the
Higher Olefins Category have a very low potential to
hydrolyze, and this degradative process will not
contribute to their removal in the environment.
Conclusions:
Reliability:
References:
In the environment, hydrolysis will not contribute to
the degradation of heptene
Not applicable
Gould, E.S. (1959) Mechanism and Structure in Organic
Chemistry,
Holt, Reinhart and Winston, New York, NY, USA.
Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in:
W.J. Lyman, W.F. Reehl, and D.H. Rosenblatt, eds.,
Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.
UNEP PUBLICATIONS
195
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G.
E. Blau, eds. Environmental Exposure from Chemicals. Vol
I., pp. 157-173. CRC Press, Boca Raton, FL, USA.
C.
Stability In Soil
No data available
3.2
Monitoring Data (Environment)
No data available.
3.3
Transport and Distribution
3.3.1
A.
Transport between environmental compartments
Test Substance
Identity:
CAS No. 25339-56-4, Heptene
Method
Type:
Fugacity models, Mackay Levels I and
III
Remarks:
Trent University model used for calculations. Half-lives in
water, soil and sediment estimated using EPIWIN (EPIWIN, 2000)
Chemical assumptions:
Molecular weight:
Water solubility:
Vapor pressure:
Log Kow:
Melting point:
Environment name:
98
13.5 g/m3
7466 Pa (25°C)
3.99
-82.42°C
EQC Standard Environment
Half-life in air = 4.5 hr, half-life in water = 208 hr, halflife in soil = 208 hr, half-life in sediment = 832 hr
All other parameters were default values. Level I emissions =
1000 kg. Level III model assumed continuous 1000 kg/hr
releases to each compartment (air, water and soil).
Results
estimated
Media: Air, soil, water and sediment concentrations were
Air
Water
Soil
Sediment
Remarks:
196
Level I
100%
<1%
<1%
<1%
Level III
7.7%
79.5%
11%
1.6%
Since default assumptions for release estimates were used,
resulting environmental concentrations are not provided.
UNEP PUBLICATIONS
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Conclusions:
These results indicated that heptene will partition
primarily to air under equilibrium conditions (Level I model),
but primarily to water under the assumed pattern of chemical
release (equal loading of water, soil and air) in the Level
III model.
Reliability:
(2) Valid with restrictions: Input data are calculated.
Flag:
Critical study for SIDS endpoint
References: Trent University (2004). Level I Fugacity-based Environmental
Equilibrium Partitioning Model (Version 3.00) and Level III
Fugacity-based Multimedia Environmental Model (Version 2.80.1.
Environmental Modeling Centre, Trent University, Peterborough,
Ontario. (Available at http://www.trentu.ca/cemc)
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.
B.
Test Substance
Identity:
CAS No. 25339-56-4, Heptene
Method
Type:
Volatilization from water
Remarks:
3.11; based on
Calculated using the computer program EPIWIN version
Results:
Half-life from a model river: 1.013 hrs
Half-life from a model lake: 3.9 days
Henry’s Law Constant of 0.421 atm-m3/mole (HENRY
experimental database) and EPIWIN default values
Reliability:
calculated.
References:
3.3.2
A.
(2) Valid with restrictions. Values are
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
Distribution
Test Substance
Identity:
CAS No. 25339-56-4, Heptene
Method
Method:
Adsorption Coefficient (Koc) calculated value using the
computer program EPIWIN, PCKOC v 1.66, using the method
described by Meylan et al., 1992.
Test Conditions:
1-heptene
Based on chemical structure; program used structure for
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3. ENVIRONMENTAL FATE AND PATHWAYS
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Results
Value:
Estimated Koc = 275
Reliability:
(2)
Reliable with restrictions. Value is calculated.
Reference:
Meylan, W., P.H. Howard and R.S. Boethling (1992)
Molecular topology/fragment contribution method for
predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
B.
Test Substance
Identity:
CAS No. 25339-56-4, Heptene
Method
Method:
Henry’s Law Constant calculated value using the computer
program EPIWIN, HENRY v 3.10
Test Conditions:
Bond and Group
25°C; VP/water
values of VP =
used structure
estimates based on chemical structure, at
solubility estimates based on EPIWIN
56 mm Hg and WS = 13.4 mg/L. (program
for 1-heptene)
Results
Value:
Bond estimate = 0.476 atm-m3/mole
Group estimate = 0.756 atm-m3/mole
VP/Wsol estimate = 0.5379 atm-m3/mole
Reliability:
(2)
Reference:
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
C.
Reliable with restrictions. Values are calculated.
Test Substance
Identity:
CAS No. 592-76-7, 1-Heptene
Method
Method:
Henry’s Law Constant – experimental data from EPIWIN v.
3.11 database
Test Conditions:
No data
Results
Value:
198
0.421 atm-m3/mole
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3. ENVIRONMENTAL FATE AND PATHWAYS
3.4
1.
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Reliability:
(2) Reliable with restrictions. Result is from the
EPIWIN experimental database and data were not reviewed
for quality.
Reference:
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
Aerobic Biodegradation
TEST SUBSTANCE
Identity:
CAS No. 68526-54-5; Alkenes, C7-9, C8 Rich
Method
Method/guideline:
OECD
301F,
Respirometry Test
Ready
Biodegradability,
Manometric
Type:
GLP:
Aerobic [X ] Anaerobic [ ]
Yes
Year:
1995
Contact time:
Inoculum:
28 days
Domestic activated sludge
Test Conditions:
Activated sludge and test medium were combined prior to
test material addition. Test medium consisted of glass
distilled water and mineral salts (phosphate buffer,
ferric chloride, magnesium sulfate, and calcium
chloride).
Test vessels were 1L glass flasks placed in a waterbath
and electronically monitored for oxygen consumption.
Test material was tested in triplicate, controls and
blanks were tested in duplicate. Test material loading
was approximately 32 mg/L. [Reason for using 32 mg/L
instead of 100 mg/L: Substances such as this test
material typically have ThODs between 2 and 3 mg per mg
substance. Thus, the test material concentration was
adjusted for a target of 100 mg THOD/L] Sodium benzoate
(positive control) concentration was approximately 44
mg/L. Test temperature was 22 +/- 1 Deg C.
All test vessels were stirred constantly for 28 days
using magnetic stir bars and plates.
Results:
Approximately 29% biodegradation of the test material
was measured on day 28. Approximately 10% biodegradation
was achieved on day 17.
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HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
By day 14, >60% biodegradation of the positive control
was measured, which meets the guideline requirement. No
excursions from the protocol were noted.
Biodegradation was based on oxygen consumption and the
theoretical oxygen demand of the test material as
calculated using results of an elemental analysis of the
test material.
Degradation
Sample
Test Material
Na Benzoate
% Degradation*
Mean %
(day 28)
44.1, 28.6, 15.0
98.9, 95.5
97.2
(day 28)
29.2
* replicate data
B.
Reliability:
(2) Reliable with restrictions: The range in
biodegradation values is not less than 20% as required
in the OECD test guideline.
Flag:
Key study for SIDS endpoint
Reference:
Exxon Biomedical Sciences, Inc. (1997) Ready
Biodegradability: OECD 301F Manometric Respirometry.
Study #119194A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).
Test Substance
Identity:
CAS No. 25339-56-4, Heptene
Method
Method/guideline:
Type:
the
computer
program
EPIWIN
v
Aerobic
Test Conditions:
Estimates use methods described by Howard et al., 1992;
Boethling et al., 1994; and Tunkel et al., 2000.
Estimates are based upon fragment constants that were
developed
using
multiple
linear
and
non-linear
regression analyses.
Results:
Linear model prediction: Biodegrades fast
Non-linear model prediction: Biodegrades fast
Ultimate biodegradation timeframe: Days-Weeks
Primary biodegradation timeframe: Days
MITI linear model prediction: Biodegrades fast
MITI non-linear model prediction: Biodegrades fast
Reliability:
estimated
200
Estimated using
3.10, BIOWIN v 4.01
(2) Reliable with restriction:
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Results are
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
Reference:
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J.
Beaumann and N. Tirado (1994) Group contribution method
for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.
Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M.
Meylan, A.E. Hueber, J.A. Beauman and M.E. Larosche
(1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data.
Environ. Toxicol. Chem. 11:593-603.
Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and
H. Loonen (2000) Predicting ready biodegradability in
the MITI Test. Environ. Toxicol. Chem. (accepted for
publication)
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
3.6
BOD5, COD or ratio BOD5/COD
No data available
3.6
Bioaccumulation
Test Substance
Identity:
CAS No. 25339-56-4, Heptene
Method
Method:
BCF calculated value using the computer program EPIWIN, BCF v
2.15
Test Conditions:
Based on chemical structure and Log Kow of 3.99 (EPIWIN
experimental database). Formula used to make BCF estimate: Log
BCF = 0.77 log Kow – 0.70 with no correction factor.
Results
Value:
Estimated Log BCF =
2.372 (BCF = 235.7)
Reliability:
(2)
Reference:
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.
3.7
Reliable with restrictions. Values are calculated.
Additional Information
Sewage Treatment
Test Substance
Identity:
CAS No. 25339-56-4, Heptene
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Test Method:
GLP:
Test Medium:
Test Type:
Test Results:
Reference:
202
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Calculated, EPIWIN STP Fugacity Model, predicted fate in a
wastewater treatment facility.
Input values: MW = 98.19; Henry’s LC = 0.421 atm-m3/mol; airwater partition coefficient = 17.2176; Log Kow = 3.99; biomass
to water partition coefficient = 1955.27; temperature = 25°C
No
Secondary waste water treatment (water)
Aerobic
99.47 % removed from wastewater treatment
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
4.1
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Acute Toxicity to Fish
Test Substance
Identity:
CAS No. 68526-54-5; Alkenes, C7-9, C8 Rich
Method
Method/guideline: OECD 203
Test type:
Semi-static Fish Acute Toxicity Test
GLP:
Yes [X ] No [ ]
Year:
1995
Species/Strain:
Rainbow Trout (Oncorhynchus mykiss)
Analytical Monitoring: Yes
Exposure period: 96 hours
Statistical methods:
Trimmed Spearman-Karber Method (Hamilton, M.A. et al.
1977. Trimmed Spearman-Karber Method for Estimating Median
Lethal Concentration in Toxicity Bioassays. Environ. Sci.
Technol. 11:714-719.)
Test Conditions:
Each test solution was prepared by adding the test substance,
via syringe, to 19.5 L of laboratory blend water in 20 L glass
carboys. The solutions were mixed for 24 hours with a vortex
of <10%. Mixing was performed using a magnetic stir plate and
Teflon coated stir bar at room temperature (approximately
22C). After mixing, the solutions were allowed to settle for
one hour after which the Water Accommodated Fraction (WAF) was
siphoned from the bottom of the mixing vessel through a siphon
that was placed in the carboy prior to adding the test
material. Test vessels were 4.0 L aspirator bottles that
contained approximately 4.5 L of test solution. Each vessel
was sealed with no headspace after 4 fish were added. Three
replicates of each test material loading were prepared.
Approximately 80% of each solution was renewed daily from a
freshly prepared WAF.
Test material loading levels included: 2.6, 4.3, 7.2, 12, and
20 mg/L, which measured 0.2, 0.4, 0.7, 1.2, and 2.5 mg/L,
respectively, and are based on the mean of samples taken from
the new and old test solutions. A control containing no test
material was included and the analytical results were below
the quantitation limit, which was 0.2 mg/L.
Water hardness was 174-178 mg/L as CaCO3. Test temperature was
15C (sd = 0.09). Lighting was 578 to 580 Lux with a 16-hr
light and 8-hr dark cycle. Dissolved oxygen ranged from 8.5
to 10.2 mg/L for "new" solutions and 6.5 to 8.5 mg/L for "old"
solutions. The pH ranged from 7.0 to 8.8 for "new" solutions
and 7.0 to 8.4 for "old" solutions.
Fish supplied by Thomas Fish Co. Anderson, CA, USA; age at
test initiation = approximately 5 weeks; mean wt. at test
termination = 0.272 g; mean total length at test termination =
3.5 cm; test loading = 0.24 g of fish/L. The fish were
slightly shorter than the guideline suggestion of 4.0 to 6.0
cm, which were purposely selected to help maintain oxygen
levels in the closed system. Fish size had no significant
effect on study outcome.
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DATE: 28.04.2005
Results:
96-hour LL50 = 8.9 mg/L (95% CI 9.9 to 13.3 mg/L) based upon
loading rates.
96-hour LC50 = 0.87 mg/L (95% CI 0.79 to 0.96 mg/L) based upon
measured values of old and new solutions.
Analytical method used was Headspace Gas Chromatography with
Flame Ionization Detection (GC-FID).
Loading
Measured
Fish Total
Rate (mg/L) Conc. (mg/L)
Mortality (@96 hrs)*
Control
Control
0
2.6
0.2
0
4.3
0.4
0
7.2
0.7
1
12
1.2
12
20
2.5
12
* 12 fish added at test initiation
Reliability:
(1) Reliable without restriction
Flag:
Key study for SIDS endpoint
References:
Exxon Biomedical Sciences, Inc. (1996) Fish Acute Toxicity
Test. Study #119158. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).
4.2
Acute Toxicity to Aquatic Invertebrates (e.g. Daphnia)
No data available
4.3
Toxicity to Aquatic Plants (e.g. Algae)
No data available
4.4
Toxicity to Micro-organisms, e.g. Bacteria
No data available
4.5
Chronic Toxicity to Aquatic Organisms
A.
Chronic Toxicity to Fish
Test Substance:
CAS No. 25339-56-4, Heptene
Method/Guideline:
Type (test type): 30-day Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000)
Species:
204
Fish
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
Test Conditions:
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
The program uses structure-activity relationships (SARs)
to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 3.64, which was estimated by EPIWIN using the
structure for 1-heptene.
Results:
Units/Value:
B.
Estimated 30-day ChV = 351 µg/L
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is
calculated data.
Reference:
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
Chronic Toxicity to Aquatic Invertebrates
Test Substance:
CAS No. 25339-56-4, Heptene
Method/Guideline:
Type (test type): 16-day EC50 value calculated using the computer program
ECOSAR, version 0.99g included in the EPI Suite
software, v 3.11 (EPIWIN, 2000)
Species:
Daphnia magna
Test Conditions:
The program uses structure-activity relationships (SARs)
to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 3.64, which was estimated by EPIWIN using the
structure for 1-heptene.
Results:
Units/Value:
Flag:
Estimated 16-day EC50 = 264 µg/L
Key study for SIDS endpoint
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HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Reliability:
(2) Reliable with restrictions. The result is
calculated data.
Reference:
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
4.6
Toxicity to Terrestrial Organisms
A.
Toxicity to Terrestrial Plants.
Test Substance:
CAS No. 25339-56-4, Heptene
Method/Guideline:
Type (test type): 96-hr Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000)
Species:
Green algae
Test Conditions:
The program uses structure-activity relationships (SARs)
to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 3.64, which was estimated by EPIWIN using the
structure for 1-heptene.
Results:
Units/Value:
B.
Estimated 96-hr
ChV = 445 µg/L
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is
calculated data.
Reference:
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
Toxicity to Soil Dwelling Organisms.
No data available
C.
Toxicity to Other Non Mammalian Terrestrial Species (including Avian)
No data available
206
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5. TOXICITY
4.7
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Biological EffectsMonitoring (including Biomagnification)
No data available
4.8
Biotransformation and Kinetics
No data available
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DATE: 28.04.2005
5.1
Toxicokinetics, Metabolism and Distribution
A.
Test Substance:
n-4-Octene;
CAS No. 111-66-0,
1-Octene; CAS No. 14850-23-8, trans-
CAS No. 816-79-5, 3-Ethyl-2-Pentene
individually)
(tested
Method
Test Type
GLP
Year
Non-standard
in-vitro
No data
No data
Method:
Homogenized rat liver was incubated with olefins and
metabolites were quantified using gas-liquid and thin
layer cochromatography. Various experiments were
conducted with and without NADPH and epoxide hydrolase
inhibitors.
Test Conditions:
Livers of male Sprague-Dawley rats, weighing 180-200 g
were homogenized at 4°C in 2 volumes of isotonic KCl.
For all experiments, the aliquots were equivalent to 2 g
of liver. For quantification of metabolites, the
reaction mixture was extracted with ether, the ether
layer was removed and evaporated, the residue was
dissolved in acetone and aliquots were analyzed in a
model 5000 Barber-Colman gas chromatograph equipped with
an ionization detector. With each olefin, the identities
of the epoxide and glycol metabolites were checked by
both gas-liquid and thin layer cochromatography.
Enzymatic oxidation of olefins experiments: Mixtures of
10 µmoles of olefin dissolved in ethanol, NADPH-enriched
9000 x g supernatant of 2 g liver and standard cofactors
and phosphate buffer were incubated for 60 minutes at
37°C.
Effect of epoxide hydrolase inhibitor on metabolism of
n-1-octene: 10 µmoles olefin in ethanol added to the
incubation mixture described above. The medium contained
the NADPH-generating system and the epoxide hydrolase
inhibitor ( 2 x 10-2 M 4,5-epoxy-n-octane). Incubation
time was 30 min.
Effect of the epoxide metabolite 1,2-epoxy-n-octane on
the metabolism of n-4-octene: n-4-octene was incubated
with 20 mM 1,2-epoxy-n-octane under the conditions
described.
Results:
208
In the presence of rat liver microsomes and NADPH, n-1octene, n-4-octene and 3-ethyl-2-pentene were converted
to the glycols with no trace of epoxide. The relative
yields of the glycols from 10 µmoles of the olefins
(11.3%, 4.0%, 0.12%) indicate that increasing
substitution of the ethylenic moiety by alkyl groups
decreases the rate of the reaction. In the presence of
4,5-epoxy-n-octane, the product from 10 µmoles n-1octene contained both 1,2-epoxy-n-octane (0.40 µmoles)
and n-octane-1,2-diol (0.23 µmoles), whereas in the
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
absence of the inhibitor, only the glycol (0.64 µmoles)
could be detected. Thus, the inhibition of glycol
formation was 64%. In the presence of 1,2-epoxy-noctane, the substrate n-4-octene produced the epoxide
but not the glycol. The quantity of 4,5-epoxy-n-octane
produced was approximately equivalent to the amount of
glycol formed in the absence of the inhibitor. The
authors concluded that it is likely that the biological
conversion of the alkenes proceeds through epoxides.
Reliability:
B.
(1) Reliable without restrictions
Reference:
Maynert, E.W., Foreman, R.L., and Watabe, T. (1970)
Epoxides as olbigatory intermediates in the metabolism
of olefins to glycols. J. Biological Chemistry 245(20):
5324-5238.
Other:
This study was cited in the dossier for 1octene at SIAM 11.
Test Substance:
Nonene;
CAS No. 592-76-7, 1-Heptene ; CAS No. 2216-38-8, 2CAS No. 592-47-2, 3-Hexene; CAS No. 16746-85-3, 4-Ethyl1-Hexene; CAS No. 15870-10-7, 2-Methyl-1-Heptene; CAS
No. 3404-77-13, 3-dimethyl-1-hexene; 3-methyl-1-octene
(tested individually)
Method
Test Type
GLP
Year
Non-standard
in-vitro and in-vivo
No data available
Unknown
Test Conditions:
In-vitro: Incubation of hepatic microsomes from rats in
the presence of alkenes and NADPH with analysis for
presence of cytochrome P-450.
In-vivo: Phenobarbital-treated rats were injected i.p.
with 1-heptene, cis and trans 2-nonene, 4-ethyl-1hexene, and 3-methyl-1-octene at a dose of 400 µl/kg.
Four hrs after treatment, animals were sacrificed and
livers were analyzed for the presence of abnormal
hepatic pigments. These pigments have been shown to be
porphyrins derived from the prosthetic heme moiety of
inactivated P-450 enzymes.
Results:
In vitro: Hepatic microsomal cytochrome P-450 was
destroyed in vitro,
in the presence of NADPH, by 4-ethyl-1-hexene, 3-methyl1-octene, and 1-heptene. The cis- and trans-2-nonenes
exhibited marginal destructive activity (10% loss after
30 minutes). No significant cytochrome P-450 loss was
observed after incubation with 2-methyl-1-heptene, 3,3dimethyl-1-hexene or 3-hexene, suggesting that steric
and electronic factors can suppress the destructive
interaction. The epoxides of 3 of the terminal olefin
substrates were synthesized and shown not to intervene
in destruction of the enzyme by the parent olefins.
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DATE: 28.04.2005
In vivo: Hepatic green pigments were formed after
administration of 4-ethyl-1-hexene, 3-methyl-1-octene
and 1-heptene, indicating destruction of the P-450
enzyme. The cis- and trans-2-nonenes produced no
abnormal pigments.
Reliability:
C.
(1) Reliable without restrictions
Reference:
Ortiz de Montellano, P.R., and Mico, G.A. (1980)
Destruction of cytochrome P-450 by ethylene and other
olefins. Mol. Pharmacol. 18(1)128-135.
Test Substance:
n-1-Octene, n-4-Octene, and 3-Ethyl-2-Pentene (tested
individually)
Method
Test Type
GLP
Year
Non-standard
in-vitro
No data
No data
Method:
n-1-Octene (A) , n-4-Octene (B), and 3-Ethyl-2-Pentene
(C) and the corresponding epoxides and glycols were
studied systematically in an attempt to detect epoxide
intermediates in the biotransformation of olefins.
Test Conditions:
D.
Results:
In the presence of rat liver microsomes and TPNH, all 3
olefins were converted to the glycols with no trace of
epoxides. Treatment of B (1.6 X 10-3M) with microsomes
and TPNH in the presence of the A-epoxide (2 X 10-2M)
yielded B-epoxide without B-glycol. In contrast, A in
the presence of B-epoxide yielded approximately equal
amounts of A-epoxide and A-glycol. C-epoxide was
ineffective in inhibiting the hydrolase. The experiment
involving A-epoxide as a blocking agent indicates that
epoxides are obligatory intermediates in the conversion
of olefins to glycols.
Reliability:
(2) Reliable with restrictions: report was an
abstract with limited data.
Reference:
Watabe, T. and E.W. Maynert (1968) Role of epoxides in
the metabolism of olefins. Pharmacologist V10(1) :203
Test Substance:
CAS No. 592-76-7, 1-Heptene
Method
210
Test Type:
GLP
Year
In vivo
No data available
1995
Method:
Some olefins have been shown to be metabolized to
epoxides. For example, ethylene and propylene have been
shown to be metabolized to their corresponding oxides by
the presence in animals of the corresponding hemoglobin
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and DNA adducts. Absorption, distribution, elimination
and hemoglobin and DNA adduct formation were studied in
the rat after inhalation of individual C2 - C8 1-alkenes
[including 1-heptene] at 300 ppm, 12 hr /day for 3
consecutive days. Concentrations of olefins were
measured in blood, lung, brain, liver, kidney and
perirenal fat immediately after each exposure and 12 h
after the third exposure.
Results:
Concentrations of olefins reached steady state levels
after the first 12 hr of exposure, and the
concentrations 12 hr after the last exposure were
generally low, except in the fat. Concentrations of 1alkenes in blood and tissues increased with increasing
number of carbon atoms. In contrast, levels of
hemoglobin and DNA adducts decreased with increasing
number of carbon atoms. The decrease was most
pronounced from C2 to C3.
Concentrations of individual 1-alkenes after the third
daily 12 hr exposure to 300 ppm and concentrations in
fat 12 hr after the third exposure (n=4). All
concentrations are in µmol/kg; nd = not detectable
(detection limits not provided)
Remarks:
Chemical
Blood
Liver
Lung
Brain
Kidneys
Fat
Fat 12
hr after
3rd
exposure
Ethene
0.3
0.4
2.3
0.7
0.7
7
nd
Propene
1.1
0.3
2.9
1.7
1.8
36
nd
1-Butene
1.9
0.8
4.9
3.0
5.7
70
0.3
1Pentene
8.6
51.6
31.4
41.0
105.7
368
19
1-Hexene
18.2
66.8
59.7
59.7
188.0
1031
77
1Heptene
37.0
138.3
85.6
109.3
269.3
2598
293
1-Octene
60.1
443.7
202.4
270.0
385.1
4621
943
The increased retention in fat of 1-alkenes with higher
carbon numbers is presumably a function of their
increased lipophilicity, and decreased likelihood to be
exhaled unchanged, compared to the lower volatile 1alkenes. Since unchanged 1-alkenes are not considered
to be toxic, and because tissue levels rapidly cleared
after exposure ceased, this concentration, especially in
fat tissues, is unlikely to have any biological effect.
An implication of the metabolic formation of an epoxide,
as determined by hemoglobin and DNA adducts, is that
the 1-alkenes are likely to be genotoxic. However
ethylene, which formed these adducts to a much greater
extent than the higher homologs, has been specifically
investigated in lifetime animal cancer bioassays at
concentrations up to 3000 ppm, and determined to be
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negative [Hamm, T.E. Jr., Guest, D, and Dent, J.G.
(1984) Fundam. Appl. Toxicol. 4(3 Pt 1):473-8]. It is
highly unlikely that the higher homologs, including 1hexene, will be genotoxic or carcinogenic under these
conditions.
Reliability:
5.2
A.
(1) Reliable without restrictions.
Reference:
Eide, I., R. Hagerman, K. Zahlsen, E. Tareke, M.
Tornquist, R. Kumar, P. Vodicka and K. Hemminki (1995)
Uptake, distribution, and formation of hemoglobin and
DNA adducts after inhalation of C2-C8 1-alkenes
[olefins] in the rat. Carcinogenesis. 16, 1603 - 1609.
Other:
This study was included in the dossier for 1-hexene at
SIAM 11. Additional information has been added.
Acute Toxicity
Acute oral toxicity
Test Substance
Identity (purity):
CAS No. 68526-54-5; Alkenes, C7-9, C8 Rich
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals per
sex per dose:
NA
LD50
Pre-GLP
1975
Albino Rat
Males
Vehicle:
Route of
administration:
NA
Test Conditions:
10
Oral gavage
For the purpose of this study, the test material was
considered to be free of impurities. Age of the test
animals was not reported. Body weights ranged from 166
to 206g at initiation of the study and from 220 to 260g
on Day 7. A single dose of undiluted test material
(5,000 mg/kg) was administered to male rats (not
fasted). Individual body weights were recorded on Day 0
and Day 7. Gross necropsy examinations were performed
on all animals that died or were killed. The statistics
used to analyze the data were not reported.
Results:
Value:
Number of deaths
at each dose level:
212
LD50 > 5000 mg/kg
There were no deaths
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Hypoactivity and diarrhea were noted within 6-22 hours
post-oral administration and subsided by the second
post-oral exposure day. There were no significant
findings observed during the gross necropsy examination.
Under the conditions of this study, Alkenes, C7-9, C8
rich have a low order of acute oral toxicity.
Reliability:
guideline study
B.
(1) Reliable without restrictions, comparable to a
Flag:
Key study for SIDS endpoint.
References:
Exxon Research and Engineering Company (1975) Chemical
Hazard Data Sheet on Octenes and Acute Oral Toxicity
Study, Acute Dermal Toxicity Study, Eye Irritation
Toxicity Test and Acute Vapor Inhalation Toxicity Study
with Alkenes, C7-9, C8 Rich (unpublished report).
Acute inhalation toxicity
Test Substance
Identity (purity):
CAS No. 68526-53-4; Alkenes, C6-8, C7 rich
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
NA
LC50
Pre-GLP
1979
Swiss albino Mice, Sprague-Dawley Rats, Hartley Guinea
Pigs
Males and Females
Sex:
No. of animals
per sex per dose: 5
Vehicle:
Route of
administration:
None
Test Conditions:
Age of the test animals was not reported. Body weights
ranged from 17 to 23 g (mice), 187 to 260 g (rats), and
293 to 381g (guinea pigs) at initiation of the study.
Animals were given a single dose of test substance vapor
at a concentration of 42.3 mg/L (10,533 ppm) for 6 h.
Control animals (5/sex/species) were exposed to clean
air as a sham exposure.
Inhalation - vapor
Room air, at a flow rate of 134 l/minute was bubbled
through test material in a flask to produce a vaporladen airstream that was directed, undiluted, into the
exposure chamber. The nominal exposure concentration
was calculated by dividing the mass of test material
consumed by the total volume of air passing through the
chamber. For the purpose of this study, the test
material was considered to be free of impurities.
Animals were observed throughout the exposure period for
signs of toxicity. Following the exposure period,
animals were observed for signs of toxicity daily for 14
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days. Body weights were recorded on Days 0, 1, 2, 4, 7,
and 14. Gross necropsies were performed on any animals
that died during the study and all animals at the
completion of the study. During the necropsies, the
lungs with trachea, kidneys, and liver were preserved
for possible histopathological examination. The
statistics used to analyze the data were not reported.
Results
Value:
LC50 > 42.3 mg/L (10,533 ppm) for 6 h
Number of deaths
at each dose level:
C.
One female mouse died 1 hr into the exposure
period. Two guinea pigs (1 male and 1 female) died
by 45 minutes into the exposure period. No rats
died during the study.
Remarks:
In mice, exposure to 42.3 mg/L of the test substance
resulted in 1 death (female) 1 hour into the exposure
period. All other mice survived until the end of the
study. None of the rats died during the study. Two
guinea pigs (1 male and 1 female) died by 45 minutes
into the exposure period. The remaining guinea pigs
survived until the end of the study. All exposed species
exhibited signs of systemic toxicity including labored
breathing, prostration, body tremors, and ataxia during
the exposure. However, in the surviving animals, these
signs completely reversed within 24 hours following the
exposure. Liver discoloration was noted upon necropsy
in the mouse and the two guinea pigs that died during
the exposure. Otherwise, no significant findings were
observed at necropsy. Under conditions of this study,
Alkenes, C6-8, C7 rich have a low order of acute
inhalation toxicity in rodents.
Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
Bio/dynamics, Inc. (1979) An Acute Inhalation Toxicity
Study of MRD-ECH-78-32 in the Mouse, Rat, and Guinea
Pig. Conducted for Exxon Research and Engineering
Company (unpublished report).
Acute dermal toxicity
Test Substance
Identity (purity):
CAS No. 68526-53-4; Alkenes, C6-8, C7 rich
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
214
Not specified
LD50
Pre-GLP
1978
New Zealand White rabbits
Males and females
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No. of animals
per sex per dose:
2
Vehicle:
Route of
administration:
Test Conditions:
None
Dermal
For the purpose of this study, the test material was
considered to be free of impurities. Concentration
levels were 200 and 3160 mg/kg. Test animals were at
least 9 weeks old and weighed between 2.2 and 3.3 kg at
the start of the study. Undiluted test material was
applied to clipped, abraded abdominal skin under gauze
and thick plastic. Following the 24-hour exposure
period, the wrapping was removed and the exposed area
was wiped to remove residue. Animals were observed for
gross signs of irritation and systemic toxicity 1,2,3,
and 4 hours post dose and daily for 14 days. Following
the post-exposure observation period, animals were
weighed, sacrificed and necropsied. Throughout the
study, food and water were available at all times and
animals were housed individually. Statistics used to
evaluate the data were not reported.
Results:
Value:
Number of deaths
at each dose level:
Remarks:
D.
LD50 > 3160 mg/kg
No mortalities were observed at any dose tested.
Lethargy and ataxia were observed in all animals, but
these symptoms cleared by Day 2. Dermal reactions were
generally moderate at 200 mg/kg and cleared by Day 14.
In the high dose group, more severe dermal reactions,
including moderate edema and severe erythema, persisted
through the study. No significant fluctuations in body
weight occurred. Necropsy findings were unremarkable
except for a pus-filled liver in 1 rabbit from the high
dose group. Under the conditions of this study, Alkenes,
C6-8, C7 rich have a low order of acute dermal toxicity.
Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
MB Research Laboratories, Inc. (1978) Acute Dermal
Toxicity in Albino Rabbits (unpublished report).
Acute toxicity, other routes
No data available
5.3
Corrosiveness/Irritation
A.
Skin Irritation/Corrosion
Test Substance
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Identity (purity):
CAS No. 68526-53-4; Alkenes, C6-8, C7 rich
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals
per sex per dose:
Not specified
Dermal irritation
Pre-GLP
1978
Albino rabbits
Males and females
Vehicle:
Route of
administration:
None
Test Conditions:
2
Dermal
Concentration levels were 200 and 3160 mg/kg. Undiluted
test material was applied to clipped, abraded abdominal
skin under gauze and thick plastic. Following the 24hour exposure period, the wrapping was removed and the
exposed area was wiped to remove residue. Animals were
observed for gross signs of irritation and systemic
toxicity 1,2,3, and 4 hours post dose and daily for 14
days. Following the post-exposure observation period,
animals were weighed, sacrificed and necropsied.
Throughout the study, food and water were available at
all times and animals were housed individually. Test
animals were at least 9 weeks old and weighed between
2.2 and 3.3kg at the start of the study. Statistics
used to evaluate the data were not reported.
Results:
Value:
Irritant
Dose
Level
Dermal Scores
Erythema
Mean
Max
Mean
200 mg/kg 1.4
3160 mg/kg 2.6
Number of deaths
at each dose level:
Remarks:
Reliability:
References:
216
2.0
3.0
0.5
1.3
Edema
Max
1.5
2.3
No mortalities were observed at any dose tested.
Dermal reactions were generally moderate at 200 mg/kg
and cleared by Day 14. In the high dose group, more
severe dermal reactions, including moderate edema and
severe erythema, persisted through the study. No
significant fluctuations in body weight occurred.
Necropsy findings were unremarkable except for a pusfilled liver in 1 rabbit from the high dose group.
(1) Reliable without restrictions
MB Research Laboratories, Inc. (1978) Acute Dermal
Toxicity in Albino Rabbits (unpublished report).
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B. Eye Irritation/Corrosion
(1)
Test Substance
Identity (purity):
CAS No. 68526-53-4; Alkenes, C6-8, C7 rich
Method
(2)
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals
per dose:
Not specified
Ocular irritation
Pre-GLP
1978
Albino rabbits
Males and females
Vehicle:
Route of
administration:
None
Test Conditions:
The test material was administered as a single
instillation of 0.1 ml into the lower conjunctival
sac of the right eye of each animal. The upper
and lower lids were gently held together briefly
to insure adequate distribution of the test
material. The contralateral eye in each rabbit
served as the control. Throughout the study, food
and water were available at all times and animals
were housed individually. Test animals were at
least 9 weeks old and weighed between 1.8 and
3.5kg at the start of the study. Statistics used
to evaluate the data were not reported.
The general health of each rabbit was examined for
irritation of the cornea, iris and conjunctiva at
1 and 4 hours and on days 1, 2, 3, 4 and 7.
Ocular reactions were graded according to the
Draize Standard Eye Irritation Grading Scale.
Results:
Maximum total Draize score = 15
Remarks:
There were no animal deaths prior to study
termination. Based on these findings, this test
material is neither an irritant or a non-irritant
according to the criteria of this test. Slight to
moderate irritation was noted at the first and
fourth hour. Slight irritation continued to Day 2
in two rabbits.
Reliability:
(1) Reliable without restrictions
References:
MB Research Laboratories, Inc. (1978) Eye
Irritation in Albino Rabbits (unpublished report).
6
Ocular
Test Substance
Identity (purity):
CAS No. 68526-53-4; Alkenes, C6-8, C7 rich
Method
Method/guideline: Not specified
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Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals
per dose:
Ocular irritation
Pre-GLP
1975
Albino rabbits
Males and females
Vehicle:
Route of
administration:
None
Test Conditions:
The test material was administered as a single
instillation of 0.1 ml into the lower conjunctival
sac of the right eye of each animal. The upper
and lower lids were gently held together briefly
to insure adequate distribution of the test
material. The contralateral eye in each rabbit
served as the control. Throughout the study, food
and water were available at all times and animals
were housed individually. The age and weight of
the test animals was not reported Statistics used
to evaluate the data were not reported. The
general health of each rabbit was examined for
irritation of the cornea, iris and conjunctiva at
1 and 4 hours and on days 1, 2, 3, 4 and 7.
Ocular reactions were graded according to the
Draize Standard Eye Irritation Grading Scale.
Results:
Maximum total Draize score = 15
Remarks:
There were no animal deaths prior to study
termination. All observations were completely
cleared by 72 hours. Based on these findings,
this test material was minimally irritating.
Slight to moderate irritation was noted at the
first and fourth hour.
Reliability:
(1) Reliable without restrictions
References:
Industrial Bio-Test Laboratories, Inc. (1975) Eye
Irritation Test - Albino Rabbits (unpublished
report).
6
Ocular
Skin Sensitisation
No data available
5.5
Repeated Dose Toxicity
No data available
5.6
Genetic Toxicity in vitro
A.
Gene Mutation
No data available
218
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Chromosomal Aberration
No data available
5.7
Genetic Toxicity in vivo
Test Substance
Identity (purity):
CAS No. 68526-53-4; Alkenes, C6-8, C7 Rich
Method
Method/guideline: EPA OTS 798.5395
Type:
Micronucleus Assay
GLP:
Yes
Year:
1993
Species:
Mouse
Strain:
B6C3F1
Sex:
Male and female
Route of
Administration:
Oral gavage
Concentration levels:
1.25, 2.5, and 5 g/kg. Concentrations were based on the
results of a range-finding study.
Exposure period: Single dose
Statistical methods:
Analysis of variance (ANOVA), Duncan's Multiple Range
Test. Sexes were analyzed separately.
Test Conditions:
Results
For the purpose of this study, the test material was
considered to be free of impurities. The test material and
the carrier (corn oil) were administered by oral gavage as
single doses to 15 mice/sex/dose (not fasted). The positive
control, cyclophosphamide, was also administered by oral
gavage as a single dose of 40 mg/kg. The dosing volume was
the same as that of the test material. The test animals were
approximately 7 to 9 weeks of age and weighed between 19 and
28 g at the start of the study. Animals from the appropriate
groups (5 animals/sex/group) were sacrificed by carbon dioxide
asphyxiation at appropriately 24, 48 and 72 hours after dose
administration. Animals dosed with cyclophosphamide were
sacrificed at 24 hours only. Immediately upon sacrifice, the
bone marrow was removed from both femurs of each animal,
resuspended in fetal bovine serum, and prepared for
microscopy. Samples were blindly coded and stained with
acridine orange. 1000 polychromatic erythrocytes (PCE) from
each animal were examined for micronuclei, and the ratio of
PCE's to NCE's (normochromatic erythrocytes) was determined
for each animal by counting 1000 erythrocytes (PCE's and
NCE's).
Effect on
PCE/NCE ratio:
None
Genotoxic effects:
Under the conditions of this study, the test sample is
not considered to be mutagenic at doses up to and including
5.0 g/kg.
NOEL:
5.0
g/kg
Remarks:
There was no statistically significant increase in the mean
number of micronucleated polychromatic erythrocytes,
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indicating that the test material was not clastogenic. The
positive control induced a statistically significant increase
in the mean number of micronucleated polychromatic
erythrocytes, which indicates that the positive control is
clastogenic. The test material did not induce a statistically
significant increase in the mean number of micronucleated
polychromatic erythrocytes. In addition, the test material
did not induce a significant decrease in the mean percent of
polychromatic erythrocytes, which is a measure of bone marrow
toxicity.
Reliability:
Flag:
References:
5.8
(1) Reliable without restrictions
Key study for SIDS endpoint
Exxon Chemical Company (1993) In vivo Mammalian Bone Marrow
Micronucleus Assay: Oral Gavage Method (unpublished report).
Carcinogenicity
No data available
5.9
Reproductive Toxicity (including Fertility and Developmental Toxicity).
A.
Fertility
No data available
B.
Developmental Toxicity
No data available
5.10
Other Relevant Information
Aspiration
Test Substance
Identity:
C6-18 even carbon numbered alpha olefins
Method
Type:
Species:
Strain:
Sex:
Route of
Administration:
Dose:
aspiration
0.2 mL
Results:
See Remarks
220
General toxicity – aspiration
Rat
Wistar
Male
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Remarks:
C6-C18 alkenes (even carbon numbers, alpha olefins), source
and purity unspecified, were assessed for aspiration hazard in
an animal study using Wistar rats. Four or five males were
used per test article. Two-tenths mL of the test material was
placed in the mouths of rats that had been anesthetized to the
point of apnea in a covered wide mouth gallon jar containing
about 1 inch of wood shavings moistened with approximately 1
ounce of anhydrous diethyl ether.
As the animals began to
breathe again, the nostrils were held until the test material
had been aspirated or the animal regained consciousness. All
alkenes tested except 1- hexene were aspirated into the lungs.
1-Hexene was difficult to dose because of its volatility. Two
animals survived because the hydrocarbon “boiled” out of the
mouth before it was aspirated. All animals exposed to C8 to C14
died within 24 hours. With C16 and C18, there was only one
death (C18). Lung weights were increased in alkenes-treated
animals compared with controls. The affected animals showed
chemical pneumonitis. The report concluded that there is a
significant aspiration hazard with C6 to C14 alkenes.
Reference:
Gerarde, H.W. (1963) Toxicological Studies on
Archives of Environmental Health 6:329-341.
5.11
Hydrocarbons.
Experience with Human Exposure
No data available
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6. REFERENCES
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
American Chemistry Council’s Higher Olefins Panel (2002) Personal communication.
Atkinson, R (1989); EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental Protection Agency, Office
of Pollution Prevention and Toxics, U.S.A.
Bio/dynamics, Inc. (1979) An Acute Inhalation Toxicity Study of MRD-ECH-78-32 in
the Mouse, Rat, and Guinea Pig. Conducted for Exxon Research and Engineering
Company (unpublished report).
Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J. Beaumann and N. Tirado
(1994) Group contribution method for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.
Daubert, T.E. and R.P. Danner (1989) Physical and Thermodynamic Properties of
Pure Chemicals: Data Compilation; Design Institute for Physical Property Data,
American Institute of Chemical Engineers. Hemisphere Pub. Corp., New York, NY;
EPIWIN (2000). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
Eide, I., R. Hagerman, K. Zahlsen, E. Tareke, M. Tornquist, R. Kumar, P. Vodicka
and K. Hemminki (1995) Uptake, distribution, and formation of hemoglobin and DNA
adducts
after
inhalation
of
C2-C8
1-alkenes
[olefins]
in
the
rat.
Carcinogenesis. 16, 1603 - 1609.
EPIWIN (2000). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
Exxon Biomedical Sciences, Inc. (1996) Fish Acute Toxicity Test. Study #119158.
Exxon Biomedical Sciences, Inc., East Millstone, NJ, USA (unpublished report).
Exxon Biomedical Sciences, Inc. (1997)
Ready Biodegradability: OECD 301F
Manometric Respirometry. Study #119194A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).
Exxon Chemical Company (1993) In vivo Mammalian Bone Marrow Micronucleus Assay:
Oral Gavage Method (unpublished report).
Exxon Research and Engineering Company (1975)
Chemical Hazard Data Sheet on
Octenes and Acute Oral Toxicity Study, Acute Dermal Toxicity Study, Eye
Irritation Toxicity Test and Acute Vapor Inhalation Toxicity Study with Alkenes,
C7-9, C8 Rich (unpublished report).
Gerarde, H.W. (1963) Toxicological
Environmental Health 6:329-341.
Studies
on
Hydrocarbons.
Archives
of
Gould, E.S. (1959) Mechanism and Structure in Organic Chemistry, Holt, Reinhart
and Winston, New York, NY, USA.
Hansch. C., A. Leo and D. Hoekman (1995)
Exploring QSAR. Hydrophobic,
Electronic, and Steric Constants. ACS Professional Reference Book. Washington,
DC: American Chemical Society.
Harris J C (1982a). Rate of Aqueous Photolysis. Chapter 8 in: W. J. Lyman, W. F.
Reehl, and D. H. Rosenblatt, eds., Handbook of Chemical Property Estimation
Methods, McGraw-Hill Book Company, New York, USA
222
UNEP PUBLICATIONS
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6. REFERENCES
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in: W.J. Lyman, W.F. Reehl,
and D.H. Rosenblatt, eds., Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.
Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M. Meylan, A.E. Hueber, J.A.
Beauman and M.E. Larosche (1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data. Environ. Toxicol. Chem.
11:593-603.
Industrial Bio-Test Laboratories,
Rabbits (unpublished report).
Inc.
(1975)
Eye
Irritation
Test
-
Albino
Joback, K.G. 1982. A Unified Approach to Physical Property Estimation Using
Multivariate Statistical Techniques.
In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E. Poling, Eds.
Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry and Physics. 79th ed. Boca
Raton, FL: CRC Press Inc., p. 3-181.
Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds. (1990) Handbook of Chemical
Property Estimation. Chapter 14. Washington, D.C.: American Chemical Society.
Maynert, E.W., Foreman, R.L., and Watabe, T. (1970) Epoxides as olbigatory
intermediates in the metabolism of olefins to glycols. J. Biological Chemistry
245(20): 5324-5238.
MB Research Laboratories, Inc. (1978) Acute Dermal Toxicity in Albino Rabbits
(unpublished report).
MB Research Laboratories,
(unpublished report).
Inc.
(1978)
Eye
Irritation
in
Albino
Rabbits
Meylan, W. and P. Howard (1995) Atom/fragment contribution method for estimating
octanol-water partition coefficients. J. Pharm. Sci. 84:83-92.
Meylan, W., P. Howard and R. Boethling (1996) Improved method for estimating
water solubility from octanol/water partition coefficient. Environ. Toxicol.
Chem. 15:100-106.
Meylan, W., P.H. Howard and R.S. Boethling (1992) Molecular topology/fragment
contribution method for predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7
Neely and Blau (1985) Environmental Exposure from Chemicals, Volume 1, p. 31,
CRC Press.
Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G. E. Blau, eds.
Environmental Exposure from Chemicals. Vol I., pp. 157-173. CRC Press, Boca
Raton, FL, USA.
NLM (2003). TRI (Toxic Release Inventory). U.S. National Library of Medicine,
Specialized Information Services, National Institutes of Health, Department of
Health and Human Services. September 2003 (http://toxnet.nlm.nih.gov).
Ortiz de Montellano, P.R., and Mico, G.A. (1980) Destruction of cytochrome P-450
by ethylene and other olefins. Mol. Pharmacol. 18(1)128-135.
Shell Chemical Company MSDS
Shell Chemicals UK Ltd. Chester (cited in IUCLID)
UNEP PUBLICATIONS
223
OECD SIDS
6. REFERENCES
HEPTENE
ID: 25339-56-4
DATE: 28.04.2005
Stein, S. and R. Brown (1994) Estimation of normal boiling points from group
contributions (1994) J. Chem. Inf. Comput. Sci. 34: 581-587.
Trent University (2004). Level I Fugacity-based Environmental Equilibrium
Partitioning Model (Version 3.00) and Level III Fugacity-based Multimedia
Environmental Model (Version 2.80.1). Environmental Modeling Centre, Trent
University, Peterborough, Ontario. (Available at http://www.trentu.ca/cemc)
Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and H. Loonen (2000)
Predicting ready biodegradability in the MITI Test. Environ. Toxicol. Chem.
(accepted for publication)
Watabe, T. and E.W. Maynert (1968)
olefins. Pharmacologist V10(1) :203
Role
of
epoxides
in
the
metabolism
of
Yalkowsky, S.H. and R.M. Dannenfelser (1992) AQUASOL dATAbASE of Aqueous
Solubility. Fifth ed. Tucson, AZ, University of Arizona, College of Pharmacy
Zepp, R. G. and D. M. Cline (1977). Rates of Direct Photolysis in the Aqueous
Environment, Environ. Sci. Technol., 11:359-366.
224
UNEP PUBLICATIONS
OECD SIDS
OCTENE
SIDS DOSSIER
ON THE HPV CHEMICAL
OCTENE
CAS No.: 25377-83-7
Contains Robust Summaries for the Following Substances:
CAS No. 25377-83-7, Octene
CAS No. 111-66-0, 1-Octene
CAS No. 68526-54-5, Alkenes, C7-9, C8 Rich
C6-C8 Internal Olefins
CAS No. 111-67-1, 2-Octene
CAS No. 68526-55-6; Alkenes, C8-10, C9 Rich
Sponsor Country: USA
Date of submission to OECD:
April 28, 2005
UNEP PUBLICATIONS
225
OECD SIDS
1. GENERAL INFORMATION
1.
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
GENERAL INFORMATION
Substance Information
A.
CAS Number:
25377-83-7
B.
Name (OECD):
Octene
C.
Name (IUPAC):
Octene
D.
CAS Descriptor:
Not applicable
E.
EINECS Number:
246-920-8
F.
Molecular Formula:
C8 H16
G.
Structural Formula:
Various linear or branched isomers with internal
double bonds with the basic structure of CH3CH=CH-(CH2)4-CH3
Sponsor Country:
United States of America
Lead Organisation:
Name of Lead Organisation:
Contact person:
Address:
• Street:
• Postal code:
• Town:
• Country:
• Tel:
United States of America Environmental
Protection Agency
Mr. Oscar Hernandez, Director
U.S. Environmental Protection Agency
Risk Assessment Division (7403 M)
1200 Pennsylvania Avenue, NW
20460
Washington, D.C. 20460
United States of America
(202) 564-7461
Name of Responder (Industry Consortium):
Name:
Contact:
Address:
• Street:
• Postal code:
• Town:
• Country:
• Tel:
• Fax:
American Chemistry Council (Higher Olefins
Panel)
Mr. W. D. Anderson, Higher Olefins Panel Manager
1300 Wilson Boulevard
22209
Arlington, VA
United States of America
(703)741-5616
(703) 741-6091
Details on Chemical Category
This profile includes an evaluation of SIDS-level testing data, using a category
approach, with six individual internal olefins (C6 – C10 and C12), a C10 – 13
internal olefins blend and two linear alpha olefins (1-hexadecene and 1226
UNEP PUBLICATIONS
OECD SIDS
1. GENERAL INFORMATION
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
octadecene), all of which are monoolefins. The internal olefins are
predominantly linear, but may contain small amounts of branched materials. For
the purposes of the ICCA HPV Program, the category was defined as “Higher
Olefins.” The category designation was based on the belief that, within the C6
to C18 boundaries identified,
internalizing the location of the carbon-carbon
double bond, increasing the length of the carbon chain, and/or changing the
carbon skeleton’s structure from linear to branched does not change the toxicity
profile, or changes the profile in a consistent pattern from lower to higher
carbon numbers. This expectation is supported by a large amount of existing data
for alpha and internal olefins with carbon numbers ranging from C6 to C24. The
members of the category are:
Hexene
CAS # 25264-93-1
Heptene
CAS # 25339-56-4
Octene
CAS # 25377-83-7
Nonene
CAS # 27215-95-8
Decene
CAS # 25339-53-1
Dodecene
CAS # 25378-22-7
Alkenes, C10-C13
CAS# 85535-87-1
1-Hexadecene
CAS # 629-73-2
1-Octadecene
CAS # 112-88-9
1.1
General Substance Information
A.
Type of Substance
Element [ ]; Inorganic [ ]; Natural substance [ ]; Organic [X ];
Organometallic [ ];
Petroleum product [ ]
B.
Physical State (at 20°C and 1.013 hPa)
Gaseous [ ]; Liquid [X ]; Solid [ ]
C.
Purity:
Remark:
1.2
Impurities:
1.3
Additives
This substance is manufactured and marketed as a component of
a C6-C8 Olefins distillation cut.
Synonyms: C68 Olefins,
SHOP C68-Internal Olefins
C6-C8 Internal Olefins, I C6-C8. The C6-C8 internal olefin
blend has been reported as comprising 1.9% C5, 43.3% C6, 21.7%
C7, 31.7% C8, 1.4% C9.
None
UNEP PUBLICATIONS
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1. GENERAL INFORMATION
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
1.4 Synonyms
Some synonyms are:
1.5
Octene, Isomer(s)
Octylene
Octenes
Quantity
Remarks:
U.S. production volume for octene in 2002 was 50-100 million pounds.
This information was provided by the members of the American
Chemistry Council’s Higher Olefins Panel.
Reference:
American Chemistry Council’s Higher Olefins Panel (2002)
1.6
Use Pattern
A.
General Use Pattern
Type of Use:
Category:
(a) Main
Industrial
synthesis
Use
Use in closed systems
Chemical industry – chemicals used in
Remarks:
(b)
Main
Industrial
synthesis
Use
Remarks:
(c)
Main
Industrial
Use
Reference:
B.
Intermediate
Intermediate in the manufacture of low
molecular weight fatty acids, mercaptans,
plasticizer alcohols, surfactants
Non-dispersive use
Chemical industry – chemicals used in
Intermediate
Intermediate in the manufacture of low
molecular weight fatty acids, mercaptans,
plasticizer alcohols, surfactants
Use in closed systems
Polymers industry
Intermediate
American Chemistry Council’s Higher Olefins Panel (2002)
Uses In Consumer Products
Not applicable
1.7
Sources of Exposure
Source:
Remarks:
228
This product is produced commercially in closed systems and is used
primarily as an intermediate in the production of other chemicals
(including polymers). No non-intermediate applications have been
identified. Any occupational exposures that do occur are most likely
by the inhalation and dermal routes. It is a common practice to use
personal protective equipment.
In the case of dermal exposures,
UNEP PUBLICATIONS
OECD SIDS
1. GENERAL INFORMATION
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
protective gloves would be worn due to the mildly irritating
properties of this class of chemicals (ACC Higher Olefins Panel).
Results from modelled data suggest that on-site waste treatment
processes are expected to remove this substance from aqueous waste
streams to the extent that it will not be readily detectable in
effluent discharge (EPIWIN, 2000b). This substance is not on the US
Toxic Release Inventory (TRI) list (NLM, 2003). This olefin will not
persist in the environment because it can be rapidly degraded
through biotic and abiotic processes.
Reference:
American Chemistry Council’s Higher Olefins Panel (2002)
1.8
Additional Information
A.
Classification and Labelling
Classification
Type:
Category of danger:
R-phrases:
as in Directive 67/548/EEC
Highly Flammable, Harmful, Irritant, Dangerous to
the Environment
(11) Highly flammable
38) Irritating to skin
(51/53) Toxic to aquatic organisms and may cause
long-term adverse
effects in the aquatic environment
(65) Harmful: may cause lung damage if swallowed
Labelling
Type:
Specific limits:
Symbols:
Nota:
R-phrases:
S-phrases:
discharges
as in Directive 67/548/EEC
no
F, Xn, N
(11) Highly flammable
(38) Irritating to skin
(51/53) Toxic to aquatic organisms and may cause longterm adverse
effects in the aquatic environment
(65) Harmful: may cause lung damage if swallowed
(9) Keep container in a well ventilated place
(16) Keep away from sources of ignition – No smoking
(24) Avoid contact with skin
(29) Do not empty into drains
(33) Take precautionary measures against static
(61) Avoid release to the environment
(S62) If swallowed, do not induce vomiting: seek medical
advice immediately and show this container or label
B.
Occupational Exposure Limits
Exposure Limit Value
Type:
Value:
None established
UNEP PUBLICATIONS
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1. GENERAL INFORMATION
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
Short Term Exposure Limit Value
Value:
C.
OPTIONS FOR DISPOSAL
Remarks:
D.
Incineration, diversion to other hydrocarbon uses
Last Literature Search
Type of search:
Date of search:
Remark:
230
None established
Internal and external
October 2003
Medline
IUCLID
TSCATS
ChemIDplus
AQUIRE - ECOTOX
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
2.1
Melting
A.
Test Substance
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
Point
Identity:
CAS No. 25377-83-7, Octene
Method
Method/
guideline followed:
No data
GLP:
No data
Year:
No data
Test Conditions:
No data
Results
Melting point
value in °C:
B.
-109°C
Reliability:
(2) Reliable with restrictions: The result is measured
data as cited in the EPIWIN database. These data were
not reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
Test Substance
Identity:
CAS No. 25377-83-7, Octene
Method
Method/
guideline followed:
Calculated value using the computer program EPIWIN
version 3.10
GLP:
Not applicable
Year:
Not applicable
Test Conditions:
Results
Melting point
value in °C:
Reliability:
Melting Point is calculated by the MPBPWIN subroutine,
which is based on the average results of the methods of
K. Joback, and Gold and Ogle, and chemical structure.
Joback's Method is described in Joback, (1982). The Gold
and Ogle Method simply uses the formula Tm = 0.5839Tb,
where Tm is the melting point in Kelvin and Tb is the
boiling point in Kelvin. Program used the structure for
1-octene.
-69.8°C
(2) Reliable with restrictions. The result is
calculated data based on chemical structure as modeled
by EPIWIN.
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2. PHYSICO-CHEMICAL DATA
References:
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
Joback, K.G. 1982. A Unified Approach to Physical
Property Estimation Using Multivariate Statistical
Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E.
Poling, Eds.
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
C.
TEST SUBSTANCE
Identity:
C6-C8 Internal Olefins
Method
Method/guideline followed:
ASTM D2386
GLP:
No data
Year:
No data
Test Conditions:
No data
Results
Melting point value in °C:
D.
-50°C
Reliability:
(4) Not assignable. These data were not reviewed
for quality.
References:
Shell Chemicals UK Ltd. Chester (cited in IUCLID)
TEST SUBSTANCE
Identity:
2-Octene
Method
Method/guideline followed:
No data
GLP:
No data
Year:
No data
Test Conditions:
No data
Results
Melting point value in °C:
232
-100.2 to
-87.7°C
Reliability:
(2) Reliable with restrictions. These data were
not reviewed for quality.
References:
Lide, D.R. (ed.) (1998-1999) CRC Handbook of
Chemistry and Physics. 79th ed. Boca Raton, FL: CRC
Press Inc., p. 3-233.
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
E.
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
TEST SUBSTANCE
Identity:
3-Octene
Method
Method/guideline followed:
GLP:
Year:
Test Conditions:
No data
No data
No data
No data
Results
Melting point value in °C:
-126 to
-110 °C
Reliability:
(2) Reliable with restrictions. Reliable
secondary source. These data were not reviewed for
quality.
References:
Lide, D.R. (ed.) (1998-1999) CRC Handbook of
Chemistry and Physics. 79th ed. Boca Raton, FL: CRC
Press Inc., p. 3-233.
2.2
Boiling Point
A.
Test Substance
Identity:
CAS No. 25377-83-7, Octene
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
No data
No data
No data
No data
Results
Boiling point
value in °C:
Pressure:
Pressure unit:
B.
123°C
1013
hPa
Reliability:
(2) Reliable with restrictions. The result is measured
data as cited in the EPIWIN database. These data were
not reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
Test Substance
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2. PHYSICO-CHEMICAL DATA
Identity:
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
CAS No. 25377-83-7, Octene
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10
Not applicable
Not applicable
Boiling Point is calculated by the MPBPWIN subroutine,
which is based on the method of Stein and Brown (1994).
Program used the structure for 1-octene.
Results
Boiling point
value in °C:
Pressure:
Pressure unit:
118.13°C
1013
hPa
Reliability:
(2) Reliable with restrictions. The result is
calculated data based on chemical structure as modeled
by EPIWIN.
References:
Stein, S. and R. Brown (1994) Estimation of normal
boiling points from group contributions (1994) J. Chem.
Inf. Comput. Sci. 34: 581-587.
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
C.
Test Substance
Identity:
C6-C8 Internal Olefins
Method
Method:
GLP:
Year:
ASTM D68
No data
No data
Test Conditions:
No data
Results
Boiling point value:
74-120°C
Pressure:
No data
Remarks:
Upper value is for 90% distilled.
234
Reliability:
(4) Not assignable. These data were not reviewed for
quality.
References:
Shell Chemicals UK Ltd. Chester (cited in IUCLID)
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
D.
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
TEST SUBSTANCE
Identity:
2-Octene
Method
Method/guideline followed:
GLP:
Year:
Test Conditions:
No data
No data
No data
No data
Results
Boiling point value:
pressure:
Pressure unit:
125 – 125.6°C
1013
hPa
Reliability:
(2) Reliable with restrictions. Reliable
secondary source. These data were not reviewed for
quality.
References:
Lide, D.R. (ed.) (1998-1999) CRC Handbook of
Chemistry and Physics. 79th ed. Boca Raton, FL: CRC
Press Inc., p. 3-233.
2.3
Density
A.
Test Substance
Identity:
C6-C8 Internal Olefins
Method
Method:
GLP:
ISO 3675
No data
Test Conditions:
No data
Results
Type:
Value:
Temperature (°C): 20°C
B.
density
ca. 700 kg/m3
Reliability:
(2) Reliable with restrictions. These data were not
reviewed for quality.
Reference:
Shell Chemicals UK Ltd. Chester (cited in IUCLID)
Test Substance
Identity:
2-Octene
Method
Method:
GLP:
No data
No data
UNEP PUBLICATIONS
235
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2. PHYSICO-CHEMICAL DATA
Test Conditions:
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
No data
Results
Type:
Value:
Temperature (°C): 20°C
density
0.7199 - 0.7243 g/cm3
Reliability:
(2) Reliable with restrictions. Reliable secondary
source. These data were not reviewed for quality.
Reference:
Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry
and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., p.
3-233.
2.4
Vapour Pressure
A.
Test Substance
Identity:
CAS No. 25377-83-7, Octene
Method
Method/
guideline followed:
Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10
GLP:
Not applicable
Year:
Test Conditions:
Results
Vapor Pressure
Value:
Temperature:
Remarks:
Vapor Pressure is calculated by the MPBPWIN subroutine,
which is based on the average result of the methods of
Antoine and Grain. Both methods use boiling point for
the calculation. The Antoine Method is described by
Lyman et al., 1990. A modified Grain Method is
described by Neely and Blau, 1985. The calculation used
an experimental value for BP of 123 °C, cited in the
EPIWIN database.
22 hPa
25°C
Reported as 16.5 mm Hg (25°C)
Reliability:
(2) Reliable with restrictions. The result is
calculated data as modeled by EPIWIN.
Flag:
Key study for SIDS endpoint
References:
Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds.
(1990) Handbook of Chemical Property Estimation. Chapter
14. Washington, D.C.: American Chemical Society.
Neely and Blau (1985) Environmental Exposure from
Chemicals, Volume 1, p. 31, CRC Press.
236
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
B.
Test Substance
Identity:
CAS No. 111-66-0,
1-Octene
Method
Method/
guideline followed:
No data
GLP:
No data
Year:
No data
2.5
A.
Test Conditions:
No data
Results
Vapor Pressure
Value:
Temperature:
Remarks:
23.2 hPa
25°C
Reported as 17.4 mm Hg (25°C)
Reliability:
(2) Reliable with restrictions. The result is
experimental data as cited in EPIWIN.
Flag:
Key study for SIDS endpoint
References:
Yaws (1994); cited in EPIWIN (2000a) Estimation Program
Interface for Windows, version 3.10. Syracuse Research
Corporation, Syracuse, NY. USA.
Partition Coefficient (log10Kow)
TEST SUBSTANCE
Identity:
CAS No. 111-66-0,
1-Octene
Method
Method:
GLP:
Year:
No data
No data
No data
Test Conditions:
No data
Results
Log Kow:
4.57
Temperature (°C ): No data
Reliability:
(2) Reliable with restrictions. The result is measured
data as cited in the EPIWIN database. These data were
not reviewed for quality.
Flag:
Key study for SIDS endpoint
UNEP PUBLICATIONS
237
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2. PHYSICO-CHEMICAL DATA
Reference:
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
Hansch, C., A. Leo and D.. Hoekman (1995) Exploring
QSAR. Hydrophobic, Electronic, and Steric constants. ACS
Professional Reference Book. Washing, DC: American
Chemical Society.
EPIWIN (2000a). Estimation Program Interface for
Windows, version 3.10. Syracuse Research Corporation,
Syracuse, NY. USA.
B.
Test Substance
Identity:
C6-C8 Internal Olefins
Method
Method:
GLP:
Year:
No data
No data
No data
Test Conditions:
No data
Results
C.
Log Kow:
3.4 – 4.6
Reliability:
(4) Not assignable. These data were not reviewed for
quality.
References:
Shell Chemicals UK Ltd. Chester, as cited in IUCLID
TEST SUBSTANCE
Identity:
CAS No. 25377-83-7, Octene
Method
Method:
GLP:
Year:
Test Conditions:
Calculated value using the computer program EPIWIN
version 3.10, subroutine KOWWIN v 1.66
Not applicable
Not applicable
Octanol / Water Partition Coefficient is calculated by
the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995). Program used the structure for 1-octene.
Results
Log Kow:
4.13
Temperature (°C ): Not applicable
Reliability:
238
(2) Reliable with restrictions. The result was
calculated based on chemical structure as modeled by
EPIWIN.
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
Reference:
2.6.1
A.
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
Meylan, W. and P. Howard (1995) Atom/fragment
contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.
EPIWIN (2000a). Estimation Program Interface for
Windows, version 3.10. Syracuse Research Corporation,
Syracuse, NY. USA.
Water Solubility (including *Dissociation Constant).
Test Substance
Identity:
CAS No. 25377-83-7, Octene
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
Calculated value using the computer program EPIWIN
3.11, subroutine WSKOW v 1.41
Not applicable
Not applicable
Water Solubility is calculated by the WSKOW
subroutine, which is based on a Kow correlation
method described by Meylan et al., 1996.
Experimental Log Kow value of 4.57 from EPIWIN
database used for calculation. Used structure for
1-octene and experimental melting point of -109°C
for correction.
Results
Value(mg/L) at
temperature ( °C):
3.65 mg/L (25°C)
Reliability:
(2) Reliable with restrictions. The result is a
calculated value.
Flag:
Key study for SIDS endpoint
References:
Meylan, W., P. Howard and R. Boethling (1996)
Improved method for estimating water solubility
from octanol/water partition coefficient. Environ.
Toxicol. Chem. 15:100-106.
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
B.
Test Substance
Identity:
CAS No. 111-66-0,
1-Octene
Method
Method/
guideline followed:
GLP:
Year:
No data
No data
No data
UNEP PUBLICATIONS
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2. PHYSICO-CHEMICAL DATA
Test Conditions:
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
No data
Results
Value (mg/L)
at temperature (°C):
4.1 mg/L (25°C)
Reliability:
(2) Reliable with restrictions. Experimental result as
cited in the EPIWIN database. These data were not
reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
Yalkowsky, S.H. and R.M. Dannenfelser (1992) AQUASOL
dATAbASE of Aqueous Solubility. Fifth ed. Tucson, AZ,
University of Arizona, College of Pharmacy
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
2.6.2 Surface tension
No data available
2.7
Flash Point (Liquids)
Test Substance
Identity:
C6-C8 Internal Olefins
Method
Method:
GLP:
ISO 2719
Test Conditions:
No data
Results
Value (°C):
Type of test:
-26 °C
Closed cup
Reliability:
(4)
Reference:
Shell Chemicals UK Ltd. Chester (cited in IUCLID)
2.8
Not assignable. These data were not reviewed for quality.
Auto Flammability (Solids/Gases)
No data available
2.9
Flammability
Test Substance
Identity:
240
C6-C8 Internal Olefins
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
Method
Method:
GLP:
No data
No data
Test Conditions:
No data
Result:
Highly flammable
Lower flammability limit:
Upper flammability limit:
0.8% in air
6.8% in air
Reliability:
(2) Reliable with restrictions. Reliable source. Data were not
evaluated for quality.
Reference:
2.10
Shell Chemical Company MSDS
Explosive Properties
No data available
2.11
Oxidising Properties
No data available
2.12
Oxidation-Reduction Potential
No data available
UNEP PUBLICATIONS
241
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
3.1
Stability
A.
Photodegradation
(1)
Test Substance
Identity:
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
CAS No. 25377-83-7, Octene
Method
Method/
guideline followed:
Other: Technical discussion
Type:
GLP:
Year:
water
Not applicable
Not applicable
Test Conditions:
Not applicable
Results
Direct photolysis:
In the environment, direct photolysis will
not significantly contribute to the degradation of
constituent chemicals in the Higher Olefins
Category.
Remarks:
The direct photolysis of an organic molecule
occurs when it absorbs sufficient light energy to
result in a structural transformation (Harris,
1982a). The reaction process is initiated when
light energy in a specific wavelength range
elevates a molecule to an electronically excited
state. However, the excited state is competitive
with various deactivation processes that can
result in the return of the molecule to a non
excited state.
The absorption of light in the ultra violet (UV)visible range, 110-750 nm, can result in the
electronic excitation of an organic molecule.
Light in this range contains energy of the same
order of magnitude as covalent bond dissociation
energies (Harris, 1982a). Higher wavelengths (e.g.
infrared) result only in vibrational and
rotational transitions, which do not tend to
produce structural changes to a molecule.
The stratospheric ozone layer prevents UV light of
less than 290 nm from reaching the earth's
surface. Therefore, only light at wavelengths
between 290 and 750 nm can result in photochemical
transformations in the environment (Harris,
1982a). Although the absorption of UV light in the
290-750 nm range is necessary, it is not always
sufficient for a chemical to undergo photochemical
degradation. Energy may be re-emitted from an
excited molecule by mechanisms other than chemical
transformation, resulting in no change to the
parent molecule.
242
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3. ENVIRONMENTAL FATE AND PATHWAYS
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
A conservative approach to estimating a
photochemical degradation rate is to assume that
degradation will occur in proportion to the amount
of light wavelengths >290 nm absorbed by the
molecule (Zepp and Cline, 1977).
Olefins with one double bond, such as the
chemicals in the Higher Olefins category, do not
absorb appreciable light energy above 290 nm. The
absorption of UV light to cause cis-trans
isomerization about the double bond of an olefin
occurs only if it is in conjugation with an
aromatic ring (Harris, 1982a).
Products in the Higher Olefins Category do not
contain component molecules that will undergo
direct photolysis. Therefore, this fate process
will not contribute to a measurable degradative
removal of chemical components in this category
from the environment.
Reliability:
Not applicable
References:
Harris J C (1982a). Rate of Aqueous
Photolysis. Chapter 8 in: W. J. Lyman, W. F.
Reehl, and D. H. Rosenblatt, eds., Handbook of
Chemical Property Estimation Methods, McGraw-Hill
Book Company, New York, USA.
Zepp, R. G. and D. M. Cline (1977). Rates of
Direct Photolysis in the Aqueous Environment,
Environ. Sci. Technol., 11:359-366.
(2)
Test Substance
Identity:
CAS No. 25377-83-7, Octene
Method
Method/
guideline followed:
Calculated values using AOPWIN version 1.90,
a subroutine of the computer program EIPWIN
version 3.10 which uses a program described by
Meylan and Howard (1993). Program used the
structure for 1-octene.
Type:
GLP:
Year:
air
Not applicable
Not applicable
Results
Indirect photolysis
Sensitiser (type):
Rate Constant:
Degradation % after:
OH
33.0041 E-12 cm3/molecule-sec
50% after 3.889 hrs (using 12-hr
avg. OH conc. of 1.5 E6 OH/cm3)
UNEP PUBLICATIONS
day and
243
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
Sensitiser (type):
Rate Constant:
Degradation % after:
of 7 E11 mol/cm3)
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
Ozone
1.2 E-17 cm3/molecule-sec
50% after 22.920 hrs (using avg. ozone conc.
Reliability:
(2) Reliable with restrictions. The value was
calculated data based on chemical structure as
modeled by EPIWIN. This robust summary has a
rating of 2 because the data are calculated and
not measured.
Flag:
Critical study for SIDS endpoint
References:
Meylan, W.M. and Howard, P.H. (1993) Computer
estimation of the atmospheric gas-phase reaction
rate of organic compounds with hydroxyl radicals
and ozone. Chemosphere 26: 2293-99
EPIWIN (2000a) Estimation Program Interface for
Windows, version 3.10. Syracuse Research
Corporation, Syracuse, NY. USA.
B.
Stability in Water
Test Substance
Identity:
CAS No. 25377-83-7, Octene
Method
Method/
guideline followed:
Type (test type):
GLP: Yes [ ] No[ ]
Year:
Other – Technical Discussion
Test Conditions:
Not applicable
Results:
Not applicable
Remarks:
Hydrolysis of an organic molecule occurs when a molecule
(R-X) reacts with water (H2O) to form a new carbonoxygen bond after the carbon-X bond is cleaved (Gould,
1959; Harris, 1982b). Mechanistically, this reaction is
referred to as a nucleophilic substitution reaction,
where X is the leaving group being replaced by the
incoming nucleophilic oxygen from the water molecule.
The leaving group, X, must be a molecule other than
carbon because for hydrolysis to occur, the R-X bond
cannot be a carbon-carbon bond. The carbon atom lacks
sufficient electronegativity to be a good leaving group
and carbon-carbon bonds are too stable (high bond
energy) to be cleaved by nucleophilic substitution.
Thus, hydrocarbons, including alkenes, are not subject
to hydrolysis (Harris, 1982b) and this fate process will
not contribute to the degradative loss of chemical
components in this category from the environment.
244
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3. ENVIRONMENTAL FATE AND PATHWAYS
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
Under strongly acidic conditions the carbon-carbon
double bond found in alkenes, such as those in the
Higher Olefins Category, will react with water by an
addition reaction mechanism (Gould, 1959). The reaction
product is an alcohol. This reaction is not considered
to be hydrolysis because the carbon-carbon linkage is
not cleaved and because the reaction is freely
reversible (Harris, 1982b). Substances that have a
potential to hydrolyze include alkyl halides, amides,
carbamates, carboxylic acid esters and lactones,
epoxides, phosphate esters, and sulfonic acid esters
(Neely, 1985).
The substances in the Higher Olefins Category are
primarily olefins that contain at least one double bond
(alkenes). The remaining chemicals are saturated
hydrocarbons (alkanes). These two groups of chemicals
contain only carbon and hydrogen. As such, their
molecular structure is not subject to the hydrolytic
mechanism discussed above. Therefore, chemicals in the
Higher Olefins Category have a very low potential to
hydrolyze, and this degradative process will not
contribute to their removal in the environment.
Conclusions:
In the environment, hydrolysis will not contribute to
the degradation of octene.
Reliability:
Not applicable
References:
Gould, E.S. (1959) Mechanism and Structure in Organic
Chemistry,
Holt, Reinhart and Winston, New York, NY, USA.
Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in:
W.J. Lyman, W.F. Reehl, and D.H. Rosenblatt, eds.,
Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.
Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G.
E. Blau, eds. Environmental Exposure from Chemicals. Vol
I., pp. 157-173. CRC Press, Boca Raton, FL, USA.
C.
Stability In Soil
No data available
3.2
Monitoring Data (Environment)
No data available.
3.3
3.3.1
A.
Transport and Distribution
Transport between environmental compartments
Test Substance
Identity:
CAS No. 25377-83-7, Octene
UNEP PUBLICATIONS
245
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3. ENVIRONMENTAL FATE AND PATHWAYS
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
Method
Type:
Fugacity models, Mackay Levels I and
III
Remarks:
Trent University model used for calculations. Half-lives in
water, soil and sediment estimated using EPIWIN (EPIWIN,
2000b)
Chemical assumptions:
Molecular weight:
Water solubility:
Vapor pressure:
Log Kow:
Melting point:
Environment name:
112
4.1 g/m3
2320 Pa (25°C)
4.57
-109°C
EQC Standard Environment
Half-life in air = 6.3 hr, half-life in water = 360 hr, halflife in soil = 360 hr, half-life in sediment = 1440 hr
All other parameters were default values. Emissions for Level
I = 1000 kg. Level III model assumed continuous 1000 kg/hr
releases to each compartment (air, water and soil).
Results
estimated
Media: Air, soil, water and sediment concentrations were
Air
Water
Soil
Sediment
Remarks:
Level I
100%
<1%
<1%
<1%
Level III
7.4%
69.2%
17.4%
5.9%
Since default assumptions for release estimates were used,
resulting environmental concentrations are not provided.
Conclusions:
These results indicated that octene will partition
primarily to air under equilibrium conditions (Level I model),
but primarily to water under the assumed pattern of chemical
release (equal loading of water, soil and air) in the Level
III model.
Reliability:
Flag:
(2) Valid with restrictions: Data are calculated.
Critical study for SIDS endpoint
References: Trent University (2004). Level I Fugacity-based Environmental
Equilibrium Partitioning Model (Version 3.00) and Level III
Fugacity-based Multimedia Environmental Model (Version
2.80.1.). Environmental Modeling Centre, Trent University,
Peterborough, Ontario. (Available at
http://www.trentu.ca/cemc)
EPIWIN (2000b). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
246
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OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
B.
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
Test Substance
Identity:
CAS No. 25377-83-7, Octene
Method
3.3.2
A.
Type:
Volatilization from water
Remarks:
Calculated using the computer program EPIWIN version
3.10, using a
Henry’s Law Constant of 0.627 atm-m3/mole (HENRYWIN
experimental database) and EPIWIN default values
Results:
Half-life from a model river: 1.082 hrs
Half-life from a model lake: 4.2 days
Reliability:
(2) Valid with restrictions. Values are
calculated.
References:
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10 Syracuse Research Corporation, Syracuse,
NY. USA.
Distribution
Test Substance
Identity:
CAS No. 25377-83-7, Octene
Method
Method:
Adsorption Coefficient (Koc) calculated value using the
computer program EPIWIN, PCKOC v 1.66, based on the
method of Meylan et al., 1992.
Test Conditions:
Based on chemical structure. Program used the structure
for 1-octene.
Results
Value:
Estimated Koc = 506.7
Reliability:
(2)
Reference:
Meylan, W., P.H. Howard and R.S. Boethling (1992)
Molecular topology/fragment contribution method for
predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7
Reliable with restrictions. Value is calculated.
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
B.
Test Substance
Identity:
CAS No. 25377-83-7, Octene
Method
UNEP PUBLICATIONS
247
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
Method:
Henry’s Law Constant calculated value using the computer
program EPIWIN, HENRYWIN v 3.10
Test Conditions:
Bond and Group estimates based on chemical structure, at
25°C; VP/water solubility estimates based on EPIWIN
values of VP = 16.5mm Hg and WS = 3.88 mg/L. Program
used the structure for 1-octene.
Results
Bond estimate = 0.632 atm-m3/mole
Group estimate = 1.07 atm-m3/mole
VP/Wsol estimate = 0.667 atm-m3/mole
Value:
3.4
A.
Reliability:
(2)
Reliable with restrictions. Values are calculated.
Reference:
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
Aerobic Biodegradation
TEST SUBSTANCE
Identity:
CAS No. 68526-54-5; Alkenes, C7-9, C8 Rich
Method
Method/guideline:
Respirometry Test
Type:
GLP:
Year:
Contact time:
Inoculum:
Test Conditions:
OECD 301F,
Ready Biodegradability, Manometric
Aerobic [X ] Anaerobic [ ]
Yes
1995
28 days
Domestic activated sludge
Activated sludge and test medium were combined prior to
test material addition. Test medium consisted of glass
distilled water and mineral salts (phosphate buffer,
ferric chloride, magnesium sulfate, and calcium
chloride).
Test vessels were 1L glass flasks placed in a waterbath
and electronically monitored for oxygen consumption.
Test material was tested in triplicate, controls and
blanks were tested in duplicate. Test material loading
was approximately 32 mg/L. [Reason for using 32 mg/L
instead of 100 mg/L: Substances such as this test
material typically have ThODs between 2 and 3 mg per mg
substance. Thus, the test material concentration was
adjusted for a target of 100 mg THOD/L] Sodium benzoate
(positive control) concentration was approximately 44
mg/L. Test temperature was 22 +/- 1 Deg C.
All test vessels were stirred constantly for 28 days
using magnetic stir bars and plates.
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3. ENVIRONMENTAL FATE AND PATHWAYS
Results:
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
Approximately 29% biodegradation of the test material
was measured on day 28. Approximately 10% biodegradation
was achieved on day 17.
By day 14, >60% biodegradation of the positive control
was measured, which meets the guideline requirement. No
excursions from the protocol were noted.
Biodegradation was based on oxygen consumption and the
theoretical oxygen demand of the test material as
calculated using results of an elemental analysis of the
test material.
Degradation
Sample
Test Material
Na Benzoate
% Degradation*
Mean %
(day 28)
44.1, 28.6, 15.0
98.9, 95.5
97.2
(day 28)
29.2
* replicate data
B.
Reliability:
(2) Reliable with restrictions: The range in
biodegradation values is not
less than 20% as required in the OECD test guideline.
Flag:
Key study for SIDS endpoint
Reference:
Exxon Biomedical Sciences, Inc. (1997) Alkenes, C7-9,
C8 Rich: Ready Biodegradability: OECD 301F Manometric
Respirometry. Study #119194A. Exxon Biomedical Sciences,
Inc., East Millstone, NJ, USA (unpublished report).
TEST SUBSTANCE
Identity:
CAS No. 111-66-0,
1-Octene
Method
Method/guideline:
Sturm, CO2
Type:
GLP:
Year:
Contact time:
Inoculum:
28-Day Ready Biodegradability, closed bottle
Aerobic [X ] Anaerobic [ ]
No
1985
28 days
Pseudomonas fluorescens
Test Conditions:
Test medium was water. No other details available.
Results:
41-42% biodegradation after 28 days
Reliability:
(4) Not assignable. The source of the report is
reliable, but details of the test conditions and results
are not available.
Reference:
Adema, D.M.M., and Bakker, G.H. (1985) (unpublished
report). [no further information is available]
UNEP PUBLICATIONS
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3. ENVIRONMENTAL FATE AND PATHWAYS
Other:
C.
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
This study was included in the dossier for 1-octene at
SIAM 11.
Test Substance
Identity:
CAS No. 25377-83-7, Octene
Method
Method/guideline:
Estimated using the
3.10, BIOWIN v 4.00
Type:
Aerobic
computer
program
EPIWIN
v
Test Conditions:
Estimates use methods described by Howard et al., 1992;
Boethling et al., 1994; and Tunkel et al., 2000.
Estimates are based upon fragment constants that were
developed
using
multiple
linear
and
non-linear
regression analyses.
Results:
Linear model prediction: Biodegrades fast
Non-linear model prediction: Biodegrades fast
Ultimate biodegradation timeframe: Weeks
Primary biodegradation timeframe: Days
MITI linear model prediction: Biodegrades fast
MITI non-linear model prediction: Biodegrades fast
Reliability:
2) Reliable with restriction:
Reference:
Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J.
Beaumann and N. Tirado (1994) Group contribution method
for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.
Results are estimated
Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M.
Meylan, A.E. Hueber, J.A. Beauman and M.E. Larosche
(1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data.
Environ. Toxicol. Chem. 11:593-603.
Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and
H. Loonen (2000) Predicting ready biodegradability in
the MITI Test. Environ. Toxicol. Chem. (accepted for
publication)
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
3.7
BOD5, COD or ratio BOD5/COD
No data available
3.6
Bioaccumulation
Test Substance
250
UNEP PUBLICATIONS
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3. ENVIRONMENTAL FATE AND PATHWAYS
Identity:
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
CAS No. 25377-83-7, Octene
Method
Method:
BCF calculated value using the computer program EPIWIN, BCF v
2.14
Test Conditions:
Based on chemical structure and a Log Kow of 4.57
(experimental data from EPIWIN database) using methods
described by Meylan et al., 1999. Formula used to make BCF
estimate: Log BCF = 0.77 log Kow – 0.70 with no correction
factor.
Results
Value:
Estimated Log BCF =
2.819 (BCF = 659)
Reliability:
(2)
Reference:
Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved
method for estimating bioconcentration / bioaccumulation
factor from octanol/water partition coefficient. Environ.
Toxicol. Chem. 18(4): 664-672
Reliable with restrictions. Value is calculated.
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse, NY.
USA.
3.7
Additional Information
A.
Sewage Treatment
Test Substance
Identity:
CAS No. 25377-83-7, Octene
Test Method:
Calculated, EPIWIN STP Fugacity Model, predicted fate in
a wastewater treatment facility.
MW = 112.22; Henry’s LC = 0.627 atm-m3/mol; airwater partition coefficient = 25.6424; Log Kow = 4.57;
biomass to water partition coefficient = 7431.51;
temperature = 25°C
No
Secondary waste water treatment (water)
Aerobic
Input values:
GLP:
Test Medium:
Test Type:
Test Results:
Reference:
99.70 % removed from wastewater treatment
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
UNEP PUBLICATIONS
251
OECD SIDS
4. ECOTOXICITY
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
4.1
Acute Toxicity to Fish
A.
Test Substance
Identity:
CAS No. 68526-54-5; Alkenes, C7-9, C8 Rich
Method
Method/guideline:
OECD 203
Test type:
Semi-static Fish Acute Toxicity Test
GLP:
Yes [X ] No [ ]
Year:
1995
Species/Strain:
Rainbow Trout (Oncorhynchus mykiss)
Analytical Monitoring: Yes
Exposure period:
96 hours
Statistical methods:
Trimmed Spearman-Karber Method (Hamilton, M.A. et
al. 1977. Trimmed Spearman-Karber Method for Estimating
Median Lethal Concentration in Toxicity Bioassays.
Environ. Sci. Technol. 11:714-719.)
Test Conditions:
Each test solution was prepared by adding the test
substance, via syringe, to 19.5 L of laboratory blend
water in 20 L glass carboys. The solutions were mixed
for 24 hours with a vortex of <10%. Mixing was performed
using a magnetic stir plate and Teflon coated stir bar
at room temperature (approximately 22C). After mixing,
the solutions were allowed to settle for one hour after
which the Water Accommodated Fraction (WAF) was siphoned
from the bottom of the mixing vessel through a siphon
that was placed in the carboy prior to adding the test
material. Test vessels were 4.0 L aspirator bottles that
contained approximately 4.5 L of test solution. Each
vessel was sealed with no headspace after 4 fish were
added. Three replicates of each test material loading
were prepared. Approximately 80% of each solution was
renewed daily from a freshly prepared WAF.
Test material loading levels included: 2.6, 4.3, 7.2,
12, and 20 mg/L, which measured 0.2, 0.4, 0.7, 1.2, and
2.5 mg/L, respectively, and are based on the mean of
samples taken from the new and old test solutions. A
control containing no test material was included and the
analytical results were below the quantitation limit,
which was 0.2 mg/L.
Water hardness was 174-178 mg/L as CaCO3. Test
temperature was 15C (sd = 0.09). Lighting was 578 to 580
Lux with a 16-hr light and 8-hr dark cycle. Dissolved
oxygen ranged from 8.5 to 10.2 mg/L for "new" solutions
and 6.5 to 8.5 mg/L for "old" solutions. The pH ranged
from 7.0 to 8.8 for "new" solutions and 7.0 to 8.4 for
"old" solutions.
Fish supplied by Thomas Fish Co. Anderson, CA, USA; age
at test initiation = approximately 5 weeks; mean wt. at
test termination = 0.272 g; mean total length at test
termination = 3.5 cm; test loading = 0.24 g of fish/L.
The fish were slightly shorter than the guideline
suggestion of 4.0 to 6.0 cm, which were purposely
selected to help maintain oxygen levels in the closed
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4. ECOTOXICITY
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ID: 25377-83-7
DATE: 28.04.2005
system. Fish size had no significant effect on study
outcome.
Results:
96-hour LL50 = 8.9 mg/L (95% CI 9.9 to 13.3 mg/L) based
upon loading rates.
96-hour LC50 = 0.87 mg/L (95% CI 0.79 to 0.96 mg/L)
based upon measured values of old and new solutions.
Analytical method used was Headspace Gas Chromatography
with Flame Ionization Detection (GC-FID).
Loading
Measured
Fish Total
Rate (mg/L) Conc. (mg/L)
Mortality (@96 hrs)*
Control
Control
0
2.6
0.2
0
4.3
0.4
0
7.2
0.7
1
12
1.2
12
20
2.5
12
* 12 fish added at test initiation
Reliability:
B.
(1) Reliable without restriction
Flag:
Key study for SIDS endpoint
References:
Exxon Biomedical Sciences, Inc. (1996) Alkenes, C7-9,
C8 Rich: Fish, Acute Toxicity Test. Study #119158. Exxon
Biomedical Sciences, Inc., East Millstone, NJ, USA
(unpublished report).
Test Substance
Identity:
CAS No. 111-67-1, 2-Octene
(trans)
Method
Method/guideline:
96 hour semi-static toxicity test
Test type:
semi-static
GLP:
No
Year:
1985
Species/Strain:
Brachydanio rerio (zebra fish)
Analytical Monitoring: No
Exposure period:
96 hr
Statistical methods:
The LL50 values were calculated by means of a
parametric model developed by Kooijman [Kooijman,
S.A.L.M. (1981) Parametric analyses of mortality rates
in bioassays. Water Res. 15:105-119.]
Test Conditions:
The test animals were 4-6 weeks old, 3 + 1 cm,
born and grown in the laboratory in fresh-water.
Necessary amounts of test material were added to 2 L
fresh water (pH ~8, hardness ~210 mg CaCO3 per liter) in
glass stoppered conical flasks and stirred for 4 hr
before adding test animals (10/ flask). Test
conditions: 24°C; no aeration, food, or replicate; test
medium renewed daily. At none of the dose levels was
test substance visible during the test period. pH and
oxygen were monitored. The target for oxygen
concentration was 70% of the saturation level. The
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4. ECOTOXICITY
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
concentrations tested: 0, 3.2, 5.6, 10, 18, 32, and 56
mg/L (nominal).
Results:
LL50
LL50
LL50
LL50
(24
(48
(72
(96
hr)
hr)
hr)
hr)
= 15 mg/L
= 13 mg/L
= 8.0 mg/L
= 7.5 mg/L
NOEC (96 hr) = 3.2 mg/L (nominal)
C.
Remarks:
Assessment of condition of test animals compared to the
controls was by visual estimation. The oxygen
concentrations of some of the test solutions were low,
but it was assumed that this did not greatly influence
the test results.
Reliability:
(2) Reliable with restrictions. Study does not totally
comply with current testing guidelines. No chemical
analyses were performed.
References:
Adema, D.M.M. and Bakker, G.H. (1985) Aquatic toxicity
of compounds that may be carried by ships
[MARPOL
1973; Annex II]. TNO report R 85/217, The Hague
(unpublished report).
Test Substance
Identity:
CAS No. 111-66-0,
1-Octene
Method
Method/guideline:
96 hour semi-static toxicity test
Test type:
semi-static
GLP:
No
Year:
1985
Species/Strain:
Brachydanio rerio (zebra fish)
Analytical Monitoring: No
Exposure period:
96 hr
Statistical methods:
The LL50 values were calculated by means of a
parametric model developed by Kooijman [Kooijman,
S.A.L.M. (1981) Parametric analyses of mortality rates
in bioassays. Water Res. 15:105-119.]
Test Conditions:
Results:
254
The test animals were 4-6 weeks old, 3 + 1 cm,
born and grown in the laboratory in fresh-water.
Necessary amounts of test material were added to 1 L
fresh water (pH ~8, hardness ~210 mg CaCO3 per liter) in
glass stoppered conical flasks and stirred for 4 hr
before adding test animals (10/ flask). Test
conditions: 24°C; no aeration, food, or replicate; test
medium renewed daily. At none of the dose levels was
test substance visible during the test period. pH and
oxygen were monitored. During the test, the oxygen
concentration was >70% of the saturation level. The
concentrations tested: 0, 3.2, 10, and 32 mg/L
(nominal).
LL50 (24 hr) = >3.2 <10 mg/L
LL50 (48 hr) = >3.2 <10 mg/L
LL50 (72 hr) = >3.2 <10 mg/L
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LL50 (96 hr) = >3.2 <10 mg/L
mg/L)
(estimated to be about 6
NOEC (96 hr) = 3.2 mg/L (nominal)
Remarks:
Assessment of condition of test animals compared to the
controls was by visual estimation.
Reliability:
(2) Reliable with restrictions. Study does not totally
comply with current testing guidelines. No chemical
analyses were performed.
References:
Adema, D.M.M. and Bakker, G.H. (1985) Aquatic toxicity
of compounds that may be carried by ships
[MARPOL
1973; Annex II]. TNO report R 85/217, The Hague
(unpublished report).
Other:
This study was included in the dossier for 1-octene at
SIAM 11. Additional information has been added.
4.2
Acute Toxicity to Aquatic Invertebrates (e.g. Daphnia)
A.
Test Substance
Identity:
CAS No. 111-67-1, 2-Octene (trans)
Method
Method/guideline:
48-hr static toxicity test
Test type:
Static
GLP:
No
Year:
1985
Analytical Monitoring: No
Species/Strain:
Daphnia magna
Exposure period:
48 hrs
Statistical methods:
The EL50 values were calculated by means of a
parametric model developed by Kooijman [Kooijman,
S.A.L.M. (1981) Parametric analyses of mortality rates
in bioassays. Water Res. 15:105-119.]
Test Conditions:
Results:
Test media were prepared by adding test material
to 500 ml of fresh water (pH ~8, hardness ~210 mg CaCO3
per liter) in a glass-stoppered conical flask and
stirring for 4 hr before adding test animals (25/
flask). Test conditions: 20 °C; no aeration, food,
replicate or media renewal. The test animals were less
than 24 hr old at the start of the test, from a
laboratory culture in standard fresh water. At none of
the dose levels was test substance visible during the
test period. pH and oxygen were monitored. During the
test, the oxygen concentration was >70% of the
saturation level. The concentrations tested: 0, 3.2, 10,
and 32 mg/L (nominal).
EL50 (48 hr) = >3.2<10 mg/L (estimated to be about 6);
NOEC (48 hr) = 3.2 mg/L (nominal)
Remarks:
Assessment of condition of test animals compared to
controls was by visual estimation.
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Reliability:
(2) Reliable with restrictions. Study does not totally
comply with current testing guidelines. No chemical
analyses were performed.
Flag:
Key study for SIDS endpoint
References:
Adema, D.M.M. and Bakker, G.H. (1985) Aquatic toxicity
of compounds that may be carried by ships
[MARPOL
1973; Annex II]. TNO report R 85/217, The Hague
(unpublished report).
Test Substance
Identity:
CAS No. 111-66-0,
1-Octene
Method
Method/guideline: 48-hr static toxicity test
Test type:
Static
GLP:
No
Year:
1985
Analytical Monitoring: No
Species/Strain:
Daphnia magna
Exposure period:
48 hrs
Statistical methods:
The EL50 values were calculated by means of a
parametric model developed by Kooijman [Kooijman,
S.A.L.M. (1981) Parametric analyses of mortality rates
in bioassays. Water Res. 15:105-119.]
Test Conditions:
Results:
Test media were prepared by adding test material
to 500 ml of fresh water (pH ~8, hardness ~210 mg CaCO3
per liter) in a glass-stoppered conical flask and
stirring for 4 hr before adding test animals (25/
flask). Test conditions: 20 °C; no aeration, food,
replicate or media renewal. The test animals were less
than 24 hr old at the start of the test, from a
laboratory culture in standard fresh water. At none of
the dose levels was test substance visible during the
test period. pH and oxygen were monitored. During the
test, the oxygen concentration was >70% of the
saturation level. The concentrations tested: 0, 1.0,
3.2, and 10 mg/L (nominal).
EL50 (48 hr) = >3.2<10 mg/L (estimated to be about 6);
NOEC (48 hr) = 3.2 mg/L (nominal)
256
Remarks:
Assessment of condition of test animals compared to
controls was by visual estimation.
Reliability:
(2) Reliable with restrictions. Study does not totally
comply with current testing guidelines. No chemical
analyses were performed.
References:
Adema, D.M.M. and Bakker, G.H. (1985) Aquatic toxicity
of compounds that may be carried by ships
[MARPOL
1973; Annex II]. TNO report R 85/217, The Hague
(unpublished report).
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Flag:
Key study for SIDS endpoint
Other:
This study was included in the dossier for 1-octene at
SIAM 11. Additional information has been added.
Toxicity to Aquatic Plants (e.g. Algae)
No data available.
4.4
Toxicity to Micro-organisms, e.g. Bacteria
Test Substance
Identity:
CAS No. 592-41-6, 1-Hexene; CAS No. 111-66-0, 1-Octene; CAS
No. 872-05-9, 1-Decene; CAS No. 1120-36-1, 1-Tetradecene
(Analytical Grade)
Method
Method
:
GLP:
Type:
Species:
Exposure Period:
Analytical Monitoring:
Acute static bioassay
No
Aquatic
Thirteen marine bacteria
16 hours
No data
Test Conditions:
Water samples collected from Cleveland and Victoria
Point on the Brisbane coast, southeastern Queensland,
Australia, were cultured on marine salts medium solidified
with 1.5% agar. Thirteen different marine bacteria were
isolated and transferred to new media. This culture was
maintained at 30°C and subcultured weekly. The test articles
were dissolved in ethanol and added to media (maximum 0.1 ml
in 50 ml). 0.1 mg of bacterial culture containing 8 x 1010
bacteria per ml was added. Each experiment was performed in
triplicate. Controls consisting of bacteria inoculated into
the medium, without test compounds, both with and without
ethanol were run simultaneously. Absorbance at 600 nm was
determined, followed by incubation without shaking at 30°C.
After 16 hours, the absorbance was remeasured and the
differences were calculated and expressed as a percentage of
the difference in absorbance of the control. These data were
then converted to Probit units and least-squares linear
regression equation against toxicant concentration was
obtained. From these regression equations, the effective
concentration of the test compound that inhibits bacterial
growth by 50 and /or 10% (EC50 and EC10, respectively) was
determined.
Results:
Only 1-hexene exerted a toxic effect [log EC10 = -0.49];
however, the calculated log EC50 was 0.46, indicating a value
>100% saturation in sea water. The other 1-alkenes were not
toxic up to levels of 100% saturation.
Reliability:
(1) Reliable without restrictions
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Reference:
Warne, M. St. J. Connell, D.W., Hawker, D. W., and G.
Schuurmann (1989) Quantitative Structure-Activity
Relationships for the Toxicity of Selected Shale Oil
Components to Mixed Marine Bacteria. Ecotoxicology and
Environmental Safety, 17: 133-148.
Other:
This study was included in the dossiers for 1-hexene and 1tetradecene at SIAM 11. Additional information has been added.
4.5
Chronic Toxicity to Aquatic Organisms
A.
Chronic Toxicity to Fish
Test Substance:
CAS No. 25377-83-7, Octene
Method/Guideline:
Type (test type): 30-day Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000b)
Species:
Fish
Test Conditions:
The program uses structure-activity relationships (SARs)
to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 4.13, which was estimated by EPIWIN using the
structure for 1-octene.
Results:
B.
Units/Value:
Estimated 30-day ChV = 150 µg/L
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is calculated
data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
Chronic Toxicity to Aquatic Invertebrates
Test Substance:
CAS No. 25377-83-7, Octene
Method/Guideline:
258
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Type (test type): 16-day EC50 value calculated using the computer program
ECOSAR, version 0.99g included in the EPI Suite
software, v 3.11 (EPIWIN, 2000b)
Species:
Daphnia magna
Test Conditions:
The program uses structure-activity relationships (SARs)
to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 4.13, which was estimated by EPIWIN using the
structure for 1-octene.
Results:
Units/Value:
Estimated 16-day EC50 = 134 µg/L
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is calculated
data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
4.6
Toxicity to Terrestrial Organisms
A.
Toxicity to Terrestrial Plants.
Test Substance:
CAS No. 25377-83-7, Octene
Method/Guideline:
Type (test type): 96-hr Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000b)
Species:
Green algae
Test Conditions:
The program uses structure-activity relationships (SARs)
to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
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value of 4.13, which was estimated by EPIWIN using the
structure for 1-octene.
Results:
B.
ChV = 249 µg/L
Units/Value:
Estimated 96-hr
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is calculated
data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
Toxicity to Soil Dwelling Organisms.
No data available
C.
Toxicity to Other Non Mammalian Terrestrial Species (including Avian)
No data available
4.7
Biological Effects Monitoring (including Biomagnification)
No data available
4.8
Biotransformation and Kinetics
No data available
4.9
Additional Information
No data available
260
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5.1
Toxicokinetics, Metabolism and Distribution
A.
Test Substance:
CAS No. 111-66-0, 1-Octene; CAS No. 14850-23-8, transn-4-Octene;
CAS No. 816-79-5, 3-Ethyl-2-Pentene (tested
individually)
Method
Test Type
GLP
Year
Non-standard
in-vitro
No data
No data
Method:
Homogenized rat liver was incubated with olefins and
metabolites were quantified using gas-liquid and thin
layer cochromatography. Various experiments were
conducted with and without NADPH and epoxide hydrolase
inhibitors.
Test Conditions:
Livers of male Sprague-Dawley rats, weighing 180-200 g
were homogenized at 4°C in 2 volumes of isotonic KCl.
For all experiments, the aliquots were equivalent to 2 g
of liver. For quantification of metabolites, the
reaction mixture was extracted with ether, the ether
layer was removed and evaporated, the residue was
dissolved in acetone and aliquots were analyzed in a
model 5000 Barber-Colman gas chromatograph equipped with
an ionization detector. With each olefin, the identities
of the epoxide and glycol metabolites were checked by
both gas-liquid and thin layer cochromatography.
Enzymatic oxidation of olefins experiments: Mixtures of
10 µmoles of olefin dissolved in ethanol, NADPH-enriched
9000 x g supernatant of 2 g liver and standard cofactors
and phosphate buffer were incubated for 60 minutes at
37°C.
Effect of epoxide hydrolase inhibitor on metabolism of
n-1-octene: 10 µmoles olefin in ethanol added to the
incubation mixture described above. The medium contained
the NADPH-generating system and the epoxide hydrolase
inhibitor ( 2 x 10-2 M 4,5-epoxy-n-octane). Incubation
time was 30 min.
Effect of the epoxide metabolite 1,2-epoxy-n-octane on
the metabolism of n-4-octene: n-4-octene was incubated
with 20 mM 1,2-epoxy-n-octane under the conditions
described.
Results:
In the presence of rat liver microsomes and NADPH, n-1octene, n-4-octene and 3-ethyl-2-pentene were converted
to the glycols with no trace of epoxide. The relative
yields of the glycols from 10 µmoles of the olefins
(11.3%, 4.0%, 0.12%) indicate that increasing
substitution of the ethylenic moiety by alkyl groups
decreases the rate of the reaction. In the presence of
4,5-epoxy-n-octane, the product from 10 µmoles n-1octene contained both 1,2-epoxy-n-octane (0.40 µmoles)
and n-octane-1,2-diol (0.23 µmoles), whereas in the
absence of the inhibitor, only the glycol (0.64 µmoles)
could be detected. Thus, the inhibition of glycol
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formation was 64%. In the presence of 1,2-epoxy-noctane, the substrate n-4-octene produced the epoxide
but not the glycol. The quantity of 4,5-epoxy-n-octane
produced was approximately equivalent to the amount of
glycol formed in the absence of the inhibitor. The
authors concluded that it is likely that the biological
conversion of the alkenes proceeds through epoxides.
Reliability:
B.
262
(1) Reliable without restrictions
Reference:
Maynert, E.W., Foreman, R.L., and Watabe, T. (1970)
Epoxides as olbigatory intermediates in the metabolism
of olefins to glycols. J. Biological Chemistry 245(20):
5324-5238.
Other:
This study was cited in the dossier for 1-octene at SIAM
11.
Test Substance:
CAS No. 111-66-0,
Method
Test Type:
GLP
Year
In vivo
No data available
1995
1-Octene
Method:
Some olefins have been shown to be metabolized to
epoxides. For example, ethylene and propylene have been
shown to be metabolized to their corresponding oxides by
the presence in animals of the corresponding hemoglobin
and DNA adducts. Absorption, distribution, elimination
and hemoglobin and DNA adduct formation were studied in
the rat after inhalation of individual C2 - C8 1-alkenes
[including 1-octene] at 300 ppm, 12 hr /day for 3
consecutive days. Concentrations of olefins were
measured in blood, lung, brain, liver, kidney and
perirenal fat immediately after each exposure and 12 h
after the third exposure.
Results:
Concentrations of olefins reached steady state levels
after the first 12 hr of exposure, and the
concentrations 12 hr after the last exposure were
generally low, except in the fat. Concentrations of 1alkenes in blood and tissues increased with increasing
number of carbon atoms. In contrast, levels of
hemoglobin and DNA adducts decreased with increasing
number of carbon atoms. The decrease was most
pronounced from C2 to C3.
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Concentrations of individual 1-alkenes after the third
daily 12 hr exposure to 300 ppm and concentrations in
fat 12 hr after the third exposure (n=4). All
concentrations are in µmol/kg; nd = not detectable
(detection limits not provided)
Chemical
Blood
Liver
Lung
Brain
Kidneys
Fat
Fat 12 hr
after 3rd
exposure
Ethene
0.3
0.4
2.3
0.7
0.7
7
nd
Propene
1.1
0.3
2.9
1.7
1.8
36
nd
1-Butene
1.9
0.8
4.9
3.0
5.7
70
0.3
1-Pentene
8.6
51.6
31.4
41.0
105.7
368
19
1-Hexene
18.2
66.8
59.7
59.7
188.0
1031
77
1-Heptene
37.0
138.3
85.6
109.3
269.3
2598
293
1-Octene
60.1
443.7
202.4
270.0
385.1
4621
943
Remarks:
Reliability:
C.
The increased retention in fat of 1-alkenes with higher
carbon numbers is presumably a function of their
increased lipophilicity, and decreased likelihood to be
exhaled unchanged, compared to the lower volatile 1alkenes. Since unchanged 1-alkenes are not considered
to be toxic, and because tissue levels rapidly cleared
after exposure ceased, this concentration, especially in
fat tissues, is unlikely to have any biological effect.
An implication of the metabolic formation of an epoxide,
as determined by hemoglobin and DNA adducts, is that
the 1-alkenes are likely to be genotoxic. However
ethylene, which formed these adducts to a much greater
extent than the higher homologs, has been specifically
investigated in lifetime animal cancer bioassays at
concentrations up to 3000 ppm, and determined to be
negative [Hamm, T.E. Jr., Guest, D, and Dent, J.G.
(1984) Fundam. Appl. Toxicol. 4(3 Pt 1):473-8]. It is
highly unlikely that the higher homologs, including 1octene, will be genotoxic or carcinogenic under these
conditions.
(1) Reliable without restrictions.
Reference:
Eide, I., R. Hagerman, K. Zahlsen, E. Tareke, M.
Tornquist, R. Kumar, P. Vodicka and K. Hemminki (1995)
Uptake, distribution, and formation of hemoglobin and
DNA adducts after inhalation of C2-C8 1-alkenes
[olefins] in the rat. Carcinogenesis. 16, 1603 - 1609.
Other:
This study was included in the dossier for 1-hexene at
SIAM 11. As the study also included 1-octene, the
summary is included in this dossier. Additional
information has been added.
Test Substance:
CAS No. 111-66-0, 1-Octene, >99%; CAS No. 124-11-8, 1Nonene,
>99%; CAS No. 872-05-9, 1-Decene, >98% (tested
individually)
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Method
Test Type
GLP
Year
Non-standard
in-vivo
No data
No data
Method:
Animals were exposed via inhalation to individual
hydrocarbons in 6 separate experiments with equal design
except for the choice of test substance. Animals were
killed by decapitation, and blood and organ samples were
obtained within 3 minutes after removal of an animal
from the chamber. Food and water were available ad
libitum except during exposure. Dynamic exposure of the
animals was performed in 0.7 m3 steel chambers.
Temperature and humidity were kept within 23±1°C and
70±20% RH, respectively. The aimed concentration of 100
ppm was maintained by mixing a controlled stream of air
saturated with the test substance under a constant
temperature and flow with the main stream of dust
filtered air (5 m3/hr) before entering at the top of the
chamber. The concentration of hydrocarbons in the
chambers was monitored by on-line gas chromatography at
15 minute intervals. The concentration of hydrocarbons
in tissues was determined by headspace gas
chromatography. Two ml of blood or organ homogenate (or
0.25 g perirenal fat tissue) was equilibrated in 15 ml
headspace vials for 1 hr at 37 or 60 °C together with
calibration samples and blanks. 0.5 ml was taken from
the headspace by prewarmed gas tight syringe and
injected into a Shimadzu GC 9A gas chromatograph (FID).
Separation was performed on a 2 m x 1/8” stainless steel
column packed with GP 10% SP-2100 on Supelcoport 100/120
mesh with nitrogen as carrier gas. In blood, the
calibration curves covered a range from 0.5 – 100
µmol/kg, in organs from 1 – 500 µmol/kg and in fat from
5 – 10000 µmol/kg. In blood and organs, the detection
limits generally were within the range from 0.1 to 1
µmol/kg; in fat from 1 to 10 µmol/kg.
Test Conditions:
Species:
Rat
Strain:
Sprague-Dawley
Sex:
Male
Age:
No data
Bodyweight:
150 – 200 g at start of each experiment
Number of Animals:
Route:
Inhalation
Dose(s) used:
100 ppm for 3 days, 12 hr/day
Statistical Methods:
Actual Dose(s):
264
4 per exposure
None reported
For the 3 days exposure period, the mean chamber
concentration was 99.3 ppm
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Body Fluids Sampled:
Blood sampled at days 1, 2, and 3, immediately
after exposure and 12 hr after exposure on day 3
Tissues Sampled:
Brain, liver, kidney, fat; sampled at days 1, 2, and 3,
immediately after exposure and 12 hr after exposure on
day 3
Results:
No systematic increase or decrease in biological
concentrations was observed during the exposure period
except for fat. With the exception for the kidney, the
concentration increased with increasing number of carbon
atoms within each structure group. The organ
concentrations generally exceeded blood by factors
ranging from 3 to 10.The C9 and C10 1-alkenes showed an
increased accumulation in fat during the 3 days exposure
period, in contrast to the C8 1-alkene, where a
saturation seemed to occur. In fat, the concentrations
of all hydrocarbons were 4-20 times the concentrations
found in other organs. The 1-alkenes demonstrated high
concentrations in fat 12 hr after exposure. After the
recovery period, these concentrations were 31, 46, and
66% for C8, C9 and C10 1-alkenes, respectively, of the
concentrations on day 3.
Concentrations of individual 1-alkenes after the third daily 12 hr
exposure to 100 ppm and after 12 hr recovery (n=4)
1-Octene
After 12
hr
recovery
After
third
exposure
After 12
hr
recovery
After
third
exposure
After 12
hr
recovery
Blood
12.4
0.1
15.9
0.4
16.4
0.7
Brain
69.7
0.5
116.3
2.7
138.1
6.3
Liver
78.9
nd
130.4
1.1
192.8
4.0
Kidney
139.3
0.9
146.7
4.6
162.0
9.3
720
226
2068
953
2986
1971
All concentrations are in µmol/kg; nd = not detectable (limit of
detection varied between substances and organs: in blood and organs
generally within range from 0.1 – 1 µmol/kg; in fat from 5 – 10 µmol/kg)
Reliability:
D.
1-Decene
After
third
exposure
Fat
a
1-Nonene
(1) Reliable without restrictions
Reference:
Zahlsen, K., I. Eide, A.M. Nilsen and O.G. Nilsen (1993)
Inhalation kinetics of C8 to C10 1-alkenes and isoalkanes in the rat after repeated exposures.
Pharmacology & Toxicology 73 :163-168
Test Substance:
Nonene;
CAS No. 592-76-7, 1-Heptene ; CAS No. 2216-38-8, 2CAS No. 592-47-2, 3-Hexene; CAS No. 16746-85-3, 4-Ethyl1-Hexene; CAS No. 15870-10-7, 2-Methyl-1-Heptene; CAS
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No. 3404-77-13, 3-dimethyl-1-hexene;
(tested individually)
3-methyl-1-octene
Method
Test Type
GLP
Year
Non-standard
in-vitro and in-vivo
No data available
Unknown
Method:
In-vitro: Incubation of hepatic microsomes from rats in
the presence of alkenes and NADPH with analysis for
presence of cytochrome P-450.
In-vivo: Phenobarbital-treated rats were injected i.p.
with 1-heptene, cis and trans 2-nonene, 4-ethyl-1hexene, and 3-methyl-1-octene at a dose of 400 µl/kg.
Four hrs after treatment, animals were sacrificed and
livers were analyzed for the presence of abnormal
hepatic pigments. These pigments have been shown to be
porphyrins derived from the prosthetic heme moiety of
inactivated P-450 enzymes.
Test Conditions:
Results:
In vitro: Hepatic microsomal cytochrome P-450 was
destroyed in vitro,
in the presence of NADPH, by 4-ethyl-1-hexene, 3-methyl1-octene, and 1-heptene. The cis- and trans-2-nonenes
exhibited marginal destructive activity (10% loss after
30 minutes). No significant cytochrome P-450 loss was
observed after incubation with 2-methyl-1-heptene, 3,3dimethyl-1-hexene or 3-hexene, suggesting that steric
and electronic factors can suppress the destructive
interaction. The epoxides of 3 of the terminal olefin
substrates were synthesized and shown not to intervene
in destruction of the enzyme by the parent olefins.
In vivo: Hepatic green pigments were formed after
administration of 4-ethyl-1-hexene, 3-methyl-1-octene
and 1-heptene, indicating destruction of the P-450
enzyme. The cis- and trans-2-nonenes produced no
abnormal pigments.
Reliability:
(1) Reliable without restrictions
Reference:
Ortiz de Montellano, P.R., and Mico, G.A. (1980)
Destruction of cytochrome P-450 by ethylene and other
olefins. Mol. Pharmacol. 18(1)128-135.
E.
Test Substance:
individually)
n-1-Octene, n-4-Octene, and 3-Ethyl-2-Pentene (tested
266
Method
Test Type
GLP
Year
Non-standard
in-vitro
No data
No data
Method:
n-1-Octene (A) , n-4-Octene (B), and 3-Ethyl-2-Pentene
(C) and the corresponding epoxides and glycols were
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studied systematically in an attempt to detect epoxide
intermediates in the biotransformation of olefins.
Test Conditions:
Results:
In the presence of rat liver microsomes and TPNH, all 3
olefins were converted to the glycols with no trace of
epoxides. Treatment of B (1.6 X 10-3M) with microsomes
and TPNH in the presence of the A-epoxide (2 X 10-2M)
yielded B-epoxide without B-glycol. In contrast, A in
the presence of B-epoxide yielded approximately equal
amounts of A-epoxide and A-glycol. C-epoxide was
ineffective in inhibiting the hydrolase. The experiment
involving A-epoxide as a blocking agent indicates that
epoxides are obligatory intermediates in the conversion
of olefins to glycols.
Reliability:
(2) Reliable with restrictions: report was an
abstract with limited data.
Reference:
Watabe, T. and E.W. Maynert (1968) Role of epoxides in
the metabolism of olefins. Pharmacologist V10(1) :203
5.2
Acute Toxicity
A.
Acute oral toxicity
(1)
Test Substance
Identity (purity):
CAS No. 68526-54-5; Alkenes, C7-9, C8 Rich
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals per
sex per dose:
NA
LD50
Pre-GLP
1975
Albino Rat
Males
Vehicle:
Route of
administration:
NA
Test Conditions:
10
Oral gavage
For the purpose of this study, the test material
was considered to be free of impurities. Age of
the test animals was not reported. Body weights
ranged from 166 to 206g at initiation of the study
and from 220 to 260g on Day 7. A single dose of
undiluted test material (5,000 mg/kg) was
administered to male rats (not fasted). Individual
body weights were recorded on Day 0 and Day 7.
Gross necropsy examinations were performed on all
animals that died or were killed. The statistics
used to analyze the data were not reported.
Results:
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Value:
Number of deaths
at each dose level:
(2)
LD50 > 5000 mg/kg
There were no deaths
Remarks:
Hypoactivity and diarrhea were noted within 6-22
hours post-oral administration and subsided by the
second post-oral exposure day. There were no
significant findings observed during the gross
necropsy examination. Under the conditions of this
study, Alkenes, C7-9, C8 Rich have a low order of
acute oral toxicity.
Reliability:
(1) Reliable without restrictions,
comparable to a guideline study
Flag:
Key study for SIDS endpoint.
References:
Exxon Research and Engineering Company (1975)
Chemical Hazard Data Sheet on Octenes and Acute
Oral Toxicity Study, Acute Dermal Toxicity Study,
Eye Irritation Toxicity Test and Acute Vapor
Inhalation Toxicity Study (unpublished report).
Test Substance
Identity (purity):
CAS No. 111-66-0,
Olefin)
1-Octene (NEODENE 8 Alpha
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals per
sex per dose:
Not specified
LD50
Yes [X ] No [ ]
1983
Rat/Fisher 344
Males and females
Vehicle:
Route of
administration:
None
Test Conditions:
5 in first test and 10 in confirmation group
oral gavage
Undiluted NEODENE 8 Alpha Olefin caused no deaths
at volumes of 1.0, 2.5, and 5 ml/kg body weight.
The confirmation dose of 5.0 ml/kg given to 10
animals (5 female, 5 male) caused no deaths.
Statistical analysis of body weights included
calculation of the mean and standard error.
Determination of the significance of body weight
changes on days 7 and 14 compared to controls was
made using an independent T-test. The lethal dose
was not calculated but was found to be greater
than 5.0 ml/kg body weight in the rat.
Results:
268
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Value:
Number of deaths
at each dose level:
B.
LD50 > 5 ml/kg; >5 g/kg
No deaths at 5 ml/kg
Remarks:
Clinical signs of toxicity occurred at the
5.0 ml/kg dose level. Test animals generally
recovered in 1 to 4 days. Prominent clinical
signs of toxicity included hunched posture,
unsteady stance, tip-toe gait, and hypoactivity.
Less prominent effects included stool with mucus
and polyruia. All remarkable observations at
necropsy are considered to be incidental findings
and not related to treatment with octene.
Observations included clear discharge from the
left eye and incomplete diaphragmatic hernia in
one animal.
Reliability:
(1) Reliable without restrictions:
Deviations were limited to environmental
conditions which did not effect the outcome or the
validity of the study.
Flag:
Key study for SIDS endpoint
References:
Shell Development Company, Westhollow Research
Center (1983) Acute Oral Toxicity of NEODENE 8
Alpha Olefin in the Rat. (unpublished report).
Other:
This study was included in the dossier for 1-octene
at SIAM 11. Additional information has been added.
ACUTE INHALATION TOXICITY
(1)
Test Substance
Identity (purity):
CAS No. 68526-54-5; Alkenes, C7-9, C8 Rich
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals
per sex:
NA
Inhalation LC50
Pre-GLP
1977
Albino Mice, Rats, and Guinea Pigs
Males
Vehicle:
Route of
administration:
None
Test Conditions:
10/species
Inhalation (vapor )
For the purpose of this study, the test material
was considered to be free of impurities. Age of
animals was not reported. Animals were given
single doses of test substance vapor at a
concentration of 31.67 mg/L (6900 ppm) for 6 h.
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The exposure was conducted in a 100-liter glass
and stainless steel chamber. The compound was
placed in a 2000 ml three-necked flask, preweighed and mounted outside the chamber. Air was
bubbled through the test material at 5 L/min and
was then combined with an additional airflow of 10
L/min to produce a total flow rate through the
chamber of 15 L/min. Control animals
(5/sex/species) were exposed to clean air at the
same flow rate as the treated group.
All animals were observed for signs of toxicity,
abnormal behavior, and mortality during the
exposure period and for 14 days after the
exposure. Necropsies were performed on all
surviving animals and any animals that died during
the exposure or post-exposure observation period.
Statistics used to evaluate data were not
reported.
Results:
Value:
LC50 > 31.7 mg/L for 6 h for rats and mice
LC50 <31.7 mg/L for 6 h for guinea pigs
Number of deaths
at each dose level:
There were no deaths in the air-exposed
animals. In the treated animals, six guinea pigs
and three rats died during the exposure period.
No mice died during the study. One guinea pig
died on Day 1 of the recovery period.
(2)
270
Remarks:
All animals showed compound awareness 1 minute
after exposure began and became increasingly
agitated during the first 35 minutes of exposure.
After 100 minutes, some animals were experiencing
tremors and convulsions. Necropsy examination
indicated dark red coloration of the lungs of 15
animals (3 rats, 4 mice, and 8 guinea pigs). Six
guinea pigs had liver discolorations. Five guinea
pigs showed pale kidney color also. One guinea pig
that died showed a large amount of blood in the
heart. Fifteen animals (7 rats, 6 mice, and 2
guinea pigs) showed no gross lesions. Under
conditions of this study, Alkenes, C7-9, C8 Rich
have a low order of acute inhalation toxicity in
rats.
Reliability:
(1) Reliable without restrictions; comparable to a
guideline study.
Flag:
Key study for SIDS endpoint
References:
Exxon Corporation. (1977) Acute Inhalation
Toxicity - Rats, mice and guinea pigs
(unpublished report).
Test Substance
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Identity (purity):
CAS No. 111-66-0, 1-octene (Ethyl
Corporation)
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex: Males
No. of animals per
sex per dose:
Not specified
LC50
Yes [ ] No [X ]
1973
Rat/Sprague-Dawley
Vehicle:
Route of
administration:
None
Test Conditions:
10
Inhalation (vapor)
Six groups of 10 male rats (200-300 g, age not
reported) each were exposed to concentrations
ranging from 28.0 – 53.6 mg/L (6,050 to 11,580 ppm)
for 4 hours. The exposure atmosphere was generated
by bubbling air through 1-octene liquid and mixing
the effluent vapor with varying amounts of air
before entering the exposure chamber.
Results:
Value:
LC50:
36.9 mg/L (nominal) (8,050 ppm) (4 hr)
Number of deaths
at each dose level:Mortality
Gp.
Gp.
Gp.
Gp.
Gp.
Gp.
Remarks:
per group at nominal concentrations:
I (28.0 mg/L) = 0/10
II (31.1 mg/L) = 2/10
III (36.0 mg/L) = 5/10
IV (40.5 mg/L ) = 6/10
V (48.4 mg/L) = 9/10
VI (53.6 mg/L) = 10/10
A preliminary one hour study at the saturated vapor
limit (87.5 mg/L nominal concentration; 19,110
ppm) caused deaths in 9 of 10 male Sprague Dawley
rats. Necrospy revealed hemorrhagic lungs, very
pale kidneys and nutmeg livers. The one surviving
animal was observed 14 days after exposure,
sacrificed and autopsied. There were no signs of
gross pathological changes 14 days after exposure.
In the main study, all deaths occurred within the
exposure period. Also during exposure, animals
exhibited labored breathing, erythema of exposed
skin, and body tremors. Surviving animals began
immediate recovery upon exposure to fresh air.
Necropsy at the end of the 14-day observation
period did not reveal any significant pathological
changes.
Reliability:
(2) Reliable with restrictions: Incomplete
reporting of experimental details including age of
animals at initiation, body weight changes and
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incidence and severity of clinical observations.
Study relied on nominal concentrations rather than
measured chamber concentrations.
C.
Flag:
Key study for SIDS endpoint
References:
Ethyl Corporation (1973) Report on the Acute
Toxicity of Alpha Olefin C8, conducted by Tulane
University School of Medicine (unpublished report).
Other:
This study was included in the dossier for 1octene at SIAM 11. Additional information has been
added.
Acute dermal toxicity
(1)
Test Substance
Identity (purity):
CAS No. 68526-54-5; Alkenes, C7-9, C8 Rich
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals
per sex per dose:
Vehicle:
Route of
administration:
Test Conditions:
NA
LD50
Pre-GLP
1975
Albino rabbits
Males and females
2
NA
Dermal
For the purpose of this study, the test material
was considered to be free of impurities. A single
dermal application of the test material was made
to two groups of four rabbits at doses of 200 and
3,160 mg/kg. The test material was applied to
abraded skin. The duration of exposure was 24
hours. Individual body weights were recorded on
Days 0, 7 and 14. Gross necropsies were performed
at the end of the experiment. Age of test animals
and the statistics used to evaluate the data were
not reported.
Results:
Value:
LD50 > 3160 mg/kg
Number of deaths
at each dose level:
No mortalities were observed at any dose
tested.
Remarks:
272
There were no mortalities at any dosage level
tested. Thus, the LD50 in albino rabbits is
greater than the highest dose tested. Signs of
erythema, mild to moderate edema and second degree
burns were observed at 24 hours at both doses. At
7 and 14 days, focal escharosis was observed at
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the low dose. At the high dose, escharosis,
fissuring, hemorrhaging, and wrinkling were
observed at 7 days and escharosis was observed at
14 days. Necropsy examination revealed emaciation
and depletion of fat stores in one male rabbit in
the low dose group. No other gross pathologic
alterations were observed. Under the conditions
of this study, Alkenes, C7-9, C8 rich have a low
order of acute dermal toxicity.
Reliability:
(2)
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
Exxon Research and Engineering Company (1975)
Chemical Hazard Data Sheet on Octenes and Acute
Oral Toxicity Study, Acute Dermal Toxicity Study,
Eye Irritation Toxicity Test and Acute Vapor
Inhalation Toxicity Study (unpublished report).
Test Substance
Identity (purity):
CAS No. 111-66-0,
Olefin)
1-Octene (NEODENE 8 Alpha
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals
per sex per dose:
Not specified
LD50
No
1983
Albino rabbits/New Zealand White
Males and females
8
Vehicle:
Route of
administration:
Test Conditions:
None
Dermal
Groups of 16 (8 M, 8 F) rabbits were dosed with 2
ml/kg undiluted
test material (NEODOL-8) under an occlusive
dressing for 24 hours. Age of animals was not
specified.
Results:
Value:
Number of deaths
at each dose level:
Remarks:
LD50 > 1.43 g/kg
No mortalities were observed.
There were no deaths or major gross pathological
changes. Mild to moderate skin irritation was
present at the site of application, after patch
removal, which became less pronounced (but not
fully reversed) over 14 days.
Original study indicated a Dermal LD50 >2 ml/kg/bw
however US EPA review prior to SIAM 11 indicated
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that the LD50 should be changed to reflect 1.43 g/kg
in a memo dated 8/14/96. As a result the LD50 for
this study was changed from > 2 ml/kg/bw to
1.43 g/kg. The only remarkable necropsy findings
were those related to the exposure site (white
crusty material on skin and fur, alopecia,
abrasions, erosion, and focal cutaneous firmness
in one animal.
Reliability:
D.
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
Shell Development Company, Westhollow
Research Center (1983) Acute Dermal Toxicity of
NEODENE 8 Alpha Olefin in the Rabbit. (unpublished
report).
Other:
This study was included in the dossier for
1-octene at SIAM 11. Additional information has
been added.
Acute toxicity, other routes
No data available
5.3
Corrosiveness/Irritation
A.
Skin Irritation/Corrosion
(1)
Test Substance:
CAS No. 111-66-0,
olefins)
pH:
(NEODENE 8 alpha
Not applicable
Method:
Test Type:
GLP:
Year:
1-Octene
OECD 404
in vivo
Yes
1992
Test Conditions
Species:
Strain:
Cell type:
Sex:
Number of animals
per sex per dose:
3 male, 3 female
Total dose:
Vehicle:
Exposure time period:
Grading scale:
0.5 ml
None
4 hrs
Draize
Method Remarks:
274
Rabbits
New Zealand White
Male and female
Neat substance was applied to shaved, intact
dorsal skin. Draize scoring was made at 4, 24, 48
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and 72 hour contact for erythema and edema.
(Further scoring was conducted at 7days)
Results:
Primary Irritation Index score 4.2 (max. 8.0).
Mean score for 24+48+72 hour was 2.28 for erythema;
maximum single score was 1.83 for edema. Effects
disappeared within 14 days.
Reliability:
Reference:
(2)
(1) Reliable without restrictions
Morris, TD, Primary skin irritation study on
rabbits of Neodene 8 alpha olefin. Report ref:
91-8385-21 from Hill Top Biolabs Inc. to Shell Oil
Company (unpublished report).
Test Substance:
CAS No. 111-66-0,
Olefin)
pH:
Not applicable
Method:
OECD 404
Test Type:
GLP:
Year:
in vivo
No
1996
1-Octene (GULFTENE 8 Alpha
Test Conditions
Species:
Strain:
Cell type:
Sex:
Number of animals
per sex per dose:
Rabbits
New Zealand White
Male and female
5 males and 1 female
Total dose:
Vehicle:
Exposure time period:
Grading scale:
Method Remarks:
0.5 ml
None
4 hr
Draize
At the start of the study, the animals weighed
2.45 to 2.70 kg and were approximately 12 to 20
weeks old. One-half ml undiluted material was
applied to the unabraded skin on the shaved backs
of 6 rabbits, under a semi-occluded dressing
(cotton gauze patch placed in position with a strip
of porous tape; trunk wrapped in an elasticated
corset [TUBIGRIP]). A contralateral area of
untreated skin was identified to serve as the
control against which the reactions of the treated
site were evaluated. Four hours after application,
the corset and patches were removed and residual
test material was removed by swabbing with cotton
wool soaked in 74% Industrial Methylated Spirits.
The control sites were similarly swabbed. Scores
were made for erythema and edema at 0.5, 24, 48, 72
and 96 hr after removal of patches, and at 7 and 14
days after initiation of exposure.
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Results:
The 4-hr exposure produced well-defined erythema
and slight to severe edema which cleared by day 7.
Other dermal reactions noted were desquamation and
crust formation which persisted to day 14, but were
considered to be reversible effects. The Draize
primary irritation index was 3.42. The mean 24-72
hr scores for erythema and edema were 1.9 and 1.1
respectively.
Reliability:
(3)
(1) Reliable without restrictions
Reference:
Driscoll, R. (1996) Acute dermal irritation
test in the rabbit with GULFTENE 8, Report
703/076. Conducted by Safepharm Laboratories Ltd.
for Chevron Chemical Company (unpublished report).
Other:
This study was included in the dossier for 1octene at SIAM 11. Additional information has been
added.
Test Substance
Identity (purity):
CAS No. 68526-54-5; Alkenes, C7-9, C8 rich
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals
per sex per dose:
NA
Dermal irritation
Pre-GLP
1975
Albino rabbits
Males and females
2
Vehicle:
Route of
administration:
Test Conditions:
NA
Dermal
A single dermal application of the test material
was made to two groups of four rabbits at doses of
200 and 3,160 mg/kg. The test material was applied
to abraded skin. The duration of exposure was 24
hours. Individual body weights were recorded on
Days 0, 7 and 14. Gross necropsies were performed
at the end of the experiment. Age of the test
animals and the statistics used to evaluate the
data were not reported.
Results:
Number of deaths
at each dose level:
Remarks:
276
No mortalities were observed at any dose
tested.
Signs of erythema, mild to moderate edema and
second degree burns were observed at 24 hours at
both doses. At 7 and 14 days, focal escharosis
was observed at the low dose. At the high dose,
escharosis, fissuring, hemorrhaging, and wrinkling
were observed at 7 days and escharosis was
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observed at 14 days. Necropsy examination
revealed emaciation and depletion of fat stores in
one male rabbit in the low dose group. No other
gross pathologic alterations were observed.
B.
Reliability:
(1) Reliable without restrictions; however,
exposure was more severe than recommended by
current testing guidelines (i.e., current
guidelines recommend exposing non-abraded skin and
exposure durations of 4 rather than 24 hours)
References:
Exxon Research and Engineering Company (1975)
Chemical Hazard Data Sheet on Octenes and Acute
Oral Toxicity Study, Acute Dermal Toxicity Study,
Eye Irritation Toxicity Test and Acute Vapor
Inhalation Toxicity Study (unpublished report).
Eye Irritation/Corrosion
(1)
Test Substance:
CAS No. 111-66-0,
olefin)
pH:
(NEODENE 8 alpha
Not applicable
Method:
Test Type:
GLP:
Year:
1-Octene
U.S. FHSA method
Yes
1983
in vivo
Test Conditions
Species:
Albino rabbits
Strain:
New Zealand White
Cell type:
Sex:
3 male and 3 female; additional 3 males washed
Number of animals
per dose:
9 (6 unwashed and 3 washed)
Dose(s) used:
Vehicle:
Observation period:
Scoring method used:
Results:
Remarks:
Reliability:
Reference:
0.1 ml
None
7 days
Draize scoring at 1, 24, 48, and 72 hours and
7 days.
Mean Draize score was 4.7 (out of 110) at 1 hour
after exposure for the washed eye animals and 0.0
at other points. Nonwashed scores were 3.0 at one
hour, 0.3 at 24 hours and 0.0 thereafter.
Washing did not reduce irritation.
(1) Reliable without restrictions
Shell Development Company, Westhollow Research
Center (1983) Eye Irritation of NEODENE 8 Alpha
Olefin in the Rabbit (unpublished report).
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Other:
(2)
This study was included in the dossier for 1octene at SIAM 11. Additional information has been
added.
Test Substance
Identity (purity):
CAS No. 68526-54-5; Alkenes, C7-9, C8 rich
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals
per dose:
Vehicle:
Route of
administration:
Not specified
Ocular irritation
Pre-GLP
1975
Albino rabbits
Males and females
Test Conditions:
The test material was administered as a single
instillation of 0.1 ml into the lower conjunctival
sac of the right eye of each animal. The upper
and lower lids were gently held together briefly
to insure adequate distribution of the test
material. The contralateral eye in each rabbit
served as the control. Throughout the study, food
and water were available at all times and animals
were housed individually. The age and weight of
the test animals were not reported Statistics
used to evaluate the data were not reported.
6
None
Ocular
The general health of each rabbit was examined for
irritation of the cornea, iris and conjunctiva at
1 and 4 hours and on days 1, 2, 3, 4 and 7.
Ocular reactions were graded according to the
Draize Standard Eye Irritation Grading Scale.
Results:
Remarks:
(3)
278
Maximum total Draize score = 4
There were no animal deaths prior to study
termination. The test material produced mild
conjunctival irritation which completely cleared
within 24 hours
Reliability:
(1) Reliable without restrictions
References:
Industrial Bio-Test Laboratories, Inc.
(1975) Eye Irritation Test - Albino Rabbits
(unpublished report).
Test Substance:
SHOP C68 Internal Olefin
Remarks:
CAS No. 25377-72-4, (Pentene=1.9%); CAS No.
25264-93-1, (Hexene=43.3%), CAS No. 25339-56-4,
(Heptene=21.7%) and 25377-83-7 (Octene=31.7%),
and CAS No. 27215-95-8 (Nonene=1.4%)
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5. TOXICITY
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DATE: 28.04.2005
Method:
OECD Section 405 and Section B5 of Directive
92/69/EEC
Test Type:
GLP:
Year:
Yes
1995
in vivo
Test Conditions
Species:
Rabbits
Strain:
New Zealand White
Cell type:
Sex:
Female
Number of animals
per dose:
3
Dose(s) used:
0.1 ml
Vehicle:
None
Observation period:
72 hrs
Scoring method used:
Draize scoring at 24, 48, and 72 hours after
treatment
Remarks:
At the start of the study, the four month
old animals supplied by Froxfield SPF Rabbits,
Hampshire, England, weighed 2.80 to 3.35 kg.
Animals had free access to a commercially
available standard pelleted rabbit diet and tap
water taken from the public supply. During the
acclimatization period, the health status of each
animal was monitored and a record kept. Each
animal was subjected to a single ocular
instillation of 0.1 ml of the test material.
Ocular reactions were assessed 1, 24, 48, and 72
hours after treatment.
Results:
Very slight or slight conjunctivitis was observed
in all animals one hour after instillation,
persisting in one animal to the 48 hour
examination. The treated eye of each animal was
overtly normal by the 72 hour examination. At hour
1, one animal had a score of 2 for redness, two
had scores of 1. At 24 hours, 1 rabbit had scores
of 1 for redness, 2 animals had scores of 0. At 48
hours, 1 animal had scores of 1 for redness, all
other scores were 0. At 72 hours, all scores were
0.
Reliability:
Reference:
(1) Reliable without restrictions
Huntington Life Sciences Ltd, (1996) SHOP
C68 Internal Olefins: Eye Irritation in the
Rabbit; Performed for Shell Chemical Co.
(unpublished report).
5.4
Skin Sensitisation
A.
Test Substance:
CAS No. 111-66-0, 1-Octene
olefin in absolute ethanol)
Method:
Buehler
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NEODENE 8 alpha
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OECD SIDS
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Test Type:
GLP:
Year:
Test Conditions
Species:
Strain:
Sex:
Number of animals
per sex per dose:
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ID: 25377-83-7
DATE: 28.04.2005
challenge
Yes
1983
Guinea pig
Duncan-Hartley albino
Males and females
5
Route of
administration:
Topical , occluded patch
Induction conc.:
1%
Induction vehicle:
Absolute ethanol
Challenge conc.: 1%
Challenge vehicle:
Absolute ethanol
Grading system used:
0 = no reaction
+/- = minimal erythema
1 = slight erythema
2 = moderate erythema
3 = moderate erythema with slight edema
4= severe eerythema with moderate edema and cracking of
skin
Method remarks:
DNCB (0.1% w/v) was used as a positive control. Test
article and controls were administered 1 day/week, 6
hr/day for 3 weeks. 48 hours prior to dose application,
animals were clipped on the back/trunk region using
animal clippers. 18-24 hours prior to dosing, the
animals were depilated with NEET lotion and rinsed with
water. The dose was applied to a 1 inch by 1 inch
gauze pad, to the anterior central portion of the
clipped area, and secured with BLENDERM surgical tape.
The animal was placed in a stainless steel wire
restrainer for 6 hours before unwrapping and removal of
any excess test materials. The challenge application
was accomplished in t he same manner, except that, at
that time, one patch was placed on the original site and
one patch placed on a virgin site immediately posterior
to the original patch. The treatment period was the
same. The irritation control group was treated only
once, on the fifth week and only one patch was applied
to these animals.
Results:
Negative for sensitization
Grades:
280
Results Remarks:
No increase in irritation over the 5 week test period.
At challenge, one test animal compared to 2 vehicle
control animals had scores of +/- to 0 at 48 hours.
Reliability:
(2) Reliable with restrictions: In the positive control
group, 24 hours before the week 2 application, the
original site resembled a large open sore. Since the
animals were to be treated again, it was decided that
they would be treated on the challenge site and that the
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OECD SIDS
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OCTENE
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DATE: 28.04.2005
patch would be covered with BLENDERM tape instead of
aluminum foil. The challenge doses were given in the
same manner as the sensitizing doses, only they were
challenged by placing treatment patch on the right side.
B.
Reference:
Shell Development Company, Westhollow Research Center
(1983) Guinea Pig Skin Sensitization of NEODENE 8 Alpha
Olefin (unpublished report).
Other:
This study was included in the dossier for 1-octene at
SIAM 11. Additional information has been added.
Test Substance:
SHOP C68 Internal Olefin
Remarks:
CAS No. 25377-72-4, (Pentene=1.9%); CAS No. 25264-93-1,
(Hexene=43.3%), CAS No. 25339-56-4, (Heptene=21.7%) and
25377-83-7 (Octene=31.7%), and CAS No. 27215-95-8
(Nonene=1.4%)
Method:
Test Type:
GLP:
Year:
OECD Guidelines, Section 406 and Section B6 of Directive
92/69/EEC
Magnusson and Kligman
Yes
1995
Test Conditions
Species:
Strain:
Sex:
Number of animals
per sex:
Albino Guinea pig
Dunkin-Hartley
Males and females
10 each in test group; 5 each in control group
Route of
administration:
Topical
Intradermal
Induction conc.:
Intradermal
Induction vehicle:
Topical
Induction conc.:
Topical
Induction vehicle:
Challenge conc.:
Challenge vehicle:
Positive control:
Grading system used:
Method remarks:
50%
Paraffin oil
100%
none
100% and 30%
Paraffin oil
none
Draize
The dorsal trunk and flanks of the 6-8 week old animals,
weighing 302-380 grams were clipped on the day prior to
dosing. Four males and four females were dosed at 0.4
ml/site at concentrations of 2.5%, 5%, 10%, 25%, and 50%
under occlusion with test material for a period of six
hours and examined and graded in accordance with the
Draize method at 24 and 48 hours after completion of
exposure.
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A Test Group of 10 male and 10 female animals was dosed
topically at 0.4 ml/site under occlusion with test
material once per week for three weeks, a total of
three induction exposures. A Positive Control Group of
6 males and 6 females was dosed with
dinitrochlorobenzene (DNCB). Doses were applied under
25-mm Hill Top Chambers®, with adhesive backs removed,
occluded with plastic wrap and overwrapped with
Elastoplast® tape. The period of exposure was six hours,
after which the bandages were removed, and the sites
wiped with disposable paper towels moistened with tepid
tap water. The test material concentration used for
induction and dosing (100% and 0.1% in acetone,
respectively) were selected based on the irritation
rangefinding phase.
Two weeks after the last induction exposure, Test Group
animals were challenge dosed by topical application of a
known essentially nonirritating concentration of the
test material to previously unexposed areas of skin for
six hours. The Positive Control Group was induced and
challenged on a similar regimen as the Test Group with
DNCB. Reactions to challenge dosing were evaluated at
approximately 24 and 48 hours after completion of each
exposure.
Results:
Grades:
Results Remarks:
Negative for sensitization
See remarks
Intradermal injection of 50% v/v SHOP C68 in paraffin
oil gave rise to isolated cases of slight or moderate
erythema and pallor; a similar administration of 50% v/v
SHOP C68 in the adjuvant resulted in slight or moderate
erythema, pallor, discoloration, eschar formation and
edema. The entire suprascapular region of five animals
was edematous.
Occluded topical induction application of SHOP C68 gave
rise to slight erythema and exfoliation.
Challenge application of test material gave rise to a
positive response (slight erythema or a more marked
reaction) in sixteen test and four control animals.
Challenge of test material in paraffin oil caused a
positive response in five test and no control animals.
Challenge application of paraffin oil alone caused a
positive response in one test and no control animals.
Re-challenge application of 50% v/v SHOP C68 in paraffin
oil caused a positive response in two test and one
control animals. Re-challenge application of paraffin
oil alone caused a positive response in one test and no
control animals.
282
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Although the incidence of significant responses was
slightly higher in test than control animals, the
difference was not considered to be sufficiently marked
to be attributed to contact sensitization. The
reactions were considered to reflect primary irritation.
It was therefore concluded that, under the conditions of
this study, repeated administration of SHOP C68 did not
cause delayed contact hypersensitivity in guinea pigs.
Reliability:
Reference:
5.5
(1) Reliable without restrictions
Huntingdon Life Sciences Ltd. (1996) SHOP Internal
Olefin: Delayed hypersensitivity study in the Guinea Pig
(Magnusson Kligman Method), Performed for Shell Chemical
Co. (unpublished report).
Repeated Dose Toxicity
Test Substance
Identity (purity):
CAS No. 111-66-0,
1-Octene
(Netherlands)
Method
Method/guideline: Not specified
Test type: Subchronic (90 day) Gavage
GLP:
No
Year:
1986
Species:
Rat
Strain:
Unknown
Route of
Administration:
Oral gavage
Duration of test:
Doses:
Sex:
Exposure period:
Frequency
of treatment:
Control group
and treatment:
90 days
0, 5, 50, or 500 mg/kg b.w./day
Males and females
7 days/week for 13 weeks
Once daily
Concurrent control
Post exposure
observation period:
None
Statistical methods:
Unknown
Test Conditions: Groups of 40 (20M, 20F) rats were gavaged with 0,
5, 50 or 500 mg/kg body weight/day for 7 days a week for 13 weeks.
No other details are available.
Results
NOAEL (NOEL):
No-toxic-effect level is between 50 and 500 mg/kg
b.w./day, and probably only slightly less than 500 mg/kg/b.w./day.
Based on data presented, the only NOEL that was determined is 50
mg/kg/day. This is due to the limitations of doses utilized in the
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study design and treatment related effects observed at 500
mg/kg/day.
LOAEL (LOEL):
500 mg/kg/day
Remarks:
Body weights, food intake, clinical signs, behavior, and
hematological parameters did not differ significantly. Gross
necropsy findings were not different. Slight changes differing from
control were only seen in the high dose group, and included
increased kidney weights and decreased plasma chloride in both
sexes, increased urinary volume and unspecified microscopic kidney
differences in male rats only, and increased plasma creatinine in
females only.
Reliability:
Flag:
(2) Reliable with restrictions. The study report
is not available for review, but was reviewed for
SIAM 11.
Key study for SIDS endpoint.
References: Til, H.P., et al. (1986) Sub-chronic (90-day) Oral
Toxicity Study with Octene-1 in Rats. Conducted by Civo
Institutes TNO, Report No. V 86.408/251091 for DSM,
Beek, the Netherlands, Project No. B 85-1091
(unpublished report).
Other:
This study was included in the dossier for 1-octene at
SIAM 11.
5.6
Genetic Toxicity in vitro
A.
Gene Mutation
(1)
Test Substance
Identity (purity):
CAS No. 68526-55-6; Alkenes, C8-10, C9 Rich
Method
Method/guideline: EPA OTS 798.5265
Type:
in-vitro bacterial reverse mutation – Ames Assay
System of testing:
bacterial
GLP:
Yes
Year:
1991
Species/Strain:
Salmonella typhimurium TA98, TA100, TA1535,
TA1537, TA1538
Metabolic activation:
With and without S9 fraction of livers from
rats pretreated with Aroclor 1254
284
Concentrations tested:
10, 32, 100, 320 and 1000 µg/plate (Doses
were based on a pre-test for toxicity)
Statistical Methods:
The mean plate count and standard deviation
for each dose point were determined. Any
test value that was equal to or greater than
three times the mean value of the concurrent
vehicle control was considered to be a
positive dose.
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DATE: 28.04.2005
Test Conditions:
For the purpose of this study, the test material
was considered to be free of impurities. DMSO was
the vehicle for controls. Ethanol was the vehicle
for the test material. Vehicle controls were
dosed at 0.1 ml/plate ethanol and 0.1 ml/plate
DMSO. The positive controls were 2Aminoanthracene, 9-Aminoacridine, 2-Nitrofluorene,
N-methyl-N-nitro-N-nitrosoguanidine. Three plates
were prepared for each dose level.
To determine the highest dose of compound to be
used in the assay, a dose range from 1 to 10,000
µg/plate was tested. Only strain TA98 was used.
The toxicity pretest was repeated and toxicity was
observed as a reduction in both background and
revertant colony counts. 1000 µg/plate was
selected as the high dose to be used on the
mutagenesis assay for both the saline (-S9) and
the +S9 treated plates.
A repeat assay was performed in order to verify
the data produced in the initial assay.
Results
Cytotoxic conc.: 1000 µ g/plate
Genotoxic effects:
Negative with and without metabolic
activation
Remarks:
The test material did not produce any evidence of
mutagenicity.
In the initial and repeat assays,
neither a positive response nor a dose related
increase in revertants was observed for any of the
tester strains either in the presence or absence
of metabolic activation. All positive and negative
controls responded in a manner consistent with
data from previous assays. Under conditions of
this assay, the test material was not mutagenic
for the Salmonella tester strains at doses up to
and including 1000 µg/plate.
Reliability:
(2)
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint.
References:
EBSI (1991) Microbial Mutagenesis in Salmonella:
Mammalian Microsome Plate Incorporation Assay
(unpublished report).
Test Substance
Identity (purity):
CAS No. 111-66-0,
Olefin)
1-Octene (NEODENE 8 Alpha
Method
Method/guideline: Ames test, with and without metabolic activation
from rat liver homogenate fraction, modification
by preincubation plate incorporation
Type:
In vitro bacterial reverse mutation – Ames Assay
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System of testing:
bacterial
GLP:
Yes
Year:
1983
Species/Strain:
Salmonella typhimurium TA98, TA100, TA1535,
TA1537, TA1538
Metabolic activation:
With and without S9 fraction of livers from
rats pretreated with Aroclor 1254
Concentrations tested: 0.45 to 1.4 x 10-4 mg/plate (Doses were
based on a pre-test for toxicity)
Statistical Methods:
Test Conditions:
None reported
Absolute ethanol was the vehicle for the test
material. DMSO was the vehicle for positive
controls. The positive controls were 2Aminoanthracene, 9-Aminoacridine, 2-Nitrofluorene,
N-methyl-N-nitro-N-nitrosoguanidine. Six glass
culture tubes were set up for each dose level of
test or control chemical, 3 without and 3 with
metabolic activation. The tubes contained 0.50 ml
phosphate buffer or S-9/cofactor mix, 0.05 ml
solvent , test or control chemical, 0.10 ml
bacterial suspension. The tubes were covered with
PARAFILM and incubated at 37o C for 20 minutes.
Soft agar supplemented with histidine and biotin
was added to each tube and the contents poured
onto Vogel-Bonner agar plates. The plates were
placed into PLEXIGLASS boxes and transferred to
37oC bacterial incubators. After a 2-day
incubation, the colonies on each plate were
counted with a Biotran II automatic colony
counter. Spontaneous reversion rate controls and
positive controls for each of the 5 strains were
run concurrently with the mutagenicity assay.
Sterility checks as well as strain
characterization checks, which included
verification of nutritional requirements and
reaction of the strains to ampicillin and crystal
violet, were also run concurrently. A repeat assay
was performed in order to verify the data produced
in the initial assay.
Results
Cytotoxic conc.: 0.45 mg/plate
Genotoxic effects:
Negative with and without metabolic
activation
Remarks:
Reliability:
Flag:
286
The concentration of the test compound
resulting in precipitation: 14 ug/plate to 0.45
mg/plate. No indication of mutagenic response in
any of the five Salmonella typhimurium strains in
presence or absence of metabolic activation
fraction.
(1) Reliable without restrictions
Key study for SIDS endpoint
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OCTENE
ID: 25377-83-7
DATE: 28.04.2005
References:
Shell Development Company, Westhollow
Research Center (1983) Assay of NEODENE-8 Alpha
Olefin for Gene Mutation in Salmonella typhymurium
(unpublished report).
Other:
This study was included in the dossier for
1-octene at SIAM 11. Additional information has
been added.
Chromosomal Aberration
(1)
Test Substance
Identity (purity):
CAS No. 111-66-0,
alpha olefin)
1-Octene
(NEODENE 8
Method
Method/guideline: Not specified
Type:
In-vitro mammalian chromosome aberration test
System of testing:
non- bacterial
GLP:
Yes
Year:
1983
Cell line:
Chinese Hamster Ovary (CHO) cells received
from the lab of T.C. Hsu, M.D. Anderson Research
Center, Houston, TX
Metabolic activation:
With and without S9 fraction. Prepared from
the livers of Sprague Dawley rats dosed with
Aroclor 1254 at 500 mg/kg body weight.
Concentrations tested: 1 ug to
10 ug/ml
Statistical Methods:
The mean and SD of the colony counts from
cultures derived from each flask were computed by
standard methods.
Test Conditions:
Ethanol (95%) was the vehicle for the test
material. Positive controls: TEM and CP. Cells
were exposed to 6 concentrations of octene in the
absence and presence of S-9. The cells were
exposed by adding a 0.15 ml aliquot of each
concentration of test chemical, positive control
chemical or solvent to glass flasks of
established cell cultures in log phase growth
which contained 15 ml of culture medium either
without or with S-9. Negative control cultures
were run concurrently. Single cultures were used
for the assay. With or without activation, cells
for analysis were collected 3, 8, and 12 hrs post
exposure, and cells were evaluated using a Coulter
ZBI electronic counter. 100 cells from each
culture at each time point were scored. A repeat
assay was performed in order to verify the data
produced in the initial assay.
Results
Cytotoxic conc.:
0.72 mg/ml (Greater than 80% decrease in mean cell
number of cells per flask as compared to solvent
control, with and without activation).
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Genotoxic effects:
Equivocal with metabolic activation and
negative without metabolic activation.
Remarks:
NO ACTIVATION: Aberration rate in mean
aberrations per cell and percent abnormal CHO
cells from exposure to NEODENE 8 alpha olefin
(collected 3, 8, and 12 hours post exposure) not
significantly higher than cells exposed to solvent
(95% ethanol). Cells collected 12 hours after
exposure to culture medium in the absence of S-9
resulted in 0.01 mean aberrations per cell and 1%
abnormal cells; those exposed to solvent resulted
in 0.06 mean aberrations per cell and 6% abnormal
cells. Exposure to TEM resulted in a response of
0.16 mean aberrations per cell and 13% of the
cells with aberrations which was significantly
higher than that of the solvent control. Cells
collected 8 hours after exposure to culture medium
in the absence of S-9 resulted in 0.07 mean
aberrations per cell and 5% abnormal cells; those
exposed to solvent resulted in 0.07 mean
aberrations per cell and 7% abnormal cells.
Cells collected at 3 hours yielded similar
results.
ACTIVATION PRESENT: At 12 hours collection time,
cells in the medium control had 0.01 mean
aberrations per cell and 1% abnormal cells, while
those in the solvent control had 0.04 mean
aberrations per cell and 4% abnormal cells. The
positive control, CP, produced a response of 0.18
mean aberrations and 14% abnormal cells,
significantly higher than that of the solvent
control. Exposure to C8 alpha olefin resulted in
> 2-fold increases (compared to solvent control)
in aberrations per cell at the 5 highest
concentrations, and in percent abnormal cells at 3
nonconsecutive concentrations: 1.8x10-3, 3.2x10-3,
and 1x10-2 mg/ml. The increases were only slightly
over 2-fold the background. Because responses
which exceeded 2-fold that of the solvent control
were obtained, cells collected at earlier time
points under the same conditions were not scored.
288
Reliability:
(2) Reliable with restrictions: Although
>15% abnormal cells were not obtained for the
positive control, as stated in protocol, the
response to TEM and CP were positive (greater than
two-fold) when compared to solvent control.
Flag:
Key study for SIDS endpoint
References:
Shell Development Company, Westhollow
Research Center (1983) In Vitro Chromosome
Aberration Assay in Chinese Hamster Cells of
NEODENE 8 Alpha Olefin (unpublished report).
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5. TOXICITY
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
Other:
(2)
This study was included in the dossier for
1-octene at SIAM 11. Additional information has
been added.
Test Substance
Identity (purity):
CAS No. 111-66-0,
1-Octene (Netherlands)
Method
Method/guideline: Not specified
Type:
In-vitro mammalian chromosome aberration test
System of testing:
non- bacterial
GLP:
Unknown
Year:
1986
Cell line:
Cultured Chinese Hamster Ovary (CHO) cells
Metabolic activation:
With and without S9
Concentrations tested: 1.33 to 40 ug/mL
Statistical Methods:
Not available
Test Conditions:
Cells were exposed for 3 hours to Ham's media,
ethanol as solvent control, mitomycin C as positive
control without activation or cyclophosphamide as
positive control with activation, or to dilutions
of test article in ethanol. Harvest times were 12
and 21 hours. No other information is available.
Results
Cytotoxic conc.:
40 ug/mL
Genotoxic effects:
Negative with and without metabolic
activation.
C.
Reliability:
(2) Reliable with restrictions. Report was
not available for review.
Flag:
Key study for SIDS endpoint
References:
Wilmer, J.W.G.M. (1986) Chromosome Analysis
of Chinese Hamster Ovary Cells Treated in Vitro
with 1-Octene. Conducted by Civo Institutes TNO,
Report No. V 86.168/251124, for DSM, Geleen, the
Netherlands, Project No. B 85-1124 (unpublished
report).
Other:
This study was included in the dossier for
1-octene at SIAM 11.
Other Genetic Effects
Test Substance
Identity (purity):
CAS No. 111-66-0,
Olefin)
1-Octene (NEODENE 8 Alpha
Method
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Method/guideline: Not specified
Type:
Morphologic Transformation Assay of BALB/c-3T3
System of testing:
Non-bacterial
GLP:
Yes
Year:
1983
Cell line:
Mouse embryo cells, BALB/c-3T3
Metabolic activation:
Yes: Adult male Fischer 344 rats dosed with
Aroclor 1254 (500 mg/kg body weight) for 5 days prior to
sacrifice.
Concentrations tested: Transformation experiment without activation: 62.5
to 16.0 ug/ml
Transformation experiment with activation: 1.0 to 0.063
mg/ml
Statistical Methods:
Test Conditions:
No data
Exponentially growing BALB/c-3T3 cells were harvested by
trypsinization and were suspended at concentrations of
200-250 cells/ml in growth medium. After adding 2.0-2.5
ml of medium to a 25 cm2 flask, 1.0 ml of the cell
suspension was added to each of 3 flasks used per
concentration of test material and 6 flasks each for the
media, acetone and positive control. The dishes were
incubated at 37 0 C for 18-24 hours.
Dosing in absence of S-9 activation: After the initial
incubation period, the medium was removed and replaced
with 2.0 ml fresh medium. A solution of each
concentration of test chemical was made by diluting a
200x concentration by a factor of 66.7 using growth
medium. For dosing, 1.0 ml if this solution was mixed
with 2.0 ml of medium. The cells were then incubated
for 3 days at 37 0 C in the presence of the test
chemical.
Dosing in presence of S-9 activation: After the initial
incubation period, the medium was removed and replaced
with 2.0 ml fresh medium.
To a separate tube the
following components were added 1) 1.0 ml S-9 liver
microsomes adjusted with medium to contain 10x the
quantity of protein required for optimal activation of
the positive control chemical; 2) 1.0 ml of a solution
containing 2.36 mg/ml NADP and 15.52 mg/ml isocitrate
adjusted to pH 7.2; 3) 1.0 ml solution made by diluting
a 200x concentration of test chemical in ethanol by a
factor of 20 with medium; 4) 0.33 ml of medium. The
contents of the tube were mixed and added to the 2.0 ml
of medium in the dish for 4 hours at 37 0 C.
The negative controls (15 ul ethanol) and the positive
control (MNNG in the absence of S-9 or DMN in the
presence of S-9) were used at doses previously found to
exhibit activity in the assay.
TOXICITY ASSAY: After 7-8 days, when colonies had
developed sufficiently, the growth medium was removed
from the flasks, the flasks washed with Hank’s Balanced
Salt Solution, the cells fixed with 95% methanol for 30
min and stained with Giemsa. The flasks were air dried
and the colonies counted by hand.
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TRANSFORMATION ASSAY: After exposure to the test
chemical for 3 days in the absence of S-9 and 4 hours in
the presence of S-9, the cells were washed with Hank’s
Balanced Salt Solution, refed with growth medium and
incubated at 370 C for approximately 4 weeks. Upon
termination of the assay, the plates were washed with
Hank’s Balanced Salt Solution, fixed in 95% methanol,
and stained with Giesma.
SCORING OF THE TRANSFORMED FOCI: At the end of the 4week incubation period, cultures of normal cells yielded
a uniformly stained monolayer of round, closely packed
cells. Transformed cells formed a dense mass that
stained deeply and was superimposed on the surrounding
monolayer of normal cells. The foci were variable in
size. Foci that had any of these characteristics
(random criss-cross orientation, more rounded cells with
necrosis at the center or without the necrotic center
and large numbers of cells which exhibited criss-cross
pattern of overlapping cells throughout the majority of
the colony) and exceeded 2 mm in diameter were scored
+++, while those less than 2 mm in diameter were
designated ++.
Results:
Cytotoxic conc.:
Without activation: ≥ 23.2 ug/ml
With activation: No dose related reductions in cell
survival were observed at concentrations of test
material as high as 4000 ug/ml. Its transforming
activity was tested over the concentration range of 1.0
to 0.063 mg/ml.
Genotoxic effects:
Negative
Remarks:
No evidence of test material induction of statistically
significant increases in transformation frequencies were
observed. Test material was considered to be inactive as
a BALB/c-3T3 transforming agent in the absence and
presence of exogenous metabolic activation.
Reliability:
(2) Reliable with restrictions: Test material and
positive control chemicals were handled under ambient
room light, rather than under yellow light; negative
control treatments included the use of culture medium
rather than distilled water; MNNG was not used at the
positive control in the nonactivated preliminary
cytotoxicity test; doses of test material used in the
activation study did not include the range of toxicity
described in protocol; number of tissue culture vessels
used for experimental conditions equaled or exceeded the
numbers stipulated in the protocol. In the opinion of
the study director, these deviations had no effect on
the validity of the data and interpretations.
References:
Shell Development Company, Westhollow Research Center
(1983) Cell Transformation Assay of NEODENE-8 Alpha
Olefin in the Absence and Presence of Microsomal
Activation. Performed at Litton Bionetics, Inc.,
(unpublished report).
UNEP PUBLICATIONS
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OECD SIDS
5. TOXICITY
Other:
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
This study was included in the dossier for 1-octene at
SIAM 11.
5.7
Genetic Toxicity in vivo
A.
Test Substance
Identity (purity):
CAS No. 68526-53-4; Alkenes, C6-8, C7 Rich
Method
Method/guideline: EPA OTS 798.5395
Type:
Micronucleus Assay
GLP:
Yes
Year:
1993
Species:
Mouse
Strain:
B6C3F1
Sex:
Male and female
Route of
Administration:
Oral gavage
Concentration levels:
1.25, 2.5, and 5 g/kg. Concentrations were based
on the results of a range-finding study.
Exposure period: Single dose
Statistical methods:
Analysis of variance (ANOVA), Duncan's Multiple
Range Test. Sexes were analyzed separately.
Test Conditions:
For the purpose of this study, the test material was
considered to be free of impurities. The test material
and the carrier (corn oil) were administered by oral
gavage as single doses to 15 mice/sex/dose (not fasted).
The positive control, cyclophosphamide, was also
administered by oral gavage as a single dose of 40
mg/kg. The dosing volume was the same as that of the
test material. The test animals were approximately 7 to
9 weeks of age and weighed between 19 and 28 g at the
start of the study. Animals from the appropriate groups
(5 animals/sex/group) were sacrificed by carbon dioxide
asphyxiation at appropriately 24, 48 and 72 hours after
dose administration. Animals dosed with
cyclophosphamide were sacrificed at 24 hours only.
Immediately upon sacrifice, the bone marrow was removed
from both femurs of each animal, resuspended in fetal
bovine serum, and prepared for microscopy. Samples were
blindly coded and stained with acridine orange. 1000
polychromatic erythrocytes (PCE) from each animal were
examined for micronuclei, and the ratio of PCE's to
NCE's (normochromatic erythrocytes) was determined for
each animal by counting 1000 erythrocytes (PCE's and
NCE's).
Results
Effect on
PCE/NCE ratio:
Genotoxic effects:
292
None
Under the conditions of this study, the test
sample is not considered to be mutagenic at doses
up to and including 5.0 g/kg.
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
NOEL:
5.0
Remarks:
There was no statistically significant increase in the
mean number of micronucleated polychromatic
erythrocytes, indicating that the test material was not
clastogenic. The positive control induced a
statistically significant increase in the mean number of
micronucleated polychromatic erythrocytes, which
indicates that the positive control is clastogenic. The
test material did not induce a statistically significant
increase in the mean number of micronucleated
polychromatic erythrocytes. In addition, the test
material did not induce a significant decrease in the
mean percent of polychromatic erythrocytes, which is a
measure of bone marrow toxicity.
Reliability:
B.
g/kg
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
Exxon Chemical Company (1993) In vivo Mammalian Bone
Marrow Micronucleus Assay: Oral Gavage Method
(unpublished report).
Test Substance
Identity (purity):
CAS No. 68526-55-6; Alkenes, C8-10, C9 Rich
Method
Method/guideline: EPA OTS 798.5395
Type:
Micronucleus Assay
GLP:
Yes
Year:
1991
Species:
Mouse
Strain:
B6C3F1
Sex:
Male and female
Route of
Administration:
Oral gavage
Concentration levels:
1.25, 2.5, and 5 g/kg. Concentrations were based
on the results of a range-finding study.
Exposure period: Single dose
Statistical methods:
Analysis of variance (ANOVA), Duncan's Multiple
Range Test; sexes were analyzed separately
Test Conditions:
For the purpose of this study, the test material was
considered to be free of impurities. The test animals
were approximately 8 to 9 weeks of age and weighed
between 21 and 29 g at the start of the study. The test
material and the carrier (corn oil) were administered by
oral gavage as single doses to 15 mice/sex/dose (not
fasted). The positive control, cyclophosphamide, was
administered by intraperitoneal injection as a single
dose of 40 mg/kg in reagent grade water at the same
volume as the test material. Animals from the
appropriate groups (5 animals/sex/group) were sacrificed
by carbon dioxide asphyxiation at appropriately 24, 48
and 72 hours after dose administration. Animals dosed
with cyclophosphamide were sacrificed at 24 hours only.
Immediately upon sacrifice, the bone marrow was removed
UNEP PUBLICATIONS
293
OECD SIDS
5. TOXICITY
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
from both femurs of each animal, resuspended in fetal
bovine serum, and prepared for microscopy. Samples
were blindly coded and stained with acridine orange.
1000 polychromatic erythrocytes (PCE) from each animal
were examined for micronuclei, and the ratio of PCE's to
NCE's (normochromatic erythrocytes) was determined for
each animal by counting 1000 erythrocytes (PCE's and
NCE's)
Results
Effect on
PCE/NCE ratio:
The test material induced a significant decrease in
polychromatic erythrocytes in both males and females at
48 and 72 hours when treated with the high dose (5.0
g/kg). In addition, the mean percent of PCE's for the
5.0 g/kg dose group for both sexes at 48 and 72 hours
were statistically different from the carrier controls.
The mean percent of PCE's for the female 2.5 g/kg dose
group at 48 hours was also statistically different from
the carrier control.
Genotoxic effects:
NOEL:
5.0
Remarks:
There was no statistically significant increase in the
mean number of micronucleated polychromatic
erythrocytes. Thus, the test material was not
clastogenic. The positive control induced a
statistically significant increase in the mean number of
micronucleated polychromatic erythrocytes, which
indicates that the positive control responded
appropriately and is clastogenic.
These observations
indicate that the test material was toxic to mouse bone
marrow at higher concentrations, but did not induce
micronuclei formation. Under conditions of this assay,
the test material is not considered clastogenic in mice
up to and including 5.0 g/kg when evaluated up to 72
hours after dose administration.
Reliability:
5.8
Negative.
g/kg
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
Exxon Biomedical Sciences, Inc. (1991) In vivo
Mammalian Bone Marrow Micronucleus Assay: Oral Gavage
Method (unpublished report).
Carcinogenicity
No data available
5.9
Reproductive Toxicity (including Fertility and Developmental Toxicity).
A.
Fertility
No data available
294
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
B.
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
Developmental Toxicity
No data available
5.10
Other Relevant Information
Aspiration
Test Substance
Identity:
C6-C18 even numbered alpha olefins
Method
Type:
Species:
Strain:
Sex:
Route of
Administration:
Dose:
aspiration
0.2 mL
Results:
See Remarks
Remarks:
C6-C18 alkenes (even carbon numbers, alpha olefins), source
and purity unspecified, were assessed for aspiration hazard in
an animal study using Wistar rats. Four or five males were
used per test article. Two-tenths mL of the test material was
placed in the mouths of rats that had been anesthetized to the
point of apnea in a covered wide mouth gallon jar containing
about 1 inch of wood shavings moistened with approximately 1
ounce of anhydrous diethyl ether.
As the animals began to
breathe again, the nostrils were held until the test material
had been aspirated or the animal regained consciousness. All
alkenes tested except 1- hexene were aspirated into the lungs.
1-Hexene was difficult to dose because of its volatility. Two
animals survived because the hydrocarbon “boiled” out of the
mouth before it was aspirated. All animals exposed to C8 to C14
died within 24 hours. With C16 and C18, there was only one
death (C18). Lung weights were increased in alkenes-treated
animals compared with controls. The affected animals showed
chemical pneumonitis. The report concluded that there is a
significant aspiration hazard with C6 to C14 alkenes.
Reference:
Gerarde, H.W. (1963) Toxicological Studies on
Archives of Environmental Health 6:329-341.
Other:
This study was included in the dossier for 1-octene at SIAM
11.
5.11
General toxicity – aspiration
Rat
Wistar
Male
Hydrocarbons.
Experience with Human Exposure
No data available
UNEP PUBLICATIONS
295
OECD SIDS
6. REFERENCES
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
Adema, D.M.M. and Bakker, G.H. (1985) Aquatic toxicity of compounds that may be
carried by ships [MARPOL 1973; Annex II]. TNO report R 85/217, The Hague
(unpublished report).
Adema, D.M.M., and Bakker,
information is available]
G.H.
(1985)
(unpublished
report).
[no
further
American Chemistry Council’s Higher Olefins Panel (2002) Personal communication.
Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J. Beaumann and N. Tirado
(1994) Group contribution method for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.
Driscoll, R. (1996) Acute dermal irritation test in the rabbit with GULFTENE 8,
Report 703/076. Conducted by Safepharm Laboratories Ltd. for Chevron Chemical
Company (unpublished report).
EBSI (1991) Microbial Mutagenesis in Salmonella:
Incorporation Assay (unpublished report).
Mammalian
Microsome
Plate
Eide, I., R. Hagerman, K. Zahlsen, E. Tareke, M. Tornquist, R. Kumar, P. Vodicka
and K. Hemminki (1995) Uptake, distribution, and formation of hemoglobin and DNA
adducts
after
inhalation
of
C2-C8
1-alkenes
[olefins]
in
the
rat.
Carcinogenesis. 16, 1603 - 1609.
EPIWIN (2000a) Estimation Program Interface for Windows, version 3.10. Syracuse
Research Corporation, Syracuse, NY. USA.
EPIWIN (2000b). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
Ethyl Corporation (1973) Report on the Acute Toxicity of Alpha Olefin
conducted by Tulane University School of Medicine (unpublished report).
Exxon Biomedical Sciences, Inc.
(1991) In vivo Mammalian
Micronucleus Assay: Oral Gavage Method (unpublished report).
Bone
C8,
Marrow
Exxon Biomedical Sciences, Inc. (1996)
Alkenes, C7-9, C8 Rich: Fish, Acute
Toxicity Test. Study #119158. Exxon Biomedical Sciences, Inc., East Millstone,
NJ, USA (unpublished report).
Exxon Biomedical Sciences, Inc. (1997)
Alkenes, C7-9, C8 Rich:
Biodegradability: OECD 301F Manometric Respirometry. Study #119194A.
Biomedical Sciences, Inc., East Millstone, NJ, USA (unpublished report)
Ready
Exxon
Exxon Chemical Company (1993) In vivo Mammalian Bone Marrow Micronucleus Assay:
Oral Gavage Method (unpublished report).
Exxon Corporation. (1977) Acute Inhalation Toxicity
pigs (unpublished report).
-
Rats, mice and guinea
Exxon Research and Engineering Company (1975)
Chemical Hazard Data Sheet on
Octenes and Acute Oral Toxicity Study, Acute Dermal Toxicity Study, Eye
Irritation Toxicity Test and Acute Vapor Inhalation Toxicity Study (unpublished
report).
Gerarde, H.W. (1963) Toxicological
Environmental Health 6:329-341.
Studies
on
Hydrocarbons.
Gould, E.S. (1959) Mechanism and Structure in Organic Chemistry,
and Winston, New York, NY, USA.
296
UNEP PUBLICATIONS
Archives
of
Holt, Reinhart
OECD SIDS
6. REFERENCES
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
Hansch, C., A. Leo and D. Hoekman (1995) Exploring QSAR. Hydrophobic,
Electronic, and Steric constants. ACS Professional Reference Book. Washing, DC:
American Chemical Society.
Harris J C (1982a). Rate of Aqueous Photolysis. Chapter 8 in: W. J. Lyman, W. F.
Reehl, and D. H. Rosenblatt, eds., Handbook of Chemical Property Estimation
Methods, McGraw-Hill Book Company, New York, USA
Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in: W.J. Lyman, W.F. Reehl,
and D.H. Rosenblatt, eds., Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.
Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M. Meylan, A.E. Hueber, J.A.
Beauman and M.E. Larosche (1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data. Environ. Toxicol. Chem.
11:593-603.
Huntingdon
Life
Sciences
Ltd.
(1996)
SHOP
Internal
Olefin:
Delayed
hypersensitivity study in the Guinea Pig (Magnusson Kligman Method), Performed
for Shell Chemical Co. (unpublished report).
Huntington Life Sciences Ltd, (1996) SHOP C68 Internal Olefins: Eye Irritation
in the Rabbit; Performed for Shell Chemical Co. (unpublished report).
Industrial Bio-Test Laboratories,
Rabbits (unpublished report).
Inc.
(1975)
Eye
Irritation
Test
-
Albino
Joback, K.G. 1982. A Unified Approach to Physical Property Estimation Using
Multivariate Statistical Techniques.
In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E. Poling, Eds.
Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry and Physics. 79th ed. Boca
Raton, FL: CRC Press Inc., p. 3-233.
Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds. (1990) Handbook of Chemical
Property Estimation. Chapter 14. Washington, D.C.: American Chemical Society.
Maynert, E.W., Foreman, R.L., and Watabe, T. (1970) Epoxides as olbigatory
intermediates in the metabolism of olefins to glycols. J. Biological Chemistry
245(20): 5324-5238.
Meylan, W. and P. Howard (1995) Atom/fragment contribution method for estimating
octanol-water partition coefficients. J. Pharm. Sci. 84:83-92.
Meylan, W., P.H. Howard and R.S. Boethling (1992) Molecular topology/fragment
contribution method for predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7
Meylan, W.M. and Howard, P.H.
(1993)
Computer estimation of the atmospheric
gas-phase reaction rate of organic compounds with hydroxyl radicals and ozone.
Chemosphere 26: 2293-99
Meylan, W., P. Howard and R. Boethling (1996) Improved method for estimating
water solubility from octanol/water partition coefficient. Environ. Toxicol.
Chem. 15:100-106.
Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved method for estimating
bioconcentration
/
bioaccumulation
factor
from
octanol/water
partition
coefficient. Environ. Toxicol. Chem. 18(4): 664-672
Morris, TD, Primary skin irritation study on rabbits of Neodene 8 alpha olefin.
Report ref: 91-8385-21 from Hill Top Biolabs Inc. to Shell Oil Company
(unpublished report).
UNEP PUBLICATIONS
297
OECD SIDS
6. REFERENCES
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
Neely and Blau (1985) Environmental Exposure from Chemicals, Volume 1, p. 31,
CRC Press.
Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G. E. Blau, eds.
Environmental Exposure from Chemicals. Vol I., pp. 157-173. CRC Press, Boca
Raton, FL, USA.
NLM (2003a). CCRIS (Chemical Carcinogenesis Research Info System). U.S. National
Library of Medicine, Specialized Information Services, National Institutes of
Health,
Department
of
Health
and
Human
Services.
September
2003
(http://toxnet.nlm.nih.gov).
NLM
(2003b). Household Products Database. U.S. National Library of Medicine,
Specialized Information Services, National Institutes of Health, Department of
Health and Human Services. September, 2003. (http://toxnet.nlm.nih.gov).
NLM (2003c). TRI (Toxic Release Inventory). U.S. National Library of Medicine,
Specialized Information Services, National Institutes of Health, Department of
Health and Human Services. September 2003 (http://toxnet.nlm.nih.gov).
Ortiz de Montellano PR and Mico GA (1980). Destruction of cytochrome P-450 by
ethylene and other olefins. Mol. Pharmacol. 18 (1)128-135.
Shell Chemical Company MSDS
Shell Chemicals UK Ltd. Chester (cited in IUCLID)
Shell Development Company, Westhollow Research Center (1983)
Sensitization of NEODENE 8 Alpha Olefin (unpublished report).
Guinea Pig Skin
Shell Development Company, Westhollow Research Center
(1983)
In Vitro
Chromosome Aberration Assay in Chinese Hamster Cells of NEODENE 8 Alpha Olefin
(unpublished report).
Shell Development Company, Westhollow Research Center (1983)
NEODENE 8 Alpha Olefin in the Rabbit (unpublished report).
Eye Irritation of
Shell Development Company, Westhollow Research Center (1983) Acute Oral Toxicity
of NEODENE 8 Alpha Olefin in the Rat. (unpublished report).
Shell Development Company, Westhollow Research Center (1983) Acute
Toxicity of NEODENE 8 Alpha Olefin in the Rabbit. (unpublished report).
Dermal
Shell Development Company, Westhollow Research Center (1983) Assay of NEODENE-8
Alpha Olefin for Gene Mutation in Salmonella typhymurium (unpublished report).
Shell Development Company, Westhollow Research Center (1983) Cell Transformation
Assay of NEODENE-8 Alpha Olefin in the Absence and Presence of Microsomal
Activation. Performed at Litton Bionetics, Inc., (unpublished report).
Stein, S. and R. Brown (1994) Estimation of normal boiling points from group
contributions (1994) J. Chem. Inf. Comput. Sci. 34: 581-587.
Til, H.P., et al. (1986) Sub-chronic (90-day) Oral Toxicity Study with Octene-1
in Rats. Conducted by Civo Institutes TNO, Report No. V 86.408/251091 for DSM,
Beek, the Netherlands, Project No. B 85-1091 (unpublished report).
Trent University (2004). Level I Fugacity-based Environmental Equilibrium
Partitioning Model (Version 3.00) and Level III Fugacity-based Multimedia
Environmental Model (Version 2.80.1.). Environmental Modeling Centre, Trent
University, Peterborough, Ontario. (Available at http://www.trentu.ca/cemc)
Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and H. Loonen (2000)
Predicting ready biodegradability in the MITI Test. Environ. Toxicol. Chem.
(accepted for publication)
298
UNEP PUBLICATIONS
OECD SIDS
6. REFERENCES
OCTENE
ID: 25377-83-7
DATE: 28.04.2005
Warne, M. St. J. Connell, D.W., Hawker, D. W., and G. Schuurmann (1989)
Quantitative Structure-Activity Relationships for the Toxicity of Selected Shale
Oil Components to Mixed Marine Bacteria.
Ecotoxicology and Environmental
Safety, 17: 133-148.
Wilmer, J.W.G.M. (1986) Chromosome Analysis of Chinese Hamster Ovary Cells
Treated in Vitro with 1-Octene. Conducted by Civo Institutes TNO, Report No. V
86.168/251124, for DSM, Geleen, the Netherlands, Project No. B 85-1124
(Unpublished report).
Yalkowsky, S.H. and R.M. Dannenfelser (1992) AQUASOL dATAbASE of Aqueous
Solubility. Fifth ed. Tucson, AZ, University of Arizona, College of Pharmacy
Yaws, D.L. (1994) Cited in: EPIWIN (2000) Estimation Program Interface for
Windows, version 3.10. Syracuse Research Corporation, Syracuse, NY. USA.
Zahlsen, K., I. Eide, A.M. Nilsen and O.G. Nilsen (1993) Inhalation kinetics of
C8 to C10 1-alkenes and iso-alkanes in the rat after repeated exposures.
Pharmacology & Toxicology 73 :163-168
Zepp, R. G. and D. M. Cline (1977). Rates of Direct Photolysis in the Aqueous
Environment, Environ. Sci. Technol., 11:359-366.
UNEP PUBLICATIONS
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OECD SIDS
NONENE
SIDS DOSSIER
ON THE HPV CHEMICAL
NONENE
CAS No.: 27215-95-8
Contains Robust Summaries for the Following Substances:
CAS No. 27215-95-8, Nonene
CAS No. 124-11-8, 1-Nonene
CAS No. 68526-54-5, Alkenes, C7-9, C8 Rich
CAS No. 68526-55-6; Alkenes, C8-10, C9 Rich
CAS No. 68526-56-7; Alkenes, C9-11, C10 Rich
Sponsor Country: USA
Date of submission to OECD:
300
April 28, 2005
UNEP PUBLICATIONS
OECD SIDS
1. GENERAL INFORMATION
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Substance Information
A.
CAS Number:
27215-95-8
B.
Name (OECD):
Nonene
C.
Name (IUPAC):
Nonene
D.
CAS Descriptor:
Not applicable
E.
EINECS Number:
248-339-5
F.
Molecular Formula:
G.
Structural Formula:
Various linear or branched isomers with internal
double bonds with the basic structure of CH3-CH=CH(CH2)5-CH3
C9 H18
Sponsor Country:
United States of America
Lead Organisation:
Name of Lead Organisation:
Contact person:
Address:
• Street:
• Postal code:
• Town:
• Country:
• Tel:
United States of America Environmental
Protection Agency
Mr. Oscar Hernandez, Director
U.S. Environmental Protection Agency
Risk Assessment Division (7403 M)
1200 Pennsylvania Avenue, NW
20460
Washington, D.C. 20460
United States of America
(202) 564-7461
Name of Responder (Industry Consortium):
Name:
Contact:
Address:
• Street:
• Postal code:
• Town:
• Country:
• Tel:
• Fax:
American Chemistry Council (Higher Olefins Panel)
Mr. W. D. Anderson, Higher Olefins Panel Manager
1300 Wilson Boulevard
22209
Arlington, VA
United States of America
(703)741-5616
(703) 741-6091
Details on Chemical Category
This profile includes an evaluation of SIDS-level testing data, using a category
approach, with six individual internal olefins (C6 – C10 and C12), a C10 – 13
internal olefins blend and two linear alpha olefins (1-hexadecene and 1octadecene), all of which are monoolefins. The internal olefins are
predominantly linear, but may contain small amounts of branched materials. For
the purposes of the ICCA HPV Program, the category was defined as “Higher
Olefins.” The category designation was based on the belief that, within the C6
to C18 boundaries identified, internalizing the location of the carbon-carbon
UNEP PUBLICATIONS
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OECD SIDS
1. GENERAL INFORMATION
NONENE
ID: 27215-95-8
DATE: 28.04.2005
double bond, increasing the length of the carbon chain, and/or changing the
carbon skeleton’s structure from linear to branched does not change the toxicity
profile, or changes the profile in a consistent pattern from lower to higher
carbon numbers. This expectation is supported by a large amount of existing data
for alpha and internal olefins with carbon numbers ranging from C6 to C24. The
members of the category are:
Hexene
Heptene
Octene
Nonene
Decene
Dodecene
Alkenes, C10-C13
1-Hexadecene
1-Octadecene
CAS # 25264-93-1
CAS # 25339-56-4
CAS # 25377-83-7
CAS # 27215-95-8
CAS # 25339-53-1
CAS # 25378-22-7
CAS# 85535-87-1
CAS # 629-73-2
CAS # 112-88-9
1.1
General Substance Information
A.
Type of Substance
Element [ ]; Inorganic [ ]; Natural substance [ ]; Organic [X ];
Organometallic [ ];
Petroleum product [ ]
B.
Physical State (at 20°C and 1.013 hPa)
Gaseous [ ]; Liquid [X ]; Solid [ ]
C.
Purity:
No data available
1.2
Impurities
No data available
1.3
Additives
None
1.4 Synonyms
Some synonyms are:
1.5
Quantity
Remarks:
302
Nonene (mixed isomers)
Propylene trimer
Nonenes
Tripropylene
A Chemical Economics Handbook marketing report indicated that 2000
global production for nonene was approximately 1037 million pounds
(470,000 metric tons) with the United States accounting for almost
56% (SRI, 2001). U.S. production volume for nonene in 2002 provided
by the members of the American Chemistry Council’s Higher Olefins
Panel was 100-200 million pounds.
UNEP PUBLICATIONS
OECD SIDS
1. GENERAL INFORMATION
Reference:
NONENE
ID: 27215-95-8
DATE: 28.04.2005
American Chemistry Council’s Higher Olefins Panel (2002)
1.6
Use Pattern
A.
General Use Pattern
Type of Use:
Category:
(a) Main
Industrial
synthesis
Use
Use in closed systems
Chemical industry – chemicals used in
Remarks:
Intermediate in the manufacture of
plasticizer alcohols and surfactants
(b)
Main
Industrial
Non-dispersive use
Chemical industry – chemicals used in
synthesis
Intermediate
Intermediate
Use
Remarks:
Reference:
B.
Intermediate in the manufacture of
plasticizer alcohols and surfactants
American Chemistry Council’s Higher Olefins Panel (2002)
Uses In Consumer Products
Not applicable
1.7
Sources of Exposure
Source:
Remarks:
This product is produced commercially in closed systems and is used
primarily as an intermediate in the production of other chemicals.
No
non-intermediate
applications
have
been
identified.
Any
occupational exposures that do occur are most likely by the
inhalation and dermal routes. It is a common practice to use
personal protective equipment.
In the case of dermal exposures,
protective gloves would be worn due to the mildly irritating
properties of this class of chemicals (ACC Higher Olefins Panel).
Results from modelled data suggest that on-site waste treatment
processes are expected to remove this substance from aqueous waste
streams to the extent that it will not be readily detectable in
effluent discharge (EPIWIN, 2000). This substance is not on the US
Toxic Release Inventory (TRI) list (NLM, 2003). This olefin will not
persist in the environment because it can be rapidly degraded
through biotic and abiotic processes.
Reference:
American Chemistry Council’s Higher Olefins Panel (2002)
1.8
Additional Information
A.
Classification and Labelling
UNEP PUBLICATIONS
303
OECD SIDS
1. GENERAL INFORMATION
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Classification
Type:
Category of danger:
R-phrases:
as in Directive 67/548/EEC
Flammable, Harmful
(10) Flammable
(65) Harmful: may cause lung damage if swallowed
Labelling
Type:
Specific limits:
Symbols:
Nota:
R-phrases:
S-phrases:
B.
as in Directive 67/548/EEC
no
Xn
(10) Flammable
(65) Harmful: may cause lung damage if swallowed
(9) Keep container in a well ventilated place
(16) Keep away from sources of ignition – No smoking
(33) Take precautionary measures against static
discharges
(S62) If swallowed, do not induce vomiting: seek medical
advice immediately and show this container or label
Occupational Exposure Limits
Exposure Limit Value
Type:
Value:
None available
Short Term Exposure Limit Value
Value:
Length of
exposure period:
Frequency:
C.
Options For Disposal
Remarks:
D.
Incineration, diversion to other hydrocarbon uses
Last Literature Search
Type of search:
Date of search:
Remark:
304
None available
Internal and external
October 2003
Medline
IUCLID
TSCATS
ChemIDplus
AQUIRE - ECOTOX
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
2.1
Melting
A.
Test Substance
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Point
Identity:
CAS No. 27215-95-8, Nonene
Method
Method/
guideline followed:
Calculated value using MPBPWIN version 1.41, a
subroutine of EPIWIN version 3.1
GLP:
Not applicable
Year:
Not applicable
Test Conditions:
Results
Melting point
value in °C:
Melting Point is calculated by the MPBPWIN subroutine,
which is based on the average results of the methods of
K. Joback, and Gold and Ogle, and chemical structure.
Joback's Method is described in Joback, (1982). The Gold
and Ogle Method simply uses the formula Tm = 0.5839Tb,
where Tm is the melting point in Kelvin and Tb is the
boiling point in Kelvin. Program used the structure for
2-nonene.
-56.70°C
Reliability:
(2) Reliable with restrictions. The result includes
calculated data based on chemical structure as modeled
by EPIWIN.
Flag:
Key study for SIDS endpoint
References:
Joback, K.G. 1982. A Unified Approach to Physical
Property Estimation Using Multivariate Statistical
Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E.
Poling, Eds.
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
B.
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method/guideline followed:
GLP:
Year:
No data
No data
No data
Test Conditions:
No data
Results
UNEP PUBLICATIONS
305
OECD SIDS
2. PHYSICO-CHEMICAL DATA
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Melting point value in °C:
C.
ca. –80 to
-90 °C
Reliability:
(4) Not assignable. These data were not reviewed
for quality.
References:
in IUCLID)
Enichem S.p.A Milan , manufacturer’s data (cited
Test Substance
Identity:
CAS 124-11-8, 1-Nonene
Method
Method/guideline followed:
No data
GLP:
No data
Year:
No data
Test Conditions:
No data
Results
Melting point value in °C:
-81.3 °C
Reliability:
(2) Reliable with restrictions. Reliable
secondary source. These data were not reviewed for
quality.
Flag:
Key study for SIDS endpoint
References:
Lide, D.R. (ed.) (1998-1999) CRC Handbook of
Chemistry and Physics. 79th ed. Boca Raton, FL: CRC
Press Inc., p. 3-225.
2.2
Boiling Point
A.
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method/
guideline followed:
Calculated value using MPBPWIN version 1.41, a
subroutine of EPIWIN version 3.11
GLP:
Not applicable
Year:
Not applicable
Test Conditions:
Results
Boiling point
value in °C:
Pressure:
Pressure unit:
306
Boiling Point is calculated by the MPBPWIN subroutine,
which is based on the method of Stein and Brown (1994).
Program used the structure for 2-nonene.
149.53°C
1013
hPa
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Reliability:
(2) Reliable with restrictions. The result includes
calculated data based on chemical structure as modeled
by EPIWIN.
Flag:
Key study for SIDS endpoint
References:
Stein, S. and R. Brown (1994) Estimation of normal
boiling points from group contributions (1994) J. Chem.
Inf. Comput. Sci. 34: 581-587.
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
B.
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method:
GLP:
Year:
No data
No data
No data
Test Conditions:
No data
Results
Boiling point value:
ca. 135 - 140°C
Pressure:
1013 hPa
Remarks:
C.
Reliability:
(4) Not assignable. These data were not reviewed for
quality.
References:
IUCLID)
Enichem S.p.A Milan , manufacturer’s data (cited in
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method/guideline followed:
No data
GLP:
No data
Year:
No data
Test Conditions:
No data
Results
Boiling point value:
Pressure:
135 – 140°C
1013 hPa
UNEP PUBLICATIONS
307
OECD SIDS
2. PHYSICO-CHEMICAL DATA
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Reliability:
(2) Reliable with restrictions. Reliable
secondary source. These data were not reviewed for
quality.
Flag:
Key study for SIDS endpoint
References:
U.S. Coast Guard Department of Transportation.
CHRIS – Chemical Hazards Response Information
System Washington, DC, information last updated
2002, website:
http://www.chrismanual.com/default.htm.
2.3
Density
A.
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method:
GLP:
No data
No data
Test Conditions:
No data
Results
Type:
Value:
Temperature (°C): 15°C
B.
Density
ca. 0.74 – 0.747 g/cm3
Reliability:
(4) Not assignable. These data were not reviewed for
quality.
Reference:
IUCLID)
Enichem S.p.A Milan , manufacturer’s data (cited in
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method:
GLP:
No data
No data
Test Conditions:
No data
Results
Type:
Value:
Temperature (°C): 20°C
308
Specific gravity
0.739
Reliability:
(2) Reliable with restrictions. Reliable secondary
source. These data were not reviewed for quality.
Reference:
U.S. Coast Guard Department of Transportation. CHRIS –
Chemical Hazards Response Information System Washington,
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
NONENE
ID: 27215-95-8
DATE: 28.04.2005
DC, information last updated 2002, website:
http://www.chrismanual.com/default.htm.
2.4
Vapour Pressure
A.
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method/
guideline followed:
GLP:
Year:
Not reported
Not applicable
Test Conditions:
Results
Vapor Pressure
Value:
Temperature:
Remarks:
B.
5.00 hPa
25°C
Reported as 3.75 mm Hg (25°C)
Reliability:
(2) Reliable with restrictions. The result is measured
data as cited in the EPIWIN database. These data were
not reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
Weber, R.C. et al. (1981) Vapor Pressure Distribution
of Selected Organic Chemicals. USEPA –600/2-81-021,
Cincinnati, OH: USEPA pp.39; EPIWIN (2000). Estimation
Program Interface for Windows, version 3.11. EPI Suite™
software, U.S. Environmental Protection Agency, Office
of Pollution Prevention and Toxics, U.S.A.
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method/
guideline followed:
Not reported
GLP:
Not applicable
Year:
Test Conditions:
Results
Vapor Pressure
Value:
Temperature:
Reliability:
ca. 53.32 – 66.66 hPa
50°C
(4) Not assignable. These data were not reviewed for
quality.
UNEP PUBLICATIONS
309
OECD SIDS
2. PHYSICO-CHEMICAL DATA
References:
C.
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Enichem S.p.A Milan , manufacturer’s data (cited in
IUCLID)
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method/
guideline followed:
Calculated value using the computer program
EPIWIN, MPBPWIN v 1.41
GLP:
Not applicable
Year:
Not applicable
Test Conditions:
Vapor Pressure is calculated by the MPBPWIN subroutine,
which is based on the average result of the methods of
Antoine and Grain. Both methods use boiling point for
the calculation. The Antoine Method is described by
Lyman et al., 1990. A modified Grain Method is
described by Neely and Blau, 1985. The calculation used
a value for BP of 149.53 °C, estimated by EPIWIN using
the structure for 2-nonene.
Results
Vapor Pressure
value:
6.98 hPa
Temperature (°C ): 25°C
Remarks:
Reported as 5.24 mm Hg
Reliability:
(2) Reliable with restrictions. The result is
calculated data as modeled by EPIWIN and estimated data
from EPIWIN.
References:
Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds.
(1990) Handbook of Chemical Property Estimation. Chapter
14. Washington, D.C.: American Chemical Society.
Neely and Blau (1985) Environmental Exposure from
Chemicals, Volume 1, p. 31, CRC Press.
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
2.5
Partition Coefficient (log10Kow)
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method:
GLP:
Year:
310
Calculated value using the computer program EPIWIN,
KOWWIN v 1.67
Not applicable
Not applicable
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
Test Conditions:
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Octanol / Water Partition Coefficient is calculated by
the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995). Program used the structure for 2-nonene.
Results
Log Kow:
4.55
Temperature (°C ): Not applicable
Reliability:
(2) Reliable with restrictions. The result was
calculated based on chemical structure as modeled by
EPIWIN.
Flag:
Key study for SIDS endpoint
Reference:
Meylan, W. and P. Howard (1995) Atom/fragment
contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI
Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention
and
Toxics, U.S.A.
2.6.1
A.
Water Solubility (including *Dissociation Constant).
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
Calculated value using the computer program
EPIWIN, WSKOW v 1.41
Not applicable
Not applicable
Water Solubility is calculated by the WSKOW
subroutine, which is based on a Kow correlation
method described by Meylan et al., 1996. The
calculation used an estimated Log Kow of 4.55
(EPIWIN) which was estimated using the structure
for 2-nonene.
Results
Value(mg/L) at
temperature ( °C):
3.619 mg/L (25°C)
Reliability:
(2) Reliable with restrictions. The result was
calculated using estimated data as modeled by
EPIWIN.
Flag:
Key study for SIDS endpoint
UNEP PUBLICATIONS
311
OECD SIDS
2. PHYSICO-CHEMICAL DATA
References:
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Meylan, W., P. Howard and R. Boethling (1996)
Improved method for estimating water solubility
from octanol/water partition coefficient. Environ.
Toxicol. Chem. 15:100-106.
EPIWIN (2000). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
B.
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
Calculated value using the computer program
EPIWIN, WATERNT v 1.01
Not applicable
Not applicable
The calculation was based on chemical structure as
modeled by EPIWIN.
Results
Value(mg/L) at
temperature ( °C):
2.7615 mg/L (25°C)
Reliability:
(2) Reliable with restrictions. The result was
calculated based on chemical structure as modeled
by EPIWIN.
References:
EPIWIN (2000). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
2.6.2 Surface tension
No data available
2.7
Flash Point (Liquids)
A.
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method:
GLP:
No data
Test Conditions:
No data
Results
Value (°C):
312
25.6 °C
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
Type of test:
B.
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Open cup
Reliability:
(2) Reliable with restrictions. Reliable secondary
source. These data were not reviewed for quality.
Reference:
U.S. Coast Guard Department of Transportation. CHRIS –
Chemical Hazards Response Information System Washington,
DC, information last updated 2002, website:
http://www.chrismanual.com/default.htm.
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method:
Year:
GLP:
Directive 84/449/EEC, A.9 “Flash point”
1985
Test Conditions:
No data
Results
2.8
Value (°C):
Type of test:
ca. range 20-23°C
Closed cup
Reliability:
(4) Not assignable. These data were not reviewed for
quality.
Reference:
Enichem S.p.A Milan , manufacturer’s data (cited in
IUCLID)
Auto Flammability (Solids/Gases)
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method:
Directive 84/449EEC, A.15 “Auto-flammability of volatile
liquids or gases”
GLP:
No data
Test Conditions:
No data
Results
Value (°C):
Pressure (hPa):
ca. 245 – 420 °C
No data
Reliability
(4)
Reference:
Enichem S.p.A Milan , manufacturer’s data (cited in IUCLID)
Not assignable. These data were not reviewed for quality.
UNEP PUBLICATIONS
313
OECD SIDS
2. PHYSICO-CHEMICAL DATA
2.9
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Flammability
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method:
GLP:
No data
No data
Test Conditions:
No data
Result:
Highly flammable
Lower flammability limit:
Upper flammability limit:
0.7% in air (estimated)
3.9% in air (estimated)
Reliability:
(2) Reliable with restrictions. Reliable secondary
source. Data were not evaluated for quality.
Reference:
2.10
U.S. Coast Guard Department of Transportation. CHRIS –
Chemical Hazards Response Information System Washington,
DC, information last updated 2002, website:
http://www.chrismanual.com/default.htm.
Explosive Properties
No data available
2.11
Oxidising Properties
No data available
2.12
Oxidation-Reduction Potential
No data available
2.13
314
Additional Information
UNEP PUBLICATIONS
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
3.1
Stability
A.
Photodegradation
(1)
Test Substance
Identity:
NONENE
ID: 27215-95-8
DATE: 28.04.2005
CAS No. 27215-95-8, Nonene
Method
Method/
guideline followed:
Other: Technical discussion
Type:
GLP:
Year:
water
Not applicable
Not applicable
Test Conditions:
Not applicable
Results
Direct photolysis:
In the environment, direct photolysis will
not significantly contribute to the degradation of
constituent chemicals in the Higher Olefins
Category.
Remarks:
The direct photolysis of an organic molecule
occurs when it absorbs sufficient light energy to
result in a structural transformation (Harris,
1982a). The reaction process is initiated when
light energy in a specific wavelength range
elevates a molecule to an electronically excited
state. However, the excited state is competitive
with various deactivation processes that can
result in the return of the molecule to a non
excited state.
The absorption of light in the ultra violet (UV)visible range, 110-750 nm, can result in the
electronic excitation of an organic molecule.
Light in this range contains energy of the same
order of magnitude as covalent bond dissociation
energies (Harris, 1982a). Higher wavelengths (e.g.
infrared) result only in vibrational and
rotational transitions, which do not tend to
produce structural changes to a molecule.
The stratospheric ozone layer prevents UV light of
less than 290 nm from reaching the earth's
surface. Therefore, only light at wavelengths
between 290 and 750 nm can result in photochemical
transformations in the environment (Harris,
1982a). Although the absorption of UV light in the
290-750 nm range is necessary, it is not always
sufficient for a chemical to undergo photochemical
degradation. Energy may be re-emitted from an
excited molecule by mechanisms other than chemical
transformation, resulting in no change to the
parent molecule.
UNEP PUBLICATIONS
315
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
NONENE
ID: 27215-95-8
DATE: 28.04.2005
A conservative approach to estimating a
photochemical degradation rate is to assume that
degradation will occur in proportion to the amount
of light wavelengths >290 nm absorbed by the
molecule (Zepp and Cline, 1977).
Olefins with one double bond, such as the
chemicals in the Higher Olefins category, do not
absorb appreciable light energy above 290 nm. The
absorption of UV light to cause cis-trans
isomerization about the double bond of an olefin
occurs only if it is in conjugation with an
aromatic ring (Harris, 1982a).
Products in the Higher Olefins Category do not
contain component molecules that will undergo
direct photolysis. Therefore, this fate process
will not contribute to a measurable degradative
removal of chemical components in this category
from the environment.
Reliability:
Not applicable
References:
Harris J C (1982a). Rate of Aqueous
Photolysis. Chapter 8 in: W. J. Lyman, W. F.
Reehl, and D. H. Rosenblatt, eds., Handbook of
Chemical Property Estimation Methods, McGraw-Hill
Book Company, New York, USA.
Zepp, R. G. and D. M. Cline (1977). Rates of
Direct Photolysis in the Aqueous Environment,
Environ. Sci. Technol., 11:359-366.
(2)
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method/
guideline followed:
Calculated values using AOPWIN version 1.91,
a subroutine of the computer program EIPWIN
version 3.11 which uses a program described by
Meylan, W.M. and Howard, P.H.
(1993) Program
used the structure for 2-nonene.
Type:
air
GLP:
Nor applicable
Year:
Not applicable
Results
Indirect photolysis
Sensitiser (type):
Rate Constant:
Degradation % after:
Rate Constant:
316
OH
63.2401 E-12 cm3/molecule-sec (cis isomer)
50% after 2.030 hrs (using 12-hr day and
avg. OH conc. of 1.5 E6 OH/cm3) (cis isomer)
70.8401 E-12 cm3/molecule-sec (trans isomer)
UNEP PUBLICATIONS
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Degradation % after:
50% after 1.812 hrs (using 12-hr day and
avg. OH conc. of 1.5 E6 OH/cm3) (trans
isomer)
Sensitiser (type):
Rate Constant:
Degradation % after:
Ozone
Rate Constant:
Degradation % after:
13 E-17 cm3/molecule-sec (cis isomer)
50% after 2.116 hrs (using avg. ozone conc.
of 7 E11 mol/cm3) (Cis isomer)
20 E-17 cm3/molecule-sec (trans isomer)
50% after 1.375 hrs (using avg. ozone conc.
of 7 E11 mol/cm3) (trans isomer)
Reliability:
(2) Reliable with restrictions. The value was
calculated data based on chemical structure as
modeled by EPIWIN. This robust summary has a
rating of 2 because the data are calculated and
not measured.
Flag:
Critical study for SIDS endpoint
References:
Meylan, W.M. and Howard, P.H. (1993) Computer
estimation of the atmospheric gas-phase reaction
rate of organic compounds with hydroxyl radicals
and ozone. Chemosphere 26: 2293-99
EPIWIN (2000). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
B.
Stability in Water
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method/
guideline followed:
Other – Technical Discussion
Test Conditions:
Not applicable
Results:
Not applicable
Remarks:
Hydrolysis of an organic molecule occurs when a molecule
(R-X) reacts with water (H2O) to form a new carbonoxygen bond after the carbon-X bond is cleaved (Gould,
1959; Harris, 1982b). Mechanistically, this reaction is
referred to as a nucleophilic substitution reaction,
where X is the leaving group being replaced by the
incoming nucleophilic oxygen from the water molecule.
The leaving group, X, must be a molecule other than
carbon because for hydrolysis to occur, the R-X bond
cannot be a carbon-carbon bond. The carbon atom lacks
sufficient electronegativity to be a good leaving group
and carbon-carbon bonds are too stable (high bond
energy) to be cleaved by nucleophilic substitution.
UNEP PUBLICATIONS
317
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Thus, hydrocarbons, including alkenes, are not subject
to hydrolysis (Harris, 1982b) and this fate process will
not contribute to the degradative loss of chemical
components in this category from the environment.
Under strongly acidic conditions the carbon-carbon
double bond found in alkenes, such as those in the
Higher Olefins Category, will react with water by an
addition reaction mechanism (Gould, 1959). The reaction
product is an alcohol. This reaction is not considered
to be hydrolysis because the carbon-carbon linkage is
not cleaved and because the reaction is freely
reversible (Harris, 1982b). Substances that have a
potential to hydrolyze include alkyl halides, amides,
carbamates, carboxylic acid esters and lactones,
epoxides, phosphate esters, and sulfonic acid esters
(Neely, 1985).
The substances in the Higher Olefins Category are
primarily olefins that contain at least one double bond
(alkenes). The remaining chemicals are saturated
hydrocarbons (alkanes). These two groups of chemicals
contain only carbon and hydrogen. As such, their
molecular structure is not subject to the hydrolytic
mechanism discussed above. Therefore, chemicals in the
Higher Olefins Category have a very low potential to
hydrolyze, and this degradative process will not
contribute to their removal in the environment.
Conclusions:
In the environment, hydrolysis will not contribute to
the degradation of nonene.
Reliability:
References:
Not applicable
Gould, E.S. (1959) Mechanism and Structure in Organic
Chemistry,
Holt, Reinhart and Winston, New York, NY, USA.
Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in:
W.J. Lyman, W.F. Reehl, and D.H. Rosenblatt, eds.,
Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.
Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G.
E. Blau, eds. Environmental Exposure from Chemicals. Vol
I., pp. 157-173. CRC Press, Boca Raton, FL, USA.
C.
Stability In Soil
No data available
3.2
Monitoring Data (Environment)
No data available.
3.3
3.3.1
318
Transport and Distribution
Transport between environmental compartments
UNEP PUBLICATIONS
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
A.
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Type:
Fugacity models, Mackay Levels I and
III
Remarks:
Trent University model used for calculations. Half-lives in
water, soil and sediment estimated using EPIWIN (EPIWIN, 2000)
Chemical assumptions:
Molecular weight:
Water solubility:
Vapor pressure:
Log Kow:
Melting point:
Environment name:
126
3.619 g/m3
500 Pa (25°C)
4.55
-56.7°C
EQC Standard Environment
Half-life in air = 1.4 hr, half-life in water = 208 hr, halflife in soil = 208 hr, half-life in sediment = 832 hr
All other parameters were default values. Emissions for Level
I = 1000 kg. Level III model assumed continuous 1000 kg/hr
releases to each compartment (air, water and soil).
Results
Media: Air, soil, water and sediment concentrations were
estimated
Air
Water
Soil
Sediment
Remarks:
Level I
99%
<1%
<1%
<1%
Level III
<1%
41.2%
52.6%
5.2%
Since default assumptions for release estimates were used,
resulting environmental concentrations are not provided.
Conclusions:
These results indicated that nonene will partition
primarily to air under equilibrium conditions (Level I model),
but primarily to water and soil under the assumed pattern of
chemical release (equal loading of water, soil and air) in the
Level III model.
Reliability:
Flag:
(2) Valid with restrictions: Data are calculated.
Critical study for SIDS endpoint
References: Trent University (2004). Level I Fugacity-based Environmental
Equilibrium Partitioning Model (Version 3.00) and Level III
Fugacity-based Multimedia Environmental Model (Version 2.80.1.
Environmental Modeling Centre, Trent University, Peterborough,
Ontario. (Available at http://www.trentu.ca/cemc)
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI
Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.
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3. ENVIRONMENTAL FATE AND PATHWAYS
B.
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Type:
Volatilization from water
Remarks:
Calculated values using AOPWIN version 1.90, a
subroutine of the computer program EIPWIN version 3.11
which uses a program described by Meylan, W.M. and
Howard, P.H.
(1993) based on
Henry’s Law Constant of 0.99 atm-m3/mole (estimated by
Bond SAR method using HENRYWIN program) and EPIWIN
default values
Results:
Half-life from a model river: 1.147 hrs
Half-life from a model lake: 4.4 days
Reliability:
calculated.
References:
(2) Valid with restrictions. Values are
Meylan, W.M. and Howard, P.H. (1993) Computer
estimation of the atmospheric gas-phase reaction rate of
organic compounds with hydroxyl radicals and ozone.
Chemosphere 26: 2293-99
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
3.3.2
A.
Distribution
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method:
Adsorption Coefficient (Koc) calculated value using the
computer program EPIWIN, PCKOC v 1.66, using the method
described by Meylon et al., 1992.
Test Conditions:
for 2-nonene.
Based on chemical structure. Program used the structure
Results
Value:
320
Estimated Koc = 935
Reliability:
(2)
Reliable with restrictions. Value is calculated.
Reference:
Meylan, W., P.H. Howard and R.S. Boethling (1992)
Molecular topology/fragment contribution method for
predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7
UNEP PUBLICATIONS
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
NONENE
ID: 27215-95-8
DATE: 28.04.2005
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
B.
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method:
Henry’s Law Constant calculated value using the computer
program EPIWIN, HENRY v 3.10
Test Conditions:
Bond and Group estimates based on chemical structure, at
25°C; VP/water solubility estimates based on EPIWIN
values of VP = 5.24 mm Hg and WS = 3.62 mg/L.
Results
3.4
A.
Value:
Bond estimate = 0.990 atm-m3/mole
Group estimate = 1.04 atm-m3/mole
VP/Wsol estimate = 0.2405 atm-m3/mole
Reliability:
(2)
Reference:
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
Reliable with restrictions. Values are calculated.
Aerobic Biodegradation
TEST SUBSTANCE
Identity:
CAS No. 68526-54-5; Alkenes, C7-9, C8 Rich
Method
Method/guideline:
OECD 301F, Ready Biodegradability, Manometric
Respirometry Test
Type:
Aerobic [X ] Anaerobic [ ]
GLP:
Yes
Year:
1995
Contact time:
28 days
Inoculum:
Domestic activated sludge
Test Conditions:
Activated sludge and test medium were combined prior to
test material addition. Test medium consisted of glass
distilled water and mineral salts (phosphate buffer,
ferric chloride, magnesium sulfate, and calcium
chloride).
Test vessels were 1L glass flasks placed in a waterbath
and electronically monitored for oxygen consumption.
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NONENE
ID: 27215-95-8
DATE: 28.04.2005
Test material was tested in triplicate, controls and
blanks were tested in duplicate. Test material loading
was approximately 32 mg/L. [Reason for using 32 mg/L
instead of 100 mg/L: Substances such as this test
material typically have ThODs between 2 and 3 mg per mg
substance. Thus, the test material concentration was
adjusted for a target of 100 mg THOD/L] Sodium benzoate
(positive control) concentration was approximately 44
mg/L. Test temperature was 22 +/- 1 Deg C.
All test vessels were stirred constantly for 28 days
using magnetic stir bars and plates.
Results:
Approximately 29% biodegradation of the test material
was measured on day 28. Approximately 10% biodegradation
was achieved on day 17.
By day 14, >60% biodegradation of the positive control
was measured, which meets the guideline requirement. No
excursions from the protocol were noted.
Biodegradation was based on oxygen consumption and the
theoretical oxygen demand of the test material as
calculated using results of an elemental analysis of the
test material.
Degradation
Sample
Test Material
Na Benzoate
% Degradation*
Mean %
(day 28)
44.1, 28.6, 15.0
98.9, 95.5
97.2
(day 28)
29.2
* replicate data
B.
Reliability:
(2) Reliable with restrictions: The range in
biodegradation values is not less than 20% as required
in the OECD test guideline.
Flag:
Key study for SIDS endpoint
Reference:
Exxon Biomedical Sciences, Inc. (1997) Ready
Biodegradability: OECD 301F Manometric Respirometry.
Study #119194A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).
TEST SUBSTANCE
Identity:
CAS No. 68526-56-7; Alkenes, C9-11, C10 Rich
Method
Method/guideline:
OECD 301F, Ready Biodegradability, Manometric
Respirometry Test
Type:
Aerobic [X ] Anaerobic [ ]
GLP:
Yes
Year:
1995
Contact time:
28 days
Inoculum:
Domestic activated sludge
322
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3. ENVIRONMENTAL FATE AND PATHWAYS
Test Conditions:
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Activated sludge and test medium were combined prior to
test material addition. Test medium consisted of glass
distilled water and mineral salts (phosphate buffer,
ferric chloride, magnesium sulfate, and calcium
chloride).
Test vessels were 1L glass flasks placed in a waterbath
and electronically monitored for oxygen consumption.
Test material was tested in triplicate, controls and
blanks were tested in duplicate. Test material loading
was approximately 42 mg/L. [Reason for using 42 mg/L
instead of 100 mg/L: Substances such as this test
material typically have ThODs between 2 and 3 mg per mg
substance. Thus, the test material concentration was
adjusted for a target of 100 mg THOD/L] Sodium benzoate
(positive control) concentration was approximately 44
mg/L. Test temperature was 22 +/- 1 Deg C.
All test vessels were stirred constantly for 28 days
using magnetic stir bars and plates.
Results:
Approximately 21% biodegradation of the test material
was measured on day 28. Approximately 10% biodegradation
was achieved on day 17.
By day 14, >60% biodegradation of the positive control
was measured, which meets the guideline requirement. No
excursions from the protocol were noted.
Biodegradation was based on oxygen consumption and the
theoretical oxygen demand of the test material as
calculated using results of an elemental analysis of the
test material.
% Degradation*
Mean %
(day 28)
20.9, 19.9, 22.6
98.9, 95.5
97.2
(day 28)
21.1
Degradation
Sample
Test Material
Na Benzoate
* replicate data
Reliability:
C.
(1) Reliable without restriction
Flag:
Key study for SIDS endpoint
Reference:
Exxon Biomedical Sciences, Inc. (1997) Ready
Biodegradability: OECD 301F Manometric Respirometry.
Study #119294A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
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323
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3. ENVIRONMENTAL FATE AND PATHWAYS
Method/guideline:
Estimated using the
3.10, BIOWIN v 4.01
Type:
Aerobic
NONENE
ID: 27215-95-8
DATE: 28.04.2005
computer
program
EPIWIN
v
Test Conditions:
Estimates use methods described by Howard et al., 1992;
Boethling et al., 1994; and Tunkel et al., 2000.
Estimates are based upon fragment constants that were
developed
using
multiple
linear
and
non-linear
regression analyses.
Results:
Linear model prediction: Biodegrades fast
Non-linear model prediction: Biodegrades fast
Ultimate biodegradation timeframe: Days-Weeks
Primary biodegradation timeframe: Days
MITI linear model prediction: Biodegrades fast
MITI non-linear model prediction: Biodegrades fast
Reliability:
(2) Reliable with restriction:
estimated.
Reference:
Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J.
Beaumann and N. Tirado (1994) Group contribution method
for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.
Results are
Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M.
Meylan, A.E. Hueber, J.A. Beauman and M.E. Larosche
(1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data.
Environ. Toxicol. Chem. 11:593-603.
Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and
H. Loonen (2000) Predicting ready biodegradability in
the MITI Test. Environ. Toxicol. Chem. (accepted for
publication)
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
3.8
BOD5, COD or ratio BOD5/COD
No data available
3.6
Bioaccumulation
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Method
Method:
324
BCF calculated value using the computer program EPIWIN, BCF v
2.15
UNEP PUBLICATIONS
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
Test Conditions:
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Based on chemical structure and a Log Kow of 4.55 (estimated
data from EPIWIN) using methods described by Meylan et al.,
1999. Formula used to make BCF estimate: Log BCF = 0.77 log
Kow – 0.70 with no correction factor.
Results
Value:
Estimated Log BCF =
2.801 (BCF = 631.9)
Reliability:
(2)
Reliable with restrictions. Value is calculated.
Reference:
Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved
method for estimating bioconcentration / bioaccumulation
factor from octanol/water partition coefficient. Environ.
Toxicol. Chem. 18(4): 664-672
EPIWIN (2000). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
3.7
Additional Information
A.
Sewage Treatment
Test Substance
Identity:
CAS No. 27215-95-8, Nonene
Test Method:
Calculated, EPIWIN STP Fugacity Model, predicted fate in
a wastewater treatment facility.
MW = 126.24; Henry’s LC = 0.99 atm-m3/mol; airwater partition coefficient = 40.4881; Log Kow = 4.55;
biomass to water partition coefficient = 7097.07;
temperature = 25°C
No
Secondary waste water treatment (water)
Aerobic
Input values:
GLP:
Test Medium:
Test Type:
Test Results:
Reference:
99.81 % removed from wastewater treatment
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
UNEP PUBLICATIONS
325
OECD SIDS
4. ECOTOXICITY
NONENE
ID: 27215-95-8
DATE: 28.04.2005
4.1
Acute Toxicity to Fish
A.
Test Substance
Identity:
CAS No. 68526-54-5; Alkenes, C7-9, C8 Rich
Method
Method/guideline: OECD 203
Test type:
Semistatic Fish Acute Toxicity Test
GLP:
Yes [X ] No [ ]
Year:
1995
Species/Strain:
Rainbow Trout (Oncorhynchus mykiss)
Analytical Monitoring: Yes
Exposure period: 96 hours
Statistical methods:
Trimmed Spearman-Karber Method (Hamilton, M.A. et
al. 1977. Trimmed Spearman-Karber Method for Estimating
Median Lethal Concentration in Toxicity Bioassays.
Environ. Sci. Technol. 11:714-719.)
Test Conditions:
Each test solution was prepared by adding the test
substance, via syringe, to 19.5 L of laboratory blend
water in 20 L glass carboys. The solutions were mixed
for 24 hours with a vortex of <10%. Mixing was performed
using a magnetic stir plate and Teflon coated stir bar
at room temperature (approximately 22C). After mixing,
the solutions were allowed to settle for one hour after
which the Water Accommodated Fraction (WAF) was siphoned
from the bottom of the mixing vessel through a siphon
that was placed in the carboy prior to adding the test
material. Test vessels were 4.0 L aspirator bottles that
contained approximately 4.5 L of test solution. Each
vessel was sealed with no headspace after 4 fish were
added. Three replicates of each test material loading
were prepared. Approximately 80% of each solution was
renewed daily from a freshly prepared WAF.
Test material loading levels included: 2.6, 4.3, 7.2,
12, and 20 mg/L, which measured 0.2, 0.4, 0.7, 1.2, and
2.5 mg/L, respectively, and are based on the mean of
samples taken from the new and old test solutions. A
control containing no test material was included and the
analytical results were below the quantitation limit,
which was 0.2 mg/L.
Water hardness was 174-178 mg/L as CaCO3. Test
temperature was 15C (sd = 0.09). Lighting was 578 to 580
Lux with a 16-hr light and 8-hr dark cycle. Dissolved
oxygen ranged from 8.5 to 10.2 mg/L for "new" solutions
and 6.5 to 8.5 mg/L for "old" solutions. The pH ranged
from 7.0 to 8.8 for "new" solutions and 7.0 to 8.4 for
"old" solutions.
Fish supplied by Thomas Fish Co. Anderson, CA, USA; age
at test initiation = approximately 5 weeks; mean wt. at
test termination = 0.272 g; mean total length at test
termination = 3.5 cm; test loading = 0.24 g of fish/L.
The fish were slightly shorter than the guideline
suggestion of 4.0 to 6.0 cm, which were purposely
selected to help maintain oxygen levels in the closed
326
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
NONENE
ID: 27215-95-8
DATE: 28.04.2005
system. Fish size had no significant effect on study
outcome.
Results:
96-hour LL50 = 8.9 mg/L (95% CI 9.9 to 13.3 mg/L) based
upon loading rates.
96-hour LC50 = 0.87 mg/L (95% CI 0.79 to 0.96 mg/L)
based upon measured values of old and new solutions.
Analytical method used was Headspace Gas Chromatography
with Flame Ionization Detection (GC-FID).
Loading
Measured
Fish Total
Rate (mg/L) Conc. (mg/L)
Mortality (@96 hrs)*
Control
Control
0
2.6
0.2
0
4.3
0.4
0
7.2
0.7
1
12
1.2
12
20
2.5
12
* 12 fish added at test initiation
Reliability:
B.
(1) Reliable without restriction
Flag:
Key study for SIDS endpoint
References:
Exxon Biomedical Sciences, Inc. (1996) Fish, Acute
Toxicity Test. Study #119158. Exxon Biomedical Sciences,
Inc., East Millstone, NJ, USA (unpublished report).
Test Substance
Identity:
CAS No. 68526-56-7; Alkenes, C9-11, C10 Rich
Method
Method/guideline: OECD 203
Test type:
Semistatic Fish Acute Toxicity Test
GLP:
Yes [X ] No [ ]
Year:
1995
Species/Strain:
Rainbow Trout (Oncorhynchus mykiss)
Analytical Monitoring: Yes
Exposure period:
96 hours
Statistical methods:
Trimmed Spearman-Karber Method (Hamilton, M.A. et
al. 1977. Trimmed Spearman-Karber Method for
Estimating Median Lethal Concentration in Toxicity
Bioassays. Environ. Sci. Technol. 11:714-719.)
Test Conditions:
Each test solution was prepared by adding the test
substance, via syringe, to 19.5 L of laboratory blend
water in 20 L glass carboys. The solutions were mixed
for 24 hours with a vortex of <10%. Mixing was performed
using a magnetic stir plate and Teflon coated stir bar
at room temperature (approximately 22C). After mixing,
the solutions were allowed to settle for one hour after
which the Water Accommodated Fraction (WAF) was siphoned
from the bottom of the mixing vessel through a siphon
that was placed in the carboy prior to adding the test
material. Test vessels were 4.0 L aspirator bottles that
UNEP PUBLICATIONS
327
OECD SIDS
4. ECOTOXICITY
NONENE
ID: 27215-95-8
DATE: 28.04.2005
contained approximately 4.5 L of test solution. Each
vessel was sealed with no headspace after 4 fish were
added. Three replicates of each test material loading
were prepared. Approximately 80% of each solution was
renewed daily from a freshly prepared WAF.
Test material loading levels included: 0.2, 0.4, 1.2,
3.5, and 10 mg/L, which measured 0.01, 0.03, 0.06, 0.08,
and 2.6 mg/L, respectively, and are based on the mean of
samples taken from the new and old test solutions. A
control containing no test material was included and the
analytical results were below the quantitation limit,
which was 0.03 mg/L.
Water hardness was 160-180 mg/L as CaCO3. Test
temperature was 16C (sd = 0.2). Lighting was 445 to 555
Lux with a 16-hr light and 8-hr dark cycle. Dissolved
oxygen ranged from 8.7 to 9.9 mg/L for "new" solutions
and 7.2 to 8.5 mg/L for "old" solutions. The pH ranged
from 7.0 to 8.8 for "new" solutions and 7.3 to 8.7 for
"old" solutions.
Fish supplied by Thomas Fish Co. Anderson, CA, USA; age
at test initiation = approximately 5 weeks; mean wt. at
test termination = 0.175 g; mean total length at test
termination = 3.0 cm; test loading = 0.19 g of fish/L.
The fish were slightly shorter than the guideline
suggestion of 4.0 to 6.0 cm, which were purposely
selected to help maintain oxygen levels in the closed
system. Fish size had no significant effect on study
outcome.
Results:
96-hour LL50 = 4.8 mg/L (95% CI 3.8 to 6.0 mg/L) based
upon loading rates.
96-hour LC50 = 0.12 mg/L (95% CI 0.11 to 0.14 mg/L)
based upon measured values of old and new solutions.
Analytical method used was Headspace Gas Chromatography
with Flame Ionization Detection (GC-FID).
Loading
Measured
Fish Total
Rate (mg/L) Conc. (mg/L)
Mortality (@96 hrs)*
Control
Control
0
0.2
0.01
0
0.4
0.03
0
1.2
0.06
0
3.5
0.08
3
10
0.26
15**
* 15 fish added at test initiation
** 1 mortality not test related
Reliability:
328
(1) Reliable without restriction
Flag:
Key study for SIDS endpoint
References:
Exxon Biomedical Sciences, Inc. (1996) Fish, Acute
Toxicity Test. Study #119258. Exxon Biomedical Sciences,
Inc., East Millstone, NJ, USA (unpublished report).
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
C.
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Test Substance
Identity:
CAS No. 124-11-8, 1-Nonene
Method
Method/guideline: 96 hour semistatic toxicity test
Test type:
semistatic
GLP:
No
Year:
1985
Species/Strain:
Brachydanio rerio (zebra fish)
Analytical Monitoring: No
Exposure period:
96 hr
Statistical methods:
The LL50 values were calculated by means of a
parametric model developed by Kooijman [Kooijman,
S.A.L.M. (1981) Parametric analyses of mortality
rates in bioassays. Water Res. 15:105-119.]
Test Conditions:
Results:
The test animals were 4-6 weeks old, 3 + 1 cm,
born and grown in the laboratory in fresh-water.
Necessary amounts of test material were added to 1 L
fresh water (pH ~8, hardness ~210 mg CaCO3 per liter) in
glass stoppered conical flasks and stirred for 4 hr
before adding test animals (10/ flask). Test
conditions: 24°C; no aeration, food, or replicate; test
medium renewed daily. At none of the dose levels was
test substance visible during the test period. pH and
oxygen were monitored. The target for oxygen
concentration was 70% of the saturation level. The
concentrations tested: 0, 3.2, 10, and 32 mg/L
(nominal).
LL50 (24 hr) estimated to be about 11 mg/L (LL0 = 3.2
mg/L, LL100 = 32 mg/L)
LL50 (48 hr) estimated to be about 6 mg/L (LL0 = 3.2 mg/L,
LL100 = 10 mg/L)
LL50 (72 hr) < 3.2 mg/L (LL0 < 3.2 mg/L)
LL50 (96 hr) < 3.2 mg/L (LL0 < 3.2 mg/L)
NOEC (96 hr) < 3.2 mg/L (nominal)
4.2
Remarks:
Assessment of condition of test animals compared to the
controls was by visual estimation.
Reliability:
(2) Reliable with restrictions. Study does not totally
comply with current testing guidelines. No chemical
analyses were performed.
References:
Adema, D.M.M. and Bakker, G.H. (1985) Aquatic toxicity
of compounds that may be carried by ships
[MARPOL
1973; Annex II]. TNO report R 85/217, The Hague
(unpublished report).
Acute Toxicity to Aquatic Invertebrates (e.g. Daphnia)
Test Substance
Identity:
CAS No. 124-11-8, 1-Nonene
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NONENE
ID: 27215-95-8
DATE: 28.04.2005
Method
Method/guideline: 48-hr static toxicity test
Test type:
Static
GLP:
No
Year:
1985
Analytical Monitoring: No
Species/Strain:
Daphnia magna
Exposure period: 48 hrs
Statistical methods:
The EL50 values were calculated by means of a parametric
model developed by Kooijman [Kooijman, S.A.L.M. (1981)
Parametric analyses of mortality rates in bioassays. Water
Res. 15:105-119.]
Test Conditions:
Test media were prepared by adding test material to 500 ml of
fresh water (pH ~8, hardness ~210 mg CaCO3 per liter) in a
glass-stoppered conical flask and stirring for 4 hr before
adding test animals (25/ flask). Test conditions: 20 °C; no
aeration, food, replicate or media renewal. The test animals
were less than 24 hr old at the start of the test, from a
laboratory culture in standard fresh water. At none of the
dose levels was test substance visible during the test period.
pH and oxygen were monitored. During the test, the oxygen
concentration was >70% of the saturation level. The
concentrations tested: 0, 3.2, and 10 mg/L (nominal).
Results:
mg/L, EL10
EL50 (48 hr) < 3.2
mg/L (estimated to be about 2) (EL0 <3.2
= 10 mg/L)
NOEC (48 hr) < 3.2 mg/L (nominal)
Remarks:
Assessment of condition of test animals compared to controls
was by visual estimation.
Reliability:
(2) Reliable with restrictions. Study does not totally comply
with current testing guidelines. No chemical analyses were
performed.
References:
Adema, D.M.M. and Bakker, G.H. (1985) Aquatic toxicity of
compounds that may be carried by ships
[MARPOL 1973; Annex
II]. TNO report R 85/217, The Hague (unpublished report).
4.3
Toxicity to Aquatic Plants (e.g. Algae)
No data available.
4.4
Toxicity to Micro-organisms, e.g. Bacteria
No data available
4.5
Chronic Toxicity to Aquatic Organisms
A.
Chronic Toxicity to Fish
Test Substance:
330
CAS No. 27215-95-8, Nonene
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Method/Guideline:
Type (test type): 30-day Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000)
Species:
Fish
Test Conditions:
The program uses structure-activity relationships (SARs)
to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 4.55, which was estimated by EPIWIN using the
structure for 2-nonene.
Results:
B.
Units/Value:
Estimated 30-day ChV = 73 µg/L
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is calculated
data.
Reference:
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
Chronic Toxicity to Invertebrates
Test Substance:
CAS No. 27215-95-8, Nonene
Method/Guideline:
Type (test type): 16-day EC50 value calculated using the computer program
ECOSAR, version 0.99g included in the EPI Suite
software, v 3.11 (EPIWIN, 2000)
Species:
Daphnia magna
Test Conditions:
The program uses structure-activity relationships (SARs)
to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
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NONENE
ID: 27215-95-8
DATE: 28.04.2005
value of 4.55, which was estimated by EPIWIN using the
structure for 2-nonene.
Results:
Units/Value:
Estimated 16-day EC50 = 75 µg/L
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is calculated
data.
Reference:
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
4.6
Toxicity to Terrestrial Organisms
A.
Toxicity to Terrestrial Plants.
Test Substance:
CAS No. 27215-95-8, Nonene
Method/Guideline:
Type (test type): 96-hr Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000)
Species:
Green algae
Test Conditions:
The program uses structure-activity relationships (SARs)
to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 4.55, which was estimated by EPIWIN using the
structure for 2-nonene.
Results:
332
ChV = 152 µg/L
Units/Value:
Estimated 96-hr
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is calculated
data.
Reference:
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
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OECD SIDS
4. ECOTOXICITY
B.
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Toxicity to Soil Dwelling Organisms.
No data available
C.
Toxicity to Other Non Mammalian Terrestrial Species (including Avian)
No data available
4.7
Biological Effects Monitoring (including Biomagnification)
No data available
4.8
Biotransformation and Kinetics
No data available
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NONENE
ID: 27215-95-8
DATE: 28.04.2005
5.1
Toxicokinetics, Metabolism and Distribution
A.
Test Substance:
Nonene,
CAS No. 111-66-0,
Method
Test Type
GLP
Year
Non-standard
in-vivo
No data
No data
Method:
Animals were exposed via inhalation to individual
hydrocarbons in 6 separate experiments with equal design
except for the choice of test substance. Animals were
killed by decapitation, and blood and organ samples were
obtained within 3 minutes after removal of an animal
from the chamber. Food and water were available ad
libitum except during exposure. Dynamic exposure of the
animals was performed in 0.7 m3 steel chambers.
Temperature and humidity were kept within 23±1°C and
70±20% RH, respectively. The aimed concentration of 100
ppm was maintained by mixing a controlled stream of air
saturated with the test substance under a constant
temperature and flow with the main stream of dust
filtered air (5 m3/hr) before entering at the top of the
chamber. The concentration of hydrocarbons in the
chambers was monitored by on-line gas chromatography at
15 minute intervals. The concentration of hydrocarbons
in tissues was determined by headspace gas
chromatography. Two ml of blood or organ homogenate (or
0.25 g perirenal fat tissue) was equilibrated in 15 ml
headspace vials for 1 hr at 37 or 60 °C together with
calibration samples and blanks. 0.5 ml was taken from
the headspace by prewarmed gas tight syringe and
injected into a Shimadzu GC 9A gas chromatograph (FID).
Separation was performed on a 2 m x 1/8” stainless steel
column packed with GP 10% SP-2100 on Supelcoport 100/120
mesh with nitrogen as carrier gas. In blood, the
calibration curves covered a range from 0.5 – 100
µmol/kg, in organs from 1 – 500 µmol/kg and in fat from
5 – 10000 µmol/kg. In blood and organs, the detection
limits generally were within the range from 0.1 to 1
µmol/kg; in fat from 1 to 10 µmol/kg.
1-Octene, >99%; CAS No. 124-11-8, 1-
>99%; CAS No. 872-05-9, 1-Decene, >98% (tested
individually)
Test Conditions:
Species:
Rat
Strain:
Sprague-Dawley
Sex:
Male
Age:
No data
Bodyweight:
150 – 200 g at start of each experiment
Number of Animals:
Route:
334
4 per exposure
Inhalation
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5. TOXICITY
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Dose(s) used:
100 ppm for 3 days, 12 hr/day
Statistical Methods:
Actual Dose(s):
None reported
For the 3 days exposure period, the mean chamber
concentration was 99.3 ppm
Body Fluids Sampled:
Blood sampled at days 1, 2, and 3, immediately
after exposure and 12 hr after exposure on day 3
Tissues Sampled:
Brain, liver, kidney, fat; sampled at days 1, 2, and 3,
immediately after exposure and 12 hr after exposure on
day 3
Results:
No systematic increase or decrease in biological
concentrations was observed during the exposure period
except for fat. With the exception for the kidney, the
concentration increased with increasing number of carbon
atoms within each structure group. The organ
concentrations generally exceeded blood by factors
ranging from 3 to 10.The C9 and C10 1-alkenes showed an
increased accumulation in fat during the 3 days exposure
period, in contrast to the C8 1-alkene, where a
saturation seemed to occur. In fat, the concentrations
of all hydrocarbons were 4-20 times the concentrations
found in other organs. The 1-alkenes demonstrated high
concentrations in fat 12 hr after exposure. After the
recovery period, these concentrations were 31, 46, and
66% for C8, C9 and C10 1-alkenes, respectively, of the
concentrations on day 3.
Concentrations of individual 1-alkenes after the third daily 12 hr
exposure to 100 ppm and after 12 hr recovery (n=4)a
1-Octene
After
third
exposure
1-Nonene
After 12
hr
recovery
After
third
exposure
After 12
hr
recovery
1-Decene
After
third
exposure
After 12
hr
recovery
Blood
12.4
0.1
15.9
0.4
16.4
0.7
Brain
69.7
0.5
116.3
2.7
138.1
6.3
Liver
78.9
nd
130.4
1.1
192.8
4.0
Kidney
139.3
0.9
146.7
4.6
162.0
9.3
720
226
2068
953
2986
1971
Fat
a
All concentrations are in µmol/kg; nd = not detectable (limit of
detection varied between substances and organs: in blood and organs
generally within range from 0.1 – 1 µmol/kg; in fat from 5 – 10
µmol/kg)
Reliability:
Reference:
(1) Reliable without restrictions.
Zahlsen, K., I. Eide, A.M. Nilsen and O.G. Nilsen (1993)
Inhalation kinetics of C8-C10 1-alkenes and iso-alkanes
in the rat after repeated exposures. Pharmacology &
Toxicology 73:163-168.
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B.
Test Substance:
Nonene;
NONENE
ID: 27215-95-8
DATE: 28.04.2005
CAS No. 592-76-7, 1-Heptene ; CAS No. 2216-38-8, 2CAS No. 592-47-2, 3-Hexene; CAS No. 16746-85-3, 4-Ethyl1-Hexene; CAS No. 15870-10-7, 2-Methyl-1-Heptene, CAS
No. 3404-77-13, 3-dimethyl-1-hexene; 3-methyl-1-octene
(tested individually)
Method
Test Type
GLP
Year
Non-standard
in-vitro and in-vivo
No data available
Unknown
Method:
In-vitro: Incubation of hepatic microsomes from rats in
the presence of alkenes and NADPH with analysis for
presence of cytochrome P-450.
In-vivo: Phenobarbital-treated rats were injected i.p.
with 1-heptene, cis and trans 2-nonene, 4-ethyl-1hexene, and 3-methyl-1-octene at a dose of 400 µl/kg.
Four hrs after treatment, animals were sacrificed and
livers were analyzed for the presence of abnormal
hepatic pigments. These pigments have been shown to be
porphyrins derived from the prosthetic heme moiety of
inactivated P-450 enzymes.
Test Conditions:
Results:
destroyed in vitro,
In
vitro:
Hepatic
microsomal
cytochrome
P-450
was
in the presence of NADPH, by 4-ethyl-1-hexene, 3-methyl1-octene, and 1-heptene. The cis- and trans-2-nonenes
exhibited marginal destructive activity (10% loss after
30 minutes). No significant cytochrome P-450 loss was
observed after incubation with 2-methyl-1-heptene, 3,3dimethyl-1-hexene or 3-hexene, suggesting that steric
and electronic factors can suppress the destructive
interaction. The epoxides of 3 of the terminal olefin
substrates were synthesized and shown not to intervene
in destruction of the enzyme by the parent olefins.
In vivo: Hepatic green pigments were formed after
administration of 4-ethyl-1-hexene, 3-methyl-1-octene
and 1-heptene, indicating destruction of the P-450
enzyme. The cis- and trans-2-nonenes produced no
abnormal pigments.
Reliability:
Reference:
(1) Reliable without restrictions
Ortiz de Montellano, P.R., and Mico, G.A. (1980)
Destruction of cytochrome P-450 by ethylene and other
olefins. Mol. Pharmacol. 18(1)128-135.
5.2
Acute Toxicity
A.
Acute oral toxicity
336
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NONENE
ID: 27215-95-8
DATE: 28.04.2005
Test Substance
Identity (purity):
CAS No. 68526-55-6; Alkenes, C8-10, C9 Rich
Method
Method/guideline: NA
Type (test type): LD50
GLP:
Pre-GLP
Year:
1957
Species/Strain:
Holtzman Rat
Sex:
Males
No. of animals per
sex per dose:
5
Vehicle:
Route of
administration:
0.5% aqueous methyl cellulose solution
Test Conditions:
Dose levels tested were 10.0, 31.6, 100, 316, 1000, and
3160 µl/kg of body weight. The test material was
administered as a 0.1, 1.0, or 10% volume/volume
suspension in a 0.5% aqueous methyl cellulose solution.
The by-weight equivalent doses were 7.4, 23.3, 73.8,
233, 738, and 2332 mg/kg.
For the purpose of this
study, the test material was considered to be free of
impurities. Age of the test animals was not reported.
Body weights ranged from 104 to 117g at initiation of
the study. Control group and Treatment: For comparison,
untreated animals were necropsied at the end of the
study. Prior to dosage, food was withheld from the
animals for three hours. Following exposure, food and
water were available at all times. The animals were
observed for gross effects and mortality several times
on the day of exposure and once daily thereafter for 7
days. Gross necropsies were performed at the end of the
observation period. The statistics used to analyze the
data were not reported.
Oral gavage
Results:
Value:
Number of deaths
at each dose level:
Remarks:
Reliability:
guideline study
LD50 > 2332 mg/kg
There were no deaths
Animals in the high dose group appeared slightly
depressed the day after administration of the test
material. For several hours following exposure, the
animals in the high dose group also showed slight nasal
discharge. Otherwise, all animals appeared normal
throughout the study. Animals in all groups exhibited
normal weight gain. Gross necropsy did not reveal any
abnormalities other than slightly congested adrenal
glands in animals from the three higher dose levels
(233, 738, and 2332 mg/kg). Under the conditions of
this study, Alkenes, C8-10, C9 rich have a low order of
toxicity.
(1) Reliable without restrictions, comparable to a
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B.
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Flag:
Key study for SIDS endpoint.
References:
Hazleton Laboratories for Esso Research and Engineering
Co. (1957) Acute Oral Administration (unpublished
report).
ACUTE INHALATION TOXICITY
Test Substance
Identity (purity):
CAS No. 68526-55-6; Alkenes, C8-10, C9 Rich
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals
per sex:
NA
Inhalation LC50
Pre-GLP
1977
CD-1 Mice, Sprague-Dawley Rats, and Hartley Guinea Pigs
Males and females
Vehicle:
Route of
administration:
None
5/species
Inhalation (vapor )
Test Conditions:
For the purpose of this study, the test material was
considered to be free of impurities. Age of the test
animals was not reported. Body weights ranged from 24
to 32 g (mice), 228 to 321 g (rats), and 345 to 395 g
(guinea pigs) at initiation of the study. Animals were
given a single dose of test substance vapor at a
concentration of 11.1 mg/L (2150 ppm) for 6 hours. An
airstream was bubbled through the test material at a
rate of 33.1 L/min and passed through a 760 L test
chamber containing the test animals for a total of 6
hours. Control animals (5/sex/species) were exposed to
clean air at the same flow rate as the treated group.
Animals were observed throughout the exposure period for
signs of toxicity. Following the exposure period,
animals were observed for signs of toxicity daily for 14
days. Body weights were recorded on Days 0, 1, 2, 4, 7,
and 14. Gross necropsies were performed on any animals
that died during the study and all animals at the
completion of the study. The statistics used to analyze
the data were not reported.
Results:
Value:
LC50 > 11.1 mg/L (2150 ppm) for 6 h
guinea pigs
Number of deaths
at each dose level:
338
for rats, mice and
None of the animals died during the exposure
period or during the 14-day post-exposure
observation period.
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5. TOXICITY
Remarks:
NONENE
ID: 27215-95-8
DATE: 28.04.2005
A total of 132.1 g of test material was delivered to the
chamber during the course of the exposure. The overall
nominal concentration of the test substance was 11.1
mg/L. During the last 4 hours of exposure, mice
exhibited labored breathing patterns, rats exhibited
limb ataxia and generally lethargic behavior, and the
guinea pigs showed slight tremors. No similar signs
were noted in the control animals, indicating that these
effects were due to exposure to the test substance.
However, all of the symptoms subsided as the test
chamber was cleared with clean air. On day 4 of the
post-exposure observation period, one of the exposed
mice had tremors, but the symptoms only occurred on that
day and were not believed to be due to exposure to the
test substance. Signs of toxicity observed during the
14-day post-exposure period included dry rales, soft
stool, and nasal discharge in rats, however, these signs
were observed in both the exposed and control animals
and are not believed to be due to the test substance.
In both exposed animals and controls, there was a slight
decrease in body weight during the first few days
following exposure, after which the animals recovered
their normal body weight. There were no significant
differences observed between the exposed animals and the
test animals at necropsy. Although there was a high
incidence of kidney lesions in both groups of guinea
pigs, the rate was slightly higher in the exposed
animals than in the controls. However, the difference
was not statistically significant.
Under conditions of this study, Alkenes, C8-10, C9 rich
have a low order of acute inhalation toxicity in rats.
Reliability:
(1) Reliable without restrictions; comparable to a
guideline study.
Flag:
Key study for SIDS endpoint
References: Bio/dynamics, Inc. (1977) An Acute Inhalation Toxicity Study
of MRD-76-57 in the Mouse, Rat, and Guinea Pig.
Conducted for Exxon Research and Engineering Company
(unpublished report).
C.
Acute dermal toxicity
Test Substance
Identity (purity):
CAS No. 68526-55-6; Alkenes, C8-10, C9 Rich
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals
per sex per dose:
NA
LD50
Pre-GLP
1957
Albino rabbits
Males
4
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Vehicle:
NA
Route of
administration:
Test Conditions:
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Dermal
For the purpose of this study, the test material was
considered to be free of impurities. Age of the test
animals was not reported. Body weights ranged from 1.4
to 2.2 kg at initiation of the study. Animals received
single 24-hr exposures to test substance at
concentration levels of 73.8, 233, 738, and 2332 mg/kg.
There was no control group. Undiluted test material was
applied to clipped, intact abdominal skin under rubber
dental damming. The trunks of the animals were wrapped
securely with adhesive binder to prevent ingestion of
the test substance. Following the 24-hour exposure
period, the binder was removed and the exposed area was
sponged with warm water to remove residue. Animals were
observed for gross signs of irritation and systemic
toxicity daily for 7 days. Following the post-exposure
observation period, animals were weighed, sacrificed and
necropsied. Throughout the study, food and water were
available at all times and animals were housed
individually. The statistics used to analyze the data
were not reported.
Results:
Value:
LD50 > 2332 mg/kg
Number of deaths
at each dose level:
No mortalities were observed at any dose tested.
D.
Remarks:
The abdomens and binders were dry at the end of the
exposure period, indicating a good rate of dermal
absorption of the applied material. The test material
produced mild dermal irritation characterized by mild
erythema. Most of the animals showed slight atonia for
several days of the observation period and desquamation
during the final two days of the observation period.
Throughout the study, all animals exhibited normal
appearance and behavior. Body weight gain was normal
throughout the study. There were no significant
findings at necropsy. Alkenes, C8-10, C9 rich have a low
order of acute dermal toxicity.
Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
Hazleton Laboratories for Esso Research and Engineering
Co. (1957) Acute Dermal Application (unpublished
report).
Acute toxicity, other routes
No data available
5.3
340
Corrosiveness/Irritation
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5. TOXICITY
A.
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Skin Irritation/Corrosion
Test Substance
Identity (purity):
CAS No. 68526-55-6; Alkenes, C8-10, C9 rich
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals
per sex per dose:
4
Vehicle:
NA
Route of
administration:
Dermal
Test Conditions:
NA
Dermal irritation
Pre-GLP
1957
Albino rabbits
Males
Animals received single 24-hr exposures to test
substance at concentration levels of 73.8, 233, 738, and
2332 mg/kg. There was no control group. Undiluted test
material was applied to clipped, intact abdominal skin
under rubber dental damming. The trunks of the animals
were wrapped securely with adhesive binder to prevent
ingestion of the test substance. Following the 24-hour
exposure period, the binder was removed and the exposed
area was sponged with warm water to remove residue.
Animals were observed for gross signs of irritation and
systemic toxicity daily for 7 days. Following the postexposure observation period, animals were weighed,
sacrificed and necropsied. Throughout the study, food
and water were available at all times and animals were
housed individually.
Age of the test animals was not reported. Body weights
ranged from 1.4 to 2.2 kg at initiation of the study.
The statistics used to analyze the data were not
reported
Results:
Number of deaths
at each dose level:
No mortalities were observed at any dose tested.
Remarks:
The abdomens and binders were dry at the end of the
exposure period, indicating a good rate of dermal
absorption of the applied material. The test material
produced mild dermal irritation characterized by mild
erythema. Most of the animals showed slight atonia for
several days of the observation period and desquamation
during the final two days of the observation period.
Throughout the study, all animals exhibited normal
appearance and behavior. Body weight gain was normal
throughout the study. There were no significant
findings at necropsy.
Reliability:
(1) Reliable without restrictions
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5. TOXICITY
References:
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Hazleton Laboratories for Esso Research and Engineering
Co. (1957) Acute Dermal Application (unpublished
report).
B. Eye Irritation/Corrosion
Test Substance
Identity (purity):
CAS No. 68526-55-6; Alkenes, C8-10, C9 rich
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals
per dose:
Not specified
Ocular irritation
Pre-GLP
1962
Albino rabbits
Males and females
Vehicle:
Route of
administration:
None
Test Conditions:
The test material was administered as a single
instillation of 0.1 ml into the lower conjunctival sac
of the left eye of each animal. The upper and lower
lids were gently held together briefly to insure
adequate distribution of the test material. The
contralateral eye in each rabbit served as the control.
Throughout the study, food and water were available at
all times and animals were housed individually. The age
and weight of the test animals was not reported.
Statistics used to evaluate the data were not reported.
6
Ocular
The general health of each rabbit was examined for
irritation of the cornea, iris and conjunctiva at 1 and
4 hours and on days 1, 2, 3, 4 and 7. Ocular reactions
were graded according to the Draize Standard Eye
Irritation Grading Scale.
5.4
Results:
Maximum total Draize score = 6
Remarks:
There were no animal deaths prior to study termination.
The test material produced mild conjunctival irritation
which completely cleared within 24 hours.
Reliability:
(1) Reliable without restrictions
References:
Hazleton Laboratories for Esso Research and Engineering
Co. (1962) Acute Eye Application - Rabbits (unpublished
report).
Skin Sensitisation
No data available
342
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5.5
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Repeated Dose Toxicity
No data available
5.6
Genetic Toxicity in vitro
A.
Gene Mutation
Test Substance
Identity (purity):
CAS No. 68526-55-6; Alkenes, C8-10, C9 Rich
Method
Method/guideline: EPA OTS 798.5265
Type:
in-vitro bacterial reverse mutation – Ames Assay
System of testing:
bacterial
GLP:
Yes
Year:
1991
Species/Strain:
Salmonella typhimurium TA98, TA100, TA1535, TA1537,
TA1538
Metabolic activation:
With and without S9 fraction of livers from rats
pretreated with Aroclor 1254
Concentrations tested: 10, 32, 100, 320 and 1000 µg/plate (Doses were
based on a pre-test for toxicity)
Statistical Methods:
The mean plate count and standard deviation for
each dose point were determined. Any test value that
was equal to or greater than three times the mean value
of the concurrent vehicle control was considered to be a
positive dose.
Test Conditions:
For the purpose of this study, the test material was
considered to be free of impurities. DMSO was the
vehicle for controls. Ethanol was the vehicle for the
test material. Vehicle controls were dosed at 0.1
ml/plate ethanol and 0.1 ml/plate DMSO. The positive
controls were 2-Aminoanthracene, 9-Aminoacridine, 2Nitrofluorene, N-methyl-N-nitro-N-nitrosoguanidine.
Three plates were prepared for each dose level.
To determine the highest dose of compound to be used in
the assay, a dose range from 1 to 10,000 µg/plate was
tested. Only strain TA98 was used. The toxicity
pretest was repeated and toxicity was observed as a
reduction in both background and revertant colony
counts. 1000 µg/plate was selected as the high dose to
be used on the mutagenesis assay for both the saline
(-S9) and the +S9 treated plates.
A repeat assay was performed in order to verify the data
produced in the initial assay.
Results
Cytotoxic conc.: 1000 µ g/plate
Genotoxic effects:
Negative with and without metabolic activation
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NONENE
ID: 27215-95-8
DATE: 28.04.2005
Remarks:
The test material did not produce any evidence of
mutagenicity.
In the initial and repeat assays,
neither a positive response nor a dose related increase
in revertants was observed for any of the tester strains
either in the presence or absence of metabolic
activation. All positive and negative controls responded
in a manner consistent with data from previous assays.
Under conditions of this assay, the test material was
not mutagenic for the Salmonella tester strains at doses
up to and including 1000 µg/plate.
Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint.
References:
EBSI (1991) Microbial Mutagenesis in Salmonella:
Mammalian Microsome Plate Incorporation Assay
(unpublished report).
Chromosomal Aberration
No data available
5.7
Genetic Toxicity in vivo
Test Substance
Identity (purity):
CAS No. 68526-55-6; Alkenes, C8-10, C9 Rich
Method
Method/guideline: EPA OTS 798.5395
Type:
Micronucleus Assay
GLP:
Yes
Year:
1991
Species:
Mouse
Strain:
B6C3F1
Sex:
Male and female
Route of
Administration:
Oral gavage
Concentration levels:
1.25, 2.5, and 5 g/kg. Concentrations were based on the
results of a range-finding study.
Exposure period:
Single dose
Statistical methods:
Analysis of variance (ANOVA), Duncan's Multiple Range
Test; sexes were analyzed separately
Test Conditions:
344
For the purpose of this study, the test material was
considered to be free of impurities. The test animals were
approximately 8 to 9 weeks of age and weighed between 21 and
29 g at the start of the study. The test material and the
carrier (corn oil) were administered by oral gavage as single
doses to 15 mice/sex/dose (not fasted). The positive control,
cyclophosphamide, was administered by intraperitoneal
injection as a single dose of 40 mg/kg in reagent grade water
at the same volume as the test material. Animals from the
appropriate groups (5 animals/sex/group) were sacrificed by
carbon dioxide asphyxiation at appropriately 24, 48 and 72
hours after dose administration. Animals dosed with
cyclophosphamide were sacrificed at 24 hours only.
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Immediately upon sacrifice, the bone marrow was removed from
both femurs of each animal, resuspended in fetal bovine serum,
and prepared for microscopy. Samples were blindly coded and
stained with acridine orange. 1000 polychromatic erythrocytes
(PCE) from each animal were examined for micronuclei, and the
ratio of PCE's to NCE's (normochromatic erythrocytes) was
determined for each animal by counting 1000 erythrocytes
(PCE's and NCE's)
Results
Effect on
PCE/NCE ratio:
The test material induced a significant decrease in
polychromatic erythrocytes in both males and females at 48 and
72 hours when treated with the high dose (5.0 g/kg). In
addition, the mean percent of PCE's for the 5.0 g/kg dose
group for both sexes at 48 and 72 hours were statistically
different from the carrier controls. The mean percent of
PCE's for the female 2.5 g/kg dose group at 48 hours was also
statistically different from the carrier control.
Genotoxic effects:
Negative.
NOEL:
5.0
Remarks:
There was no statistically significant increase in the mean
number of micronucleated polychromatic erythrocytes. Thus,
the test material was not clastogenic. The positive control
induced a statistically significant increase in the mean
number of micronucleated polychromatic erythrocytes, which
indicates that the positive control responded appropriately
and is clastogenic.
These observations indicate that the
test material was toxic to mouse bone marrow at higher
concentrations, but did not induce micronuclei formation.
Under conditions of this assay, the test material is not
considered clastogenic in mice up to and including 5.0 g/kg
when evaluated up to 72 hours after dose administration.
Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
Exxon Biomedical Sciences, Inc. (1991) In vivo Mammalian Bone
Marrow Micronucleus Assay: Oral Gavage Method (unpublished
report).
5.8
g/kg
Carcinogenicity
No data available
5.9
Reproductive Toxicity (including Fertility and Developmental Toxicity).
A.
Fertility
No data available
UNEP PUBLICATIONS
345
OECD SIDS
5. TOXICITY
B.
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Developmental Toxicity
No data available
5.10
Other Relevant Information
Aspiration
Test Substance
Identity:
C6-C18 even numbered alpha olefins
Method
Type:
Species:
Strain:
Sex:
Route of
Administration:
Dose:
aspiration
0.2 mL
Results:
See Remarks
Remarks:
C6-C18 alkenes (even carbon numbers, alpha olefins), source
and purity unspecified, were assessed for aspiration hazard in
an animal study using Wistar rats. Four or five males were
used per test article. Two-tenths mL of the test material was
placed in the mouths of rats that had been anesthetized to the
point of apnea in a covered wide mouth gallon jar containing
about 1 inch of wood shavings moistened with approximately 1
ounce of anhydrous diethyl ether.
As the animals began to
breathe again, the nostrils were held until the test material
had been aspirated or the animal regained consciousness. All
alkenes tested except 1- hexene were aspirated into the lungs.
1-Hexene was difficult to dose because of its volatility. Two
animals survived because the hydrocarbon “boiled” out of the
mouth before it was aspirated. All animals exposed to C8 to C14
died within 24 hours. With C16 and C18, there was only one
death (C18). Lung weights were increased in alkenes-treated
animals compared with controls. The affected animals showed
chemical pneumonitis. The report concluded that there is a
significant aspiration hazard with C6 to C14 alkenes.
Reference:
Gerarde, H.W. (1963) Toxicological Studies on
Archives of Environmental Health 6:329-341.
Other:
This study was included in the dossier for 1-decene at SIAM
11.
5.11
General toxicity – aspiration
Rat
Wistar
Male
Experience with Human Exposure
No data available
346
UNEP PUBLICATIONS
Hydrocarbons.
OECD SIDS
6. REFERENCES
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Adema, D.M.M. and Bakker, G.H. (1985) Aquatic toxicity of compounds that may be
carried by ships [MARPOL 1973; Annex II]. TNO report R 85/217, The Hague
(unpublished report).
American Chemistry Council’s Higher Olefins Panel (2002) Personal communication.
Bio/dynamics, Inc.
(1977) An Acute Inhalation Toxicity Study of MRD-76-57 in
the Mouse, Rat, and Guinea Pig. Conducted for Exxon Research and Engineering
Company (unpublished report).
Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J. Beaumann and N. Tirado
(1994) Group contribution method for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.
Daubert TE and Danner RP (1989) as citeded in EPIWIN (2000). Estimation Program
Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics, U.S.A.
EBSI (1991) Microbial Mutagenesis in Salmonella:
Incorporation Assay (unpublished report).
Mammalian
Microsome
Plate
Enichem S.p.A Milan , manufacturer’s data (cited in IUCLID)
EPIWIN (2000). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
Exxon Biomedical Sciences, Inc.
(1991) In vivo Mammalian
Micronucleus Assay: Oral Gavage Method (unpublished report).
Bone
Marrow
Exxon Biomedical Sciences, Inc. (1996)
Fish, Acute Toxicity Test. Study
#119158. Exxon Biomedical Sciences, Inc., East Millstone, NJ, USA (unpublished
report).
Exxon Biomedical Sciences, Inc. (1996)
Fish, Acute Toxicity Test. Study
#119258. Exxon Biomedical Sciences, Inc., East Millstone, NJ, USA (unpublished
report).
Exxon Biomedical Sciences, Inc. (1997)
Ready Biodegradability: OECD 301F
Manometric Respirometry. Study #119294A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).
ExxonMobil (2004) Nonene Datasheet (unpublished data)
Gerarde, H.W. (1963) Toxicological
Environmental Health 6:329-341.
Studies
on
Hydrocarbons.
Archives
of
Gould, E.S. (1959) Mechanism and Structure in Organic Chemistry, Holt, Reinhart
and Winston, New York, NY, USA.
Hansch C et al. (1995) as cited in EPIWIN (2000). Estimation Program Interface
for Windows, version 3.11. EPI Suite™ software, U.S. Environmental Protection
Agency, Office of Pollution Prevention and Toxics, U.S.A.
Harris J C (1982a). Rate of Aqueous Photolysis. Chapter 8 in: W. J. Lyman, W. F.
Reehl, and D. H. Rosenblatt, eds., Handbook of Chemical Property Estimation
Methods, McGraw-Hill Book Company, New York, USA
Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in: W.J. Lyman, W.F.
Reehl, and D.H. Rosenblatt, eds., Handbook of Chemical Property Estimation
Methods, McGraw-Hill Book Company, New York, NY, USA.
Hazleton Laboratories for Esso Research and Engineering Co. (1957) Acute Oral
Administration (unpublished report).
UNEP PUBLICATIONS
347
OECD SIDS
6. REFERENCES
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Hazleton Laboratories for Esso Research and Engineering Co. (1957) Acute Dermal
Application (unpublished report).
Hazleton Laboratories for Esso Research and Engineering Co. (1962) Acute Eye
Application - Rabbits (unpublished report).
Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M. Meylan, A.E. Hueber, J.A.
Beauman and M.E. Larosche (1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data. Environ. Toxicol. Chem.
11:593-603.
Joback, K.G. 1982. A Unified Approach to Physical Property Estimation Using
Multivariate Statistical Techniques.
In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E. Poling, Eds.
Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry and Physics. 79th ed. Boca
Raton, FL: CRC Press Inc., p. 3-225.
Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds. (1990) Handbook of Chemical
Property Estimation. Chapter 14. Washington, D.C.: American Chemical Society.
Meylan, W. and P. Howard (1995) Atom/fragment contribution method for estimating
octanol-water partition coefficients. J. Pharm. Sci. 84:83-92.
Meylan, W., P. Howard and R. Boethling (1996) Improved method for estimating
water solubility from octanol/water partition coefficient. Environ. Toxicol.
Chem. 15:100-106.
Meylan, W.M. and Howard, P.H.
(1993)
Computer estimation of the atmospheric
gas-phase reaction rate of organic compounds with hydroxyl radicals and ozone.
Chemosphere 26: 2293-99
Meylan, W., P.H. Howard and R.S. Boethling (1992) Molecular topology/fragment
contribution method for predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7
Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved method for estimating
bioconcentration
/
bioaccumulation
factor
from
octanol/water
partition
coefficient. Environ. Toxicol. Chem. 18(4): 664-672.
Neely and Blau (1985) Environmental Exposure from Chemicals, Volume 1, p. 31,
CRC Press.
Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G. E. Blau, eds.
Environmental Exposure from Chemicals. Vol I., pp. 157-173. CRC Press, Boca
Raton, FL, USA.
NLM (2003). TRI (Toxic Release Inventory). U.S. National Library of Medicine,
Specialized Information Services, National Institutes of Health, Department of
Health and Human Services. September 2003 (http://toxnet.nlm.nih.gov).
Ortiz de Montellano, P.R., and Mico, G.A. (1980) Destruction of cytochrome P-450
by ethylene and other olefins. Mol. Pharmacol. 18(1)128-135.
SRI (2001). Chemical Economics Handbook. SRI International. Menlo Park, CA.
August, 2001.
Stein, S. and R. Brown (1994) Estimation of normal boiling points from group
contributions (1994) J. Chem. Inf. Comput. Sci. 34: 581-587.
Trent University (2004). Level I Fugacity-based Environmental Equilibrium
Partitioning Model (Version 3.00) and Level III Fugacity-based Multimedia
Environmental Model (Version 2.80.1. Environmental Modeling Centre, Trent
University, Peterborough, Ontario. (Available at http://www.trentu.ca/cemc)
348
UNEP PUBLICATIONS
OECD SIDS
6. REFERENCES
NONENE
ID: 27215-95-8
DATE: 28.04.2005
Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and H. Loonen (2000)
Predicting ready biodegradability in the MITI Test. Environ. Toxicol. Chem.
(accepted for publication)
U.S. Coast Guard
Department of Transportation. CHRIS
Response Information System Washington, DC, information
website: http://www.chrismanual.com/default.htm.
– Chemical Hazards
last updated 2002,
Weber, R.C. et al. (1981)
Vapor Pressure Distribution of Selected Organic
Chemicals. USEPA –600/2-81-021, Cincinnati, OH: USEPA pp.39; EPIWIN (2000).
Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software,
U.S. Environmental Protection Agency, Office of Pollution Prevention
and
Toxics, U.S.A.
Zahlsen, K., I. Eide, A.M. Nilsen and O.G. Nilsen (1993) Inhalation kinetics of
C8-C10 1-alkenes and iso-alkanes in the rat after repeated exposures.
Pharmacology & Toxicology 73:163-168
Zepp, R. G. and D. M. Cline (1977). Rates of Direct Photolysis in the Aqueous
Environment, Environ. Sci. Technol., 11:359-366.
UNEP PUBLICATIONS
349
OECD SIDS
DECENE
SIDS DOSSIER
ON THE HPV CHEMICAL
DECENE
CAS No.: 25339-53-1
Contains Robust Summaries for the Following Substances:
CAS No. 25339-53-1, Decene
CAS No. 872-05-9, 1-Decene
CAS No. 68526-56-7; Alkenes, C9-11, C10-Rich
CAS No. 85535-87-1, Alkenes C10-13
C10-13 Internal olefins (SHOP Olefins 103PQ11/Olefins 103 PQ11/SHOP Olefins 103)
Sponsor Country: USA
Date of submission to OECD:
350
April 28, 2005
UNEP PUBLICATIONS
OECD SIDS
1. GENERAL INFORMATION
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Substance Information
A.
CAS Number:
25339-53-1
B.
Name (OECD):
Decene
C.
Name (IUPAC):
Decene
D.
CAS Descriptor:
Decene
E.
EINECS Number:
246-870-7
F.
Molecular Formula:
C10 H20
G.
Structural Formula:
CH3-CH=CH-(CH2)4-CH3
Sponsor Country:
United States of America
Lead Organisation:
Name of Lead Organisation:
Contact person:
Address:
• Street:
• Postal code:
• Town:
• Country:
• Tel:
United States of America Environmental
Protection Agency
Mr. Oscar Hernandez, Director
U.S. Environmental Protection Agency
Risk Assessment Division (7403 M)
1200 Pennsylvania Avenue, NW
20460
Washington, D.C. 20460
United States of America
(202) 564-7461
Name of Responder (Industry Consortium):
Name:
Contact:
Address:
• Street:
• Postal code:
• Town:
• Country:
• Tel:
• Fax:
American Chemistry Council (Higher Olefins Panel)
Mr. W. D. Anderson, Higher Olefins Panel Manager
1300 Wilson Boulevard
22209
Arlington, VA
United States of America
(703)741-5616
(703) 741-6091
Details on Chemical Category
This profile includes an evaluation of SIDS-level testing data, using a category
approach, with six individual internal olefins (C6 – C10 and C12), a C10 – 13
internal olefins blend and two linear alpha olefins (1-hexadecene and 1octadecene), all of which are monoolefins. The internal olefins are
predominantly linear, but may contain small amounts of branched materials. For
the purposes of the ICCA HPV Program, the category was defined as “Higher
Olefins.” The category designation was based on the belief that, within the C6
to C18 boundaries identified,
internalizing the location of the carbon-carbon
double bond, increasing the length of the carbon chain, and/or changing the
UNEP PUBLICATIONS
351
OECD SIDS
1. GENERAL INFORMATION
DECENE
ID: 25339-53-1
DATE: 28.04.2005
carbon skeleton’s structure from linear to branched does not change the toxicity
profile, or changes the profile in a consistent pattern from lower to higher
carbon numbers. This expectation is supported by a large amount of existing data
for alpha and internal olefins with carbon numbers ranging from C6 to C24. The
members of the category are:
Hexene
Heptene
Octene
Nonene
Decene
Dodecene
Alkenes, C10-C13
1-Hexadecene
1-Octadecene
CAS # 25264-93-1
CAS # 25339-56-4
CAS # 25377-83-7
CAS # 27215-95-8
CAS # 25339-53-1
CAS # 25378-22-7
CAS# 85535-87-1
CAS # 629-73-2
CAS # 112-88-9
1.1
General Substance Information
A.
Type of Substance
Element [ ]; Inorganic [ ]; Natural substance [ ]; Organic [X ];
Organometallic [ ];
Petroleum product [ ]
B.
Physical State (at 20°C and 1.013 hPa)
Gaseous [ ]; Liquid [X ]; Solid [ ]
C.
Purity: >94%
1.2
Impurities
Chemical Name:
≤5% C9 and lower internal olefins
Chemical Name:
≤3% C11and higher internal olefins
1.3
Additives
None
1.4 Synonyms
Some synonyms are:
1.5
n-Decene; decene isomers, decylene, decenes
Quantity
Remarks:
5,000,000-10,000,000 tonnes; 1999 figures for UK
Reference:
Shell Chemicals UK Ltd, Chester
Remarks:
U.S. production volume for decene was 10 – 50 million pounds
reported for 2002 by members of the American Chemistry Council’s
Higher Olefins Panel.
352
UNEP PUBLICATIONS
OECD SIDS
1. GENERAL INFORMATION
Reference:
American Chemistry Council’s Higher Olefins Panel (2002)
1.6
Use Pattern
A.
General Use Pattern
Type of Use:
Category:
(a) Main
Industrial
Use
Use in closed systems
Chemical industry
Intermediate
Remarks:
(b)
Main
Industrial
Use
Remarks:
B.
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Intermediate in the manufacture of plasticizer and
detergent alcohols, surfactants, nonionics,
polyalphaolefins and other additives for
lubricants, amine oxides and amines
Non-dispersive use
Chemical industry – chemicals used in synthesis
Intermediate
Intermediate in the manufacture of plasticizer and
detergent alcohols, surfactants, nonionics,
polyalphaolefins and other additives for
lubricants, amine oxides and amines
Uses In Consumer Products
Chemical not present in consumer products as marketed.
1.7
Sources of Exposure
Remarks:
This product is produced commercially in closed systems and is used
primarily as an intermediate in the production of other chemicals.
No non-intermediate applications have been identified. Any
occupational exposures that do occur are most likely by the
inhalation and dermal routes. It is a common practice to use
personal protective equipment. In the case of dermal exposures,
protective gloves would be worn due to the mildly irritating
properties of this class of chemicals (ACC Higher Olefins Panel).
Results from modelled data suggest that on-site waste treatment
processes are expected to remove this substance from aqueous waste
streams to the extent that it will not be readily detectable in
effluent discharge (EPIWIN, 2000b). This substance is not on the US
Toxic Release Inventory (TRI) list (NLM, 2003). This olefin will not
persist in the environment because it can be rapidly degraded
through biotic and abiotic processes.
Reference:
American Chemistry Council’s Higher Olefins Panel (2002)
1.8
Additional Information
A.
Classification and Labelling
Classification
UNEP PUBLICATIONS
353
OECD SIDS
1. GENERAL INFORMATION
Type:
Category of danger:
R-phrases:
DECENE
ID: 25339-53-1
DATE: 28.04.2005
as in Directive 67/548/EEC
Flammable, Harmful, Irritant, Dangerous to the
environment
(R10) Flammable
(R38) Irritating to skin
(R51/53) Toxic to aquatic organisms, may cause
long-term adverse effects in the aquatic
environment
(65) Harmful: may cause lung damage if swallowed
Labelling
B.
Type:
Specific limits:
Symbols:
R-phrases:
as in Directive 67/548/EEC
no
Xn, N
(R10) Flammable
(R38) Irritating to skin
(R51/53) Toxic to aquatic organisms, may cause longterm adverse effects in the aquatic environment
(R65) Harmful: may cause lung damage if swallowed
S-phrases:
(24) Avoid contact with skin
(29) Do not empty into drains
(33) Take precautionary measures against static
discharges
(S61) Avoid release to the environment. Refer to
special instructions/Safety data sheets
(S62) If swallowed, do not induce vomiting: seek medical
advice immediately and show this container or label
Occupational Exposure Limits
Exposure Limit Value
Type:
Value:
None established
Short Term Exposure Limit Value
Value:
C.
OPTIONS FOR DISPOSAL
Remarks:
D.
Biotreater, burned for fuel
Last Literature Search
Type of search:
Date of search:
Remark:
354
None established
Internal and external
October 2003
Medline
IUCLID
TSCATS
ChemIDplus
AQUIRE - ECOTOX
UNEP PUBLICATIONS
OECD SIDS
1. GENERAL INFORMATION
E.
DECENE
ID: 25339-53-1
DATE: 28.04.2005
OTHER REMARKS
ADR
Class:
Packing Group:
Hazard identification no.
UN Number:
Danger label
(Primary risk)
Proper Shipping Name:
3
3
30
3295
3
Hydrocarbons, Liquid, N.O.S. (DECENE)
UNEP PUBLICATIONS
355
OECD SIDS
2. PHYSICO-CHEMICAL DATA
2.1
Melting Point
A.
Test Substance
B.
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Identity:
CAS No. 872-05-9, 1-Decene
Method
GLP:
Year:
No data
No data
No data
Results:
Melting point
Value:
-66.3 °C
Decomposition:
Sublimation:
No data
No data
Reliability:
(2) Reliable with restrictions. The result is
experimental data as cited in the EPIWIN database. These
data were not reviewed for quality.
Flag:
References:
Key study for SIDS endpoint
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method:
GLP:
Year:
Remarks:
ASTM D97
Yes [ ] No[X ]
1978
value is for pour point
Results:
Melting point
Value:
-66 °C:
Decomposition:Yes [ ] (temperature °C) No [X ] Ambiguous [ ]
Sublimation: Yes [ ] No [X ] Ambiguous [ ]
C.
Reliability:
(4) Not assignable. These data were not reviewed for
quality.
References:
Enichem Augusta Ind. Technical Bulletin
Remarks:
IUCLID cites Shell Chemicals UK Ltd, Chester
Test Substance
Identity:
Method/
guideline followed:
GLP:
356
CAS No. 25339-53-1, Decene
Calculated value using MPBPWIN version 1.40, a
subroutine of the computer program EPIWIN version
3.10
Not applicable
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
Year:
Test Conditions:
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Not applicable
Melting Point is calculated by the MPBPWIN subroutine,
which is based on the average results of the methods of
K. Joback, and Gold and Ogle, and chemical structure.
Joback's Method is described in Joback, (1982). The Gold
and Ogle Method simply uses the formula Tm = 0.5839Tb,
where Tm is the melting point in Kelvin and Tb is the
boiling point in Kelvin. Program used the structure for
1-decene.
Results
Melting point
value in °C:
-45.48°C
Reliability:
(2) Reliable with restrictions. The result is
calculated data based on chemical structure as modeled
by EPIWIN.
Flag:
Key study for SIDS endpoint
References:
Joback, K.G. 1982. A Unified Approach to Physical
Property Estimation Using Multivariate Statistical
Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E.
Poling, Eds.
EPIWIN (2000a). Estimation Program Interface for
Windows, version 3.10. Syracuse Research Corporation,
Syracuse, NY. USA.
2.2
Boiling Point
A.
Test Substance
Identity:
Method
CAS No. 25339-53-1, Decene
Method:
GLP:
Year:
No data
No data
No data
Results
Boiling point value:
Pressure:
Pressure unit:
170°C
1013
hPa
Decomposition:
No data
Reliability:
(2) Reliable with restrictions. The result is
experimental data as cited in the EPIWIN database. These
data were not reviewed for quality.
Flag:
Key study for SIDS endpoint.
References:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
UNEP PUBLICATIONS
357
OECD SIDS
2. PHYSICO-CHEMICAL DATA
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
B.
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10
Not applicable
Not applicable
Boiling Point is calculated by the MPBPWIN subroutine,
which is based on the method of Stein and Brown (1994).
Program used the structure for 1-decene.
Results
Boiling point
value in °C:
Pressure:
Pressure unit:
162.99°C
1013
hPa
Reliability:
(2) Reliable with restrictions. The result is
calculated data based on chemical structure as modeled
by EPIWIN.
References:
Stein, S. and R. Brown (1994) Estimation of normal
boiling points from group contributions (1994) J. Chem.
Inf. Comput. Sci. 34: 581-587.
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
2.3
Density (Relative Density)
A.
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Method:
GLP:
ISO 3675
Yes [ ] No [X ] ? [ ]
Results
Type:
Value:
Temperature:
358
740 kg/m3
(20°C)
Reliability:
(2) Reliable with restrictions: Reliable source but
data were not reviewed for quality.
Reference:
Shell Chemicals UK Ltd, Chester as cited in IUCLID
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
B.
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Test Substance
Identity:
4-Decene, 5-Decene or CAS No. 872-05-9, 1-Decene
Method
Method:
GLP:
No data
No data
Results
Type:
Value:
Temperature:
0.74 g/cm3
(20°C)
Reliability:
(2) Reliable with restrictions: Reliable secondary
source but data were not reviewed for quality.
Reference:
Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry
and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., p.
3-181.
2.4
Vapour Pressure
A.
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Method:
GLP:
No data
Yes [X ] No[ ]
Results
Vapour Pressure value: 1.33 hPa
Temperature:
14.7O C
Decomposition:
Yes [ ] No [x ] Ambiguous [ ]
B.
Reliability:
(2) Reliable with restrictions: These data were
not reviewed for quality.
References:
Verschueren, K. (1983) Handbook of environmental data on
organic chemicals, 2nd ed. Van Nostrand Reingold, NY. P
448.
Remarks:
IUCLID cites Shell Chemicals UK Ltd, Chester
Test Substance
Identity:
CAS No. 872-05-9, 1-Decene
Method
Method/
guideline followed:
GLP:
Year:
No data
No data
No data
UNEP PUBLICATIONS
359
OECD SIDS
2. PHYSICO-CHEMICAL DATA
Test Conditions:
DECENE
ID: 25339-53-1
DATE: 28.04.2005
No data
Results
Vapor Pressure
Value:
Temperature:
Remarks:
2.23 hPa
25°C
Reported as 1.67 mm Hg (25°C)
Reliability:
(2) Reliable with restrictions. The result is measured
data as cited in the EPIWIN database. These data were
not reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
Daubert, T.E. and R.P. Danner (1989) Physical and
Thermodynamic Properties of Pure Chemicals: Data
Compilation; Design Institute for Physical Property
Data, American Institute of Chemical Engineers.
Hemisphere Pub. Corp., New York, NY
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
C.
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
Calculated value using the computer program EPIWIN
v. 3.10, MPBPWIN v 1.40
Not applicable
Not applicable
Vapor Pressure is calculated by the MPBPWIN subroutine,
which is based on the average result of the methods of
Antoine and Grain. Both methods use boiling point for
the calculation. The Antoine Method is described by
Lyman et al., 1990. A modified Grain Method is
described by Neely and Blau, 1985.
The calculation
used an experimental value for BP of 170 °C from EPIWIN
database.
Results
Vapor Pressure
value:
Temperature (°C ):
Remarks:
Reliability:
360
2.79 hPa
25°C
Reported as 2.09 mm Hg
(2) Reliable with restrictions. The result is
calculated data as modeled by EPIWIN using measured data
as cited in the EPIWIN database. These data were not
reviewed for quality.
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Flag:
Key study for SIDS endpoint
References:
Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds.
(1990) Handbook of Chemical Property Estimation. Chapter
14. Washington, D.C.: American Chemical Society.
Neely and Blau (1985) Environmental Exposure from
Chemicals, Volume 1, p. 31, CRC Press.
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
2.5
Partition Coefficient (log10Kow)
A.
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
GLP:
Year:
No data
1979
Results
B.
Log Kow:
Temperature:
Remarks:
5.4
20 OC
Material is not miscible with water
Reliability:
(4) Not assignable.
for quality.
These data were not reviewed
References:
Hansch C. and A. Leo (1979) Substituent constants for
correlation analysis in chemistry and biology, Wiley,
New York.
Remarks:
IUCLID cites Shell Chemicals UK Ltd, Chester
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Method:
GLP:
Year:
Test Conditions:
Calculated value using the computer program EPIWIN
version 3.10, KOWWIN v 1.66
Not applicable
Not applicable
Octanol / Water Partition Coefficient is calculated by
the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995). Program used the structure for 1-decene.
Results
Log Kow:
5.12
UNEP PUBLICATIONS
361
OECD SIDS
2. PHYSICO-CHEMICAL DATA
Temperature (°C ):
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Not applicable
Reliability:
(2) Reliable with restrictions. The result was
calculated based on chemical structure as modeled by
EIPWIN.
Flag:
Key study for SIDS endpoint
Reference:
Meylan, W. and P. Howard (1995) Atom/fragment
contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.
EPIWIN (2000a). Estimation Program Interface for
Windows, version 3.10. Syracuse Research Corporation,
Syracuse, NY. USA.
C.
Test Substance
Identity:
CAS No. 872-05-9, 1-Decene
Method
GLP:
Year:
No data
No data
Results
2.6.1
A.
Log Kow:
Temperature:
5.7
Reliability:
(2) Reliable with restrictions. The result is
experimental data as cited in the EPIWIN database. These
data were not reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
American Petroleum Institute (1994) as cited in EPIWIN
(2000b). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.
Water Solubility (including *Dissociation Constant).
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Method/
guideline followed:
Calculated value using the computer program
EPIWIN, WSKOW v 1.41
GLP:
Not applicable
Year:
Not applicable
Test Conditions:
362
Water Solubility is calculated by the WSKOW subroutine,
which is based on a Kow correlation method described by
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Meylan et al., 1996. The calculation used an
experimental Log Kow of 5.70 (for 1-decene).
Results
Value(mg/L) at
temperature ( °C):
0.3288. mg/L (25°C)
Reliability:
(2) Reliable with restrictions. The result was
calculated.
Flag:
Key study for SIDS endpoint
References:
Meylan, W., P. Howard and R. Boethling (1996) Improved
method for estimating water solubility from
octanol/water partition coefficient. Environ. Toxicol.
Chem. 15:100-106.
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
B.
Test Substance
Identity:
CAS No. 872-05-9, 1-Decene
Method
Method/
guideline followed:
GLP:
Year:
Not reported
No data
Test Conditions:
No data
Results
Value (mg/L)
at temperature (°C):
C.
0.57 mg/L (25°C)
Reliability:
(2) Reliable with restrictions. Experimental result as
cited in the EPIWIN database. These data were not
reviewed for quality.
References:
Kertes, A.S. (1989) Selective transport of hydrocarbons
in the unsaturated zone due to aqueous and vapor phase
partitioning . Water Resources Research 23, 1926-38;
EPIWIN. 2000. Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
Test Substance
Identity:
CAS No. 872-05-9, 1-Decene
Method
Method/
guideline followed:
GLP:
Not reported
No
UNEP PUBLICATIONS
363
OECD SIDS
2. PHYSICO-CHEMICAL DATA
Year:
Test Conditions:
DECENE
ID: 25339-53-1
DATE: 28.04.2005
2004
An equilibrium study was performed to measure the
solubility of 1-decene in the test medium for a Daphnia
magna Reproduction Test conducted in accord with OECD
211 Test Guideline under identical conditions used to
generate the stock exposure solution for the in-life
phase of the reproduction study. A “gas saturation”
method was employed to determine the feasibility and
duration required for the test substance to achieve an
equilibrium concentration using the following procedure:
The test substance was aerated and the vapor passed into
an aspirator bottle containing vehicle/dilution medium.
1-Decene saturated vapor passed through an air stone
near the bottom of the aspirator bottle providing
maximum contact between the test substance in the vapor
phase and vehicle/dilution medium. The method of
analysis was automated static headspace gas
chromatography with flame ionization detection (HS GCFID). Samples were analyzed using a Perkin-Elmer HS 40
Headspace Sampler connected to a Perkin Elmer AutoSystem
XL Gas Chromatograph with flame ionization detection.
Analytical standards were prepared and analyzed at
concentrations bracketing the sample concentrations.
Results
Value (mg/L)
at temperature (°C):
0.210 mg/L (25°C)
Reliability:
(1)
Reliable without restrictions.
Flag:
Key study for SIDS endpoint
References:
ExxonMobil Biomedical Sciences, Inc. (2004). Daphnia
magna Reproduction Test with 1-DECENE. Study # 180446.
Performed at ExxonMobil Biomedical Sciences, Inc.
Annandale, NJ, for the American Chemistry Council.
2.6.2 Surface tension
No data available
2.7
Flash Point (Liquids)
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Method:
GLP:
ISO 2719
No data
Results
Value:
364
45°C
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Type of test:
Closed cup [ X]; Open cup [ ]; Other [ ]
Reliability:
(4)
Not assignable. These data were not reviewed for quality.
Reference:
Remark:
2.8
IUCLID cites Shell Chemicals UK Ltd, Chester
Auto Flammability (Solids/Gases)
No data available
2.9
Flammability
No data available
2.10
Explosive Properties
No data available
2.11
Oxidising Properties
No data available
2.12
Oxidation-Reduction Potential
No data available
UNEP PUBLICATIONS
365
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
3.1
Stability
A.
Photodegradation
(1)
Test Substance
Identity:
DECENE
ID: 25339-53-1
DATE: 28.04.2005
CAS No. 25339-53-1, Decene
Method
Method/
guideline followed:
Other: Technical discussion
Type:
GLP:
Year:
water
Not applicable
Not applicable
Test Conditions:
Not applicable
Results
Direct photolysis:
In the environment, direct photolysis will
not significantly contribute to the degradation of
constituent chemicals in the Higher Olefins
Category.
Remarks:
The direct photolysis of an organic molecule
occurs when it absorbs sufficient light energy to
result in a structural transformation (Harris,
1982a). The reaction process is initiated when
light energy in a specific wavelength range
elevates a molecule to an electronically excited
state. However, the excited state is competitive
with various deactivation processes that can
result in the return of the molecule to a non
excited state.
The absorption of light in the ultra violet (UV)visible range, 110-750 nm, can result in the
electronic excitation of an organic molecule.
Light in this range contains energy of the same
order of magnitude as covalent bond dissociation
energies (Harris, 1982a). Higher wavelengths (e.g.
infrared) result only in vibrational and
rotational transitions, which do not tend to
produce structural changes to a molecule.
The stratospheric ozone layer prevents UV light of
less than 290 nm from reaching the earth's
surface. Therefore, only light at wavelengths
between 290 and 750 nm can result in photochemical
transformations in the environment (Harris,
1982a). Although the absorption of UV light in the
290-750 nm range is necessary, it is not always
sufficient for a chemical to undergo photochemical
degradation. Energy may be re-emitted from an
excited molecule by mechanisms other than chemical
transformation, resulting in no change to the
parent molecule.
366
UNEP PUBLICATIONS
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
DECENE
ID: 25339-53-1
DATE: 28.04.2005
A conservative approach to estimating a
photochemical degradation rate is to assume that
degradation will occur in proportion to the amount
of light wavelengths >290 nm absorbed by the
molecule (Zepp and Cline, 1977).
Olefins with one double bond, such as the
chemicals in the Higher Olefins category, do not
absorb appreciable light energy above 290 nm. The
absorption of UV light to cause cis-trans
isomerization about the double bond of an olefin
occurs only if it is in conjugation with an
aromatic ring (Harris, 1982a).
Products in the Higher Olefins Category do not
contain component molecules that will undergo
direct photolysis. Therefore, this fate process
will not contribute to a measurable degradative
removal of chemical components in this category
from the environment.
Reliability:
Not applicable
References:
Harris J C (1982a). Rate of Aqueous Photolysis.
Chapter 8 in: W. J. Lyman, W. F. Reehl, and D. H.
Rosenblatt, eds., Handbook of Chemical Property
Estimation Methods, McGraw-Hill Book Company, New
York, USA.
Zepp, R. G. and D. M. Cline (1977). Rates of
Direct Photolysis in the Aqueous Environment,
Environ. Sci. Technol., 11:359-366.
(2)
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Method/
guideline followed:
Calculated values using AOPWIN version 1.91,
a subroutine of the computer program EIPWIN
version 3.11 which uses a program described by
Meylan and Howard (1993). Program used the
structure for 1-decene.
Type:
GLP:
Year:
air
Not applicable
Not applicable
Results
Indirect photolysis
Sensitiser (type):
Rate Constant:
Degradation % after:
OH
35.83 E-12 cm3/molecule-sec
50% after 3.582 hrs (using 12-hr day and
avg. OH conc. of 1.5 E6 OH/cm3)
Sensitiser (type):
Ozone
UNEP PUBLICATIONS
367
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
Rate Constant:
Degradation % after:
DECENE
ID: 25339-53-1
DATE: 28.04.2005
1.2 E-17 cm3/molecule-sec
50% after 22.92 hrs (using avg. OH conc. of
7 E11 mol/cm3)35.8302
Reliability:
(2) Reliable with restrictions. The value was
calculated data based on chemical structure as
modeled by EPIWIN. This robust summary has a
rating of 2 because the data are calculated and
not measured.
Flag:
Critical study for SIDS endpoint
References:
Meylan, W.M. and Howard, P.H.
1993.
Computer
estimation of the atmospheric gas-phase reaction
rate of organic compounds with hydroxyl radicals
and ozone. Chemosphere 26: 2293-99
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
B.
Stability in Water
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Method/
guideline followed:
Type (test type):
GLP:
Year:
Other – Technical Discussion
Yes [ ] No[ ]
Test Conditions:
Not applicable
Results:
Not applicable
Remarks:
Hydrolysis of an organic molecule occurs when a molecule
(R-X) reacts with water (H2O) to form a new carbonoxygen bond after the carbon-X bond is cleaved (Gould,
1959; Harris, 1982b). Mechanistically, this reaction is
referred to as a nucleophilic substitution reaction,
where X is the leaving group being replaced by the
incoming nucleophilic oxygen from the water molecule.
The leaving group, X, must be a molecule other than
carbon because for hydrolysis to occur, the R-X bond
cannot be a carbon-carbon bond. The carbon atom lacks
sufficient electronegativity to be a good leaving group
and carbon-carbon bonds are too stable (high bond
energy) to be cleaved by nucleophilic substitution.
Thus, hydrocarbons, including alkenes, are not subject
to hydrolysis (Harris, 1982b) and this fate process will
not contribute to the degradative loss of chemical
components in this category from the environment.
Under strongly acidic conditions the carbon-carbon
double bond found in alkenes, such as those in the
368
UNEP PUBLICATIONS
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Higher Olefins Category, will react with water by an
addition reaction mechanism (Gould, 1959). The reaction
product is an alcohol. This reaction is not considered
to be hydrolysis because the carbon-carbon linkage is
not cleaved and because the reaction is freely
reversible (Harris, 1982b). Substances that have a
potential to hydrolyze include alkyl halides, amides,
carbamates, carboxylic acid esters and lactones,
epoxides, phosphate esters, and sulfonic acid esters
(Neely, 1985).
The substances in the Higher Olefins Category are
primarily olefins that contain at least one double bond
(alkenes). The remaining chemicals are saturated
hydrocarbons (alkanes). These two groups of chemicals
contain only carbon and hydrogen. As such, their
molecular structure is not subject to the hydrolytic
mechanism discussed above. Therefore, chemicals in the
Higher Olefins Category have a very low potential to
hydrolyze, and this degradative process will not
contribute to their removal in the environment.
Conclusions:
Reliability:
References:
In the environment, hydrolysis will not contribute to
the degradation of decene.
Not applicable
Gould, E.S. (1959) Mechanism and Structure in Organic
Chemistry,
Holt, Reinhart and Winston, New York, NY, USA.
Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in:
W.J. Lyman, W.F. Reehl, and D.H. Rosenblatt, eds.,
Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.
Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G.
E. Blau, eds. Environmental Exposure from Chemicals. Vol
I., pp. 157-173. CRC Press, Boca Raton, FL, USA.
C.
Stability In Soil
Data not available
3.2
Monitoring Data (Environment)
Data not available
3.3
3.3.1
A.
Transport and Distribution
Transport between environmental compartments
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
UNEP PUBLICATIONS
369
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Type:
Fugacity models, Mackay Levels I and
III
Remarks:
Trent University model used for calculations. Half-lives in
water, soil and sediment estimated using EPIWIN (EPIWIN,
2000b)
Chemical assumptions:
Molecular weight: 140
Water solubility: 0.329 g/m3
Vapor pressure:
279 Pa (25°C)
Log Kow:
5.70
Melting point:
-45.48°C
Half-life in air = 5.59 hr, half-life in water = 360 hr,
half-life in soil = 360 hr, half-life in sediment = 1440 hr
Environment name: EQC Standard Environment
All other parameters were default values. Emissions for Level
I = 1000 kg. Level III model assumed continuous 1000 kg/hr
releases to each compartment (air, water and soil).
Results
Media: Air, soil, water and sediment concentrations were
estimated
Air
Water
Soil
Sediment
Remarks:
Level I
98.1%
<1%
1.82%
<1%
Level III
1.32%
19.3%
36.3%
43.0%
Since default assumptions for release estimates were used,
resulting environmental concentrations are not provided.
Conclusions:
These results indicated that decene will partition
primarily to air under equilibrium conditions (Level I model),
but approximately equally to water, soil and sediment under
the assumed pattern of chemical release (equal loading of
water, soil and air) in the Level III model.
Reliability:
Flag:
(2) Valid with restrictions: Data are calculated.
Critical study for SIDS endpoint
References: Trent University (2004). Level I Fugacity-based Environmental
Equilibrium Partitioning Model (Version 3.00) and Level III
Fugacity-based Multimedia Environmental Model (Version 2.80.1.
Environmental Modeling Centre, Trent University, Peterborough,
Ontario. (Available at http://www.trentu.ca/cemc)
EPIWIN (2000b). Estimation Program Interface for Windows,
version 3.11. EPI
Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.
B.
Test Substance
Identity:
370
CAS No. 25339-53-1, Decene
UNEP PUBLICATIONS
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Method
C.
Type:
Volatilization from water
Remarks:
Calculated using the computer program EPIWIN version
3.10; based on
Henry’s Law Constant of 2.68 atm-m3/mole (HENRY
experimental database).
Results:
Half-life from a model river: 1.209 hrs
Half-life from a model lake: 4.7 days
Reliability:
(2) Valid with restrictions:
References:
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
Values are calculated
Test Substance
Identity:
5-decene
Method
Media:
Method:
GLP:
air – biota – sediment – soil - water
calculation according to MacKay, Level I
Not applicable
Results
Value:
Air:
Water:
Soil/sediment:
Reliability:
calculated.
D.
99.8%
0.1%
0.1%
(2)
Reliable with restrictions: These data were
Reference:
MacKay, D., Multimedia Environmental Models: The
Fugacity Approach. Lewis Publishers Inc. Chelsea
Michigan USA, 1991.
Remarks:
IUCLID cites Shell Chemicals UK Ltd, Chester
Test Substance
Identity:
Method
5-decene
Type:
Remarks:
adsorption
Based on a calculated KOC (6666 l/kg) for 5-decene
Media:
water - soil
Results
UNEP PUBLICATIONS
371
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
E.
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Conclusions:
in soil.
Substance is expected to be insignificantly mobile
Reliability:
calculated.
(2)
Reliable with restrictions: These data were
References:
Swann, R.L., D.A. Laskowshi, P.J. McCall, K. Vander-Kuy
and H.J. Dishburger (1983) A rapid method for the
estimation of the environmental parameters octanol/water
partition coefficient, soil sorption constant, water to
air ratio and water solubility.
Residue Reviews 85:1728.
Remarks:
IUCLID cites Shell Chemicals UK Ltd, Chester
Test Substance
Identity:
5-decene
Method
Type:
Media:
volatility
water - air
Results:
Based on a calculated Henry’s Law constant for 5-decene
the volatization halflife of the substance in a
model
river, depth 1 m and current 1 m/s and a wind velocity
of 3 m/s is estimated to be 3.5 hours.
Reliability:
calculated.
3.3.2
A.
(2)
Reliable with restrictions: These data were
References:
Lyman, WJ, et al, chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, 1982, Chapter 15.
Remarks:
IUCLID cites Shell Chemicals UK Ltd, Chester
Distribution
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Method:
Adsorption Coefficient (Koc) calculated value using the
computer program EPIWIN, PCKOC v 1.66 using the method
described by Meylan et al., 1992.
Test Conditions:
for 1-decene.
Based on chemical structure. Program used the structure
Results
372
Value:
Estimated Koc = 1724
Reliability:
(2)
Reliable with restrictions: Value is calculated.
UNEP PUBLICATIONS
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
Reference:
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Meylan, W., P.H. Howard and R.S. Boethling (1992)
Molecular topology/fragment contribution method for
predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7.
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
B.
Test Substance
Identity:
5-decene
Method:
calculated Koc (soil partition coefficient)
Type:
Conditions:
adsorption
Brigg’s Correlation : log Koc = 0.52 log Kow + 0.88
assuming log Kow = 7
Media:
water-soil
Results
C.
Value:
Koc
= 33,175
Reliability:
calculated.
(2)
Reliable with restrictions: These data were
References:
ENICHEM, Environmental partitioning model: a computer
program prepared by Garlanda T and Mascero Garlanda M.
(1990).
Remarks:
IUCLID cites Shell Chemicals UK Ltd, Chester
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Method:
Henry’s Law Constant calculated value using the computer
program EPIWIN, HENRY v 3.10
Test Conditions:
Bond and Group estimates based on chemical structure, at
25°C; VP/water solubility estimates based on values of
VP = 2.09 mm Hg and WS = 0.329 mg/L. Program used the
structure for 1-decene.
Results
Value:
Bond estimate = 1.11 atm-m3/mole
Group estimate = 2.13 atm-m3/mole
VP/Wsol estimate = 1.17 atm-m3/mole
Reliability:
(2)
Reliable with restrictions: Values are calculated.
UNEP PUBLICATIONS
373
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
Reference:
D.
DECENE
ID: 25339-53-1
DATE: 28.04.2005
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
Test Substance
Identity:
CAS No. 872-05-9, 1-Decene
Method
Method:
Henry’s Law Constant
Test Conditions:
No data
Results
2.68 atm-m3/mole at 25°C
Value:
Reliability:
(2) Reliable with restrictions. The result is
experimental data as cited in the EPIWIN database. These
data were not reviewed for quality.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
3.4
Aerobic Biodegradation
A.
Test Substance:
C10-13 Internal Olefins
Remarks:
Blend of linear olefins: CAS No. 25339-53-1 (C10 = 612%); CAS No. 28761-27-5 (C11 = 27-45%); CAS No. 2537822-7 (C12 = 37-47%); CAS No. 25377-82-6 (C13 = 8-17%)
Method/guideline:
EEC Directive 84/449/EEC; Similar to OECD
Closed Bottle Test.
aerobic
Yes
1984
28 days
activated sludge
Test Type:
GLP:
Year:
Contact time:
Innoculum:
Test Conditions:
374
(Shop Olefins 103 PQ11)
(301 D)
Microorganisms were obtained from Sittingbourne Sewage
Works (UK) and prepared according to standard test
protocols. C10-13 Alpha Olefin was added to the test
medium from a stock solution containing 2.4 g/L
emulsified in Dobane PT sulphonate. The final test
concentration was 2 mg olefins 103/L. Test bottles were
incubated at 21±1°C and the extent of biodegradation was
determined by measuring oxygen concentration in the
bottles at days 5, 15 and 28. Controls with no
microbial innoculum (control) and with medium plus
microbial innoculum only (blank) were included. Sodium
benzoate was used as a biodegradable substance to
demonstrate the activity of the microbial innoculum.
UNEP PUBLICATIONS
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3. ENVIRONMENTAL FATE AND PATHWAYS
B.
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Results:
Under these test conditions, 103 PQ11Olefin was oxidized
to 40% of the theoretical oxygen demand by day 5 and 6570% by day 28 with no lag period. There was no
significant inhibition of microbial activity under the
test conditions. The report indicated that 103 Olefin
was considered readily biodegradable; however,
insufficient information was available to determine
whether the 10-day window criterion was satisfied.
Reliability:
(2) Reliable with restrictions: No information on
kinetic of biodegradation or biodegradation of reference
substance.
References:
Miller RC, Watkinson RJ. (1984). Olefins 103 PQ 11: An
Assessment of Ready Biodegradability. Shell Research
Limited, Sittingbourne Research Center (unpublished
report).
TEST SUBSTANCE
Identity:
C10-13
(Shop Olefins 103), internal
Remarks:
Blend of linear olefins: CAS No. 25339-53-1 (C10 = 612%); CAS No. 28761-27-5 (C11 = 27-45%); CAS No. 2537822-7 (C12 = 37-47%); CAS No. 25377-82-6 (C13 = 8-17%)
Method
Method/guideline:
OECD 301D Closed Bottle Test
Type:
Aerobic [X ] Anaerobic [ ]
GLP:
Yes
Year:
1985
Contact time:
28 days
Inoculum:
Activated domestic sludge
Test Conditions:
Microorganisms were obtained from Sittingbourne Sewage
Works (UK) and prepared according to standard test
protocols. C10-13 Olefin was added to the test medium
from a stock solution containing 2.4 g/L emulsified in
Dobane PT sulphonate. The final test concentration was
2 mg olefins 103/L. Test bottles were incubated at
21±1°C and the extent of biodegradation was determined
by measuring oxygen concentration in the bottles at days
5, 15 and 28. Controls with no microbial innoculum
(control) and with medium plus microbial innoculum only
(blank) were included. Sodium benzoate was used as a
biodegradable substance to demonstrate the activity of
the microbial innoculum.
Results:
Under these test conditions, 103 Olefin was oxidized to
54% of the theoretical oxygen demand by day 5 and 60-67%
by day 28 with no lag period.
89% of the possible
oxygen demand had been consumed in the bottles titrated
on day 15.
Based on the 15-day results, the 10-day
window criterion for “readily biodegradable” appears to
have been met; however, the lower values found on day 28
confound the evaluation.
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Reliability:
(2) Reliable with restrictions: Insufficient information
on kinetic of biodegradation or biodegradation of
reference substance.
Reference:
Turner, S.J., Watkinson, R.J., (1985) Shop Olefins 103:
An assessment of Ready Biodegradability, Sittingbourne,
Shell Research Limited, SBGR.85.106 (unpublished
report).
TEST SUBSTANCE
Identity:
CAS No. 68526-56-7; Alkenes, C9-11, C10 Rich
Method
Method/guideline:
OECD 301F, Ready Biodegradability, Manometric
Respirometry Test
Type:
Aerobic [X ] Anaerobic [ ]
GLP:
Yes
Year:
1995
Contact time:
28 days
Inoculum:
Domestic activated sludge
Test Conditions:
Activated sludge and test medium were combined prior to
test material addition. Test medium consisted of glass
distilled water and mineral salts (phosphate buffer,
ferric chloride, magnesium sulfate, and calcium
chloride).
Test vessels were 1L glass flasks placed in a waterbath
and electronically monitored for oxygen consumption.
Test material was tested in triplicate, controls and
blanks were tested in duplicate. Test material loading
was approximately 42 mg/L. Sodium benzoate (positive
control) concentration was approximately 44 mg/L. Test
temperature was 22 +/- 1 Deg C.
All test vessels were stirred constantly for 28 days
using magnetic stir bars and plates.
Results:
Approximately 21% biodegradation of the test material
was measured on day 28. Approximately 10% biodegradation
was achieved on day 17.
By day 14, >60% biodegradation of the positive control
was measured, which meets the guideline requirement. No
excursions from the protocol were noted.
Biodegradation was based on oxygen consumption and the
theoretical oxygen demand of the test material as
calculated using results of an elemental analysis of the
test material.
Sample
Test Material
Na Benzoate
376
% Degradation*
(day 28)
20.9, 19.9, 22.6
98.9, 95.5
UNEP PUBLICATIONS
Mean % Degradation
(day 28)
21.1
97.2
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
DECENE
ID: 25339-53-1
DATE: 28.04.2005
* replicate data
Reliability:
D.
(1) Reliable without restriction
Flag:
Key study for SIDS endpoint
Reference:
Exxon Biomedical Sciences, Inc. (1997) Ready
Biodegradability: OECD 301F Manometric Respirometry.
Study #119294A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).
TEST SUBSTANCE
Identity:
CAS No. 872-05-9, 1-Decene
Method
Method/guideline:
Manometric respirometry (OECD 301F)
Type:
Aerobic [X ] Anaerobic [ ]
GLP:
Yes
Year:
1995
Contact time:
28 days
Inoculum:
Domestic activated sludge
Test Conditions:
No data
Results:
Degradation = 80.9% after 28 days
E.
Remarks:
Concentration = 18.6 mg/L related to test substance. 10
day time window = day 3 to day 13; degradation at the
end of the 10 day time window = 64.9% (mean);
degradation at plateau = 81% (mean).
Reliability:
(2) Reliable with restrictions. Specific test
conditions were not reported; however, the test was
conducted under GLPs and using a current OECD test
guideline. The report was reviewed for the Alpha Olefins
SIAR and the decene dossier approved at SIAM 11.
Reference:
Enichem Instituto G Donegani (1995) Final report on
ready biodegradability (manometric-respirometric) of
olefin C10 (unpublished report).
Other:
This study was included in the dossier for 1-decene at
SIAM 11.
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Method/guideline:
Type:
Estimated using
3.10, BIOWIN v 4.00
the
computer
program
EPIWIN
v
Aerobic
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ID: 25339-53-1
DATE: 28.04.2005
Test Conditions:
Estimates use methods described by Howard et al., 1992;
Boethling et al., 1994; and Tunkel et al., 2000.
Estimates are based upon fragment constants that were
developed
using
multiple
linear
and
non-linear
regression analyses.
Results:
Linear model prediction: Biodegrades fast
Non-linear model prediction: Biodegrades fast
Ultimate biodegradation timeframe: Weeks
Primary biodegradation timeframe: Days
MITI linear model prediction: Biodegrades fast
MITI non-linear model prediction: Biodegrades fast
Reliability:
estimated
Reference:
(2) Reliable with restriction:
Results are
Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J.
Beaumann and N. Tirado (1994) Group contribution method
for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.
Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M.
Meylan, A.E. Hueber, J.A. Beauman and M.E. Larosche
(1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data.
Environ. Toxicol. Chem. 11:593-603.
Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and
H. Loonen (2000) Predicting ready biodegradability in
the MITI Test. Environ. Toxicol. Chem. (accepted for
publication)
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
3.9
BOD5, COD or ratio BOD5/COD
No data available
3.6
Bioaccumulation
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Method:
BCF calculated value using the computer program EPIWIN, BCF v
2.15
Test Conditions:
Based on chemical structure and an experimental Log Kow of
5.70 from the EPIWIN database, using methods described by
Meylan et al., 1999. Formula used to make BCF estimate: Log
BCF = 0.77 log Kow – 0.70 + correction (alkyl chains [8+ -CH2groups] with a value of -1).
Results
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Value:
Estimated Log BCF =
DECENE
ID: 25339-53-1
DATE: 28.04.2005
2.689 (BCF = 488.7)
Reliability:
(2)
Reliable with restrictions: Results are calculated.
Reference:
Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved
method for estimating bioconcentration / bioaccumulation
factor from octanol/water partition coefficient. Environ.
Toxicol. Chem. 18(4): 664-672
EPIWIN (2000b). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.
3.7
Additional Information
Sewage Treatment
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Test Method:
GLP:
Test Medium:
Test Type:
Calculated, EPIWIN STP Fugacity Model, predicted fate in a
wastewater treatment facility. Input values:
MW = 140.27;
Henry’s LC = 2.68 atm-m3/mol; air-water partition coefficient
= 109.604; Log Kow =5.7; biomass to water partition
coefficient = 100,238; temperature = 25°C
No
Secondary waste water treatment (water)
Aerobic
Test Results:
99.89 % removed from wastewater treatment
Reference:
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse, NY.
USA.
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ID: 25339-53-1
DATE: 28.04.2005
4.1
Acute Toxicity to Fish
A.
Test Substance
Identity:
CAS No. 68526-56-7; Alkenes, C9-11, C10 Rich
Method
Method/guideline: OECD 203
Test type:
Semistatic Fish Acute Toxicity Test
GLP:
Yes [X ] No [ ]
Year:
1995
Species/Strain:
Rainbow Trout (Oncorhynchus mykiss)
Analytical Monitoring: Yes
Exposure period: 96 hours
Statistical methods:
Trimmed Spearman-Karber Method (Hamilton, M.A. et
al. 1977. Trimmed Spearman-Karber Method for Estimating
Median Lethal Concentration in Toxicity Bioassays.
Environ. Sci. Technol. 11:714-719.)
Test Conditions:
Each test solution was prepared by adding the test
substance, via syringe, to 19.5 L of laboratory blend
water in 20 L glass carboys. The solutions were mixed
for 24 hours with a vortex of <10%. Mixing was performed
using a magnetic stir plate and Teflon coated stir bar
at room temperature (approximately 22C). After mixing,
the solutions were allowed to settle for one hour after
which the Water Accommodated Fraction (WAF) was siphoned
from the bottom of the mixing vessel through a siphon
that was placed in the carboy prior to adding the test
material. Test vessels were 4.0 L aspirator bottles that
contained approximately 4.5 L of test solution. Each
vessel was sealed with no headspace after 4 fish were
added. Three replicates of each test material loading
were prepared. Approximately 80% of each solution was
renewed daily from a freshly prepared WAF.
Test material loading levels included: 0.2, 0.4, 1.2,
3.5, and 10 mg/L, which measured 0.01, 0.03, 0.06, 0.08,
and 2.6 mg/L, respectively, and are based on the mean of
samples taken from the new and old test solutions. A
control containing no test material was included and the
analytical results were below the quantitation limit,
which was 0.03 mg/L.
Water hardness was 160-180 mg/L as CaCO3. Test
temperature was 16C (sd = 0.2). Lighting was 445 to 555
Lux with a 16-hr light and 8-hr dark cycle. Dissolved
oxygen ranged from 8.7 to 9.9 mg/L for "new" solutions
and 7.2 to 8.5 mg/L for "old" solutions. The pH ranged
from 7.0 to 8.8 for "new" solutions and 7.3 to 8.7 for
"old" solutions.
Fish supplied by Thomas Fish Co. Anderson, CA, USA; age
at test initiation = approximately 5 weeks; mean wt. at
test termination = 0.175 g; mean total length at test
termination = 3.0 cm; test loading = 0.19 g of fish/L.
The fish were slightly shorter than the guideline
suggestion of 4.0 to 6.0 cm, which were purposely
selected to help maintain oxygen levels in the closed
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system. Fish size had no significant effect on study
outcome.
Results:
96-hour LL50 = 4.8 mg/L (95% CI 3.8 to 6.0 mg/L) based
upon loading rates.
96-hour LC50 = 0.12 mg/L (95% CI 0.11 to 0.14 mg/L)
based upon measured values of old and new solutions.
Analytical method used was Headspace Gas Chromatography
with Flame Ionization Detection (GC-FID).
Loading
Measured
Fish Total
Rate (mg/L) Conc. (mg/L)
Mortality (@96 hrs)*
Control
Control
0
0.2
0.01
0
0.4
0.03
0
1.2
0.06
0
3.5
0.08
3
10
0.26
15**
* 15 fish added at test initiation
** 1 mortality not test related
Reliability:
B.
(1) Reliable without restriction
Flag:
Key study for SIDS endpoint
References:
Exxon Biomedical Sciences, Inc. (1996) Fish, Acute
Toxicity Test. Study #119258. Exxon Biomedical Sciences,
Inc., East Millstone, NJ, USA (unpublished report).
Test Substance
Identity:
Olefins 103 PQ 11 (C10-C13 internal olefins)
Remarks:
Blend of linear olefins: CAS No. 25339-53-1 (C10 = 612%); CAS No. 28761-27-5 (C11 = 27-45%); CAS No. 2537822-7 (C12 = 37-47%); CAS No. 25377-82-6 (C13 = 8-17%)
Method/Guideline: Not stated
Year (guideline): Not stated
Type (test type): Semi-static Fish Acute Toxicity Test
GLP: Not stated
Year (study performed): 1984
Species:
Rainbow Trout (Salmo gairdneri)
Analytical Monitoring: No
Exposure Period:
96 Hours
Statistical Method:
Visual inspection
Test Conditions:
Control and dilution water was laboratory mains
tap water obtained from bore holes in the chalk of North
Downs (U.K.). Water was dechlorinated and passed
through particle and activated carbon filters
(alkalinity 253 mg/L as CaCO3, hardness 274 mg/L as
CaCO3, conductivity 510 µS/cm, pH 7.3). Test vessels
were glass aquaria each filled with 10 L of water and
contained 10 fish per vessel. Quantities of test
substance were added directly to six aquaria to give
concentrations of 20, 50, 100, 200, 500, and 1000 mg/L.
The seventh aquarium served as a control and received no
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test substance. The fish were not fed during the test.
Test fish had a mean length of 3.0 cm (range 2.5 to 3.3
cm) and a mean weight of 0.23 g (range 0.15 to 0.32 g).
Fingerlings were obtained from Itchen Valley Trout Farm,
Alresford, Hampshire, U.K. and acclimated to test
conditions for more than 10 days before use. One
replicate per treatment and control was used. The
aquaria were gently aerated to maintain dissolved oxygen
concentration. At 24 h intervals, the number of dead
fish was recorded and any dead removed, dissolved oxygen
and pH were measured in the old and fresh solutions of
the control and high concentration, and the test
solutions were renewed. Temperature in one test
aquarium was monitored at 4h intervals throughout the
test. Total hardness was determined in each batch of
fresh media. Test temperature was 13-17 Deg C. Dissolved
oxygen ranged from 10.0 to 10.4 mg/L in the fresh media
and 9.8 to 10.2 mg/L in the old solutions. pH was 8.2 –
8.4. Total hardness was 240-260 mg/L as CaCO3.
Photoperiod was not stated in the test report.
Results:
Units/Value:
C.
Remarks:
Observations made during the study suggest the test
substance was not wholly soluble at concentrations of
approximately 20 mg/L and greater as indicated by an
oily film visible on the surface of the test solutions.
Concentrations were expressed as the amount of test
substance added.
No fish died during the 96h exposure in the 1000 mg/L
treatment. The 96h LC50 was > solubility. There were
also 100% survival in the control, 50, 100, 200 and 500
mg/L treatments. One fish died (10% mortality) in the 20
mg/L treatment. Although the report did not state
whether the study was conducted under GLP, a quality
assurance statement was included stating that study
procedures were inspected and the report was audited.
Reliability:
(2) Reliable with restrictions. Test substance was not
wholly soluble at the concentrations tested. A more
appropriate and currently accepted method for preparing
test solutions for multi-component test substances with
low water solubility is the use of water accommodated
fractions. Other shortcomings of the study include: 1)
only one replicate per concentration was used, and 2)
analytical verification of the test substance in the
exposure solutions was not performed.
Reference:
Shell Research Limited (1984) Olefins 103 PQ 11: Acute
toxicity to Salmo gairdneri, Daphnia magna and
Selenastrum capricornutum. Sittingbourne Research
Centre, SBGR.83.359 (unpublished report).
Test Substance
Identity:
382
96h LL0 was =1000 mg/L; LC50 > solubility
SHOP Olefins 103 (C10-C13 linear internal olefins)
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
Remarks:
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 3747%); CAS No. 25377-82-6 (C13 = 8-17%)
Method/Guideline: Not stated
Year (guideline): Not stated
Type (test type): Semi-static Fish Acute Toxicity Test
GLP:
Not stated
Year (study performed): 1985
Species:
Rainbow Trout (Salmo gairdneri)
Analytical Monitoring: No
Exposure Period:
96 Hours
Statistical Method:
Test Conditions:
Control and dilution water was laboratory mains
tap water obtained from bore holes in the chalk of North
Downs (U.K.). Water was dechlorinated and passed
through particle and activated carbon filters
(alkalinity 255 mg/L as CaCO3, hardness 270 mg/L as
CaCO3, conductivity 545 µS/cm, pH 7.4). Test vessels
were glass aquaria each filled with 10 L of water and
contained 10 fish per vessel. Quantities of test
substance were added directly to two aquaria to give
concentrations of 500 and 1000 mg/L. A third aquarium
served as a control and received no test substance. The
fish were not fed during the test. Test fish had a mean
length of 4.1 cm (range 3.9 to 4.5 cm) and a mean weight
of 0.66 g (range 0.47 to 0.86 g). Fingerlings were
obtained from Itchen Valley Trout Farm, Alresford,
Hampshire, U.K. and acclimated to test conditions for
more than 10 days before use. One replicate per
treatment and control was used. The aquaria were gently
aerated to maintain dissolved oxygen concentration. At
24 h intervals, the number of dead fish was recorded and
any dead removed, dissolved oxygen and pH were measured
in the old and fresh solutions of the control and high
concentration, and the test solutions were renewed.
Temperature in one test aquarium was monitored at 4h
intervals throughout the test. Total hardness was
determined in each batch of fresh media. Test
temperature was 18.5±1.0 Deg C. Dissolved oxygen ranged
from 9.6 to 10.2 mg/L in the fresh media and 9.0 to 9.8
mg/L in the old solutions. pH was 7.4 – 8.4. Total
hardness was 222-262 mg/L as CaCO3. Photoperiod was not
stated in the test report.
Results:
Units/Value:
96h LC50 was > solubility; LL0 = 1000 mg/L
Remarks:
The test substance was not wholly soluble at the test
concentrations and was visible as floating droplets.
Concentrations were expressed as the amount of test
substance added. Only one fish died during the 96h
exposure in the 1000 mg/L treatment. The 96h LC50 was >
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solubility. There was 100% survival in the control and
500 mg/L treatment.
Reliability:
(2) Reliable with restrictions. Test substance was not
wholly soluble at the concentrations tested. A more
appropriate and currently accepted method for preparing
test solutions for multi-component test substances with
low water solubility is the use of water accommodated
fractions. Other shortcomings of the study include: 1)
only two concentrations were tested, 2) only one
replicate per concentration was used, and 3) analytical
verification of the test substance in the exposure
solutions was not performed.
Reference:
Shell Research Limited (1985) SHOP Olefins 103: Acute
toxicity (Salmo gairdneri, Daphnia magna and Selenastrum
capricornutum) and n-octanol/water partition
coefficient. Sittingbourne Research Centre, SBGR.85.182
(unpublished report).
Other:
This study was included in the dossier for 1-decene at
SIAM 11. Additional information has been added.
4.2
Acute Toxicity to Aquatic Invertebrates (e.g. Daphnia)
A.
Test Substance
Identity:
Olefins 103 PQ 11 (C10-C13 linear internal olefins)
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 3747%); CAS No. 25377-82-6 (C13 = 8-17%)
Method/Guideline: Not stated
Year (guideline): Not stated
Type (test type): Static Daphnid Acute Toxicity Test
GLP:
Not stated
Year (study performed): 1983
Species:
Water Flea (Daphnia magna)
Analytical Monitoring: No
Exposure Period:
48 hours
Statistical Method:
Probit analysis
Test Conditions:
384
Nominal loading rates in the definitive test were
0, 0.05, 0.1, 0.2, 0.5, 1, 2, and 5 mg/L. Control and
dilution water was reconstituted hard water prepared by
adding salts to glass-distilled deionized water
following EPA guidelines (hardness 170 mg/L as CaCO3).
Quantities of stock solutions of the test substance in
acetone were added to triplicate sets of 140 ml conical
flasks and made up to 140ml with dilution water. Three
flasks served as controls and received no test
substance. Acetone concentration in control and test
flasks was 0.1 ml/L. Ten daphnids, less than 24h old,
were placed in each flask. Daphnids were obtained from
UNEP PUBLICATIONS
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4. ECOTOXICITY
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ID: 25339-53-1
DATE: 28.04.2005
laboratory cultures and collected from cultures aged
between 15 and 35 days. Young for testing were not taken
from cultures containing adults with ephippia. In order
to minimize daphnids from potentially being trapped in
undissolved test substance at the surface of the test
solutions, loosely fitting black paper caps were placed
over the flasks to create a darkened zone which the
daphnids would avoid. After 24 and 48h, the numbers of
immobilized daphnids were recorded. Temperature in one
test vessel was monitored at 4h intervals. The pH and
dissolved oxygen concentration in a control and highest
treatment were determined at test initiation and
termination. Total hardness of the dilution water used
was measured at the beginning of the test. Test
temperature was 18 – 22 Deg C. Photoperiod was 16 hrs
light and 8 hrs dark. Dissolved oxygen ranged from 8.8
to 9.2 mg/L. pH was 8.0 – 8.3. Total hardness of the
water was 170 mg/L as CaCO3.
Results:
Units/Value:
B.
48-h EL50 = 0.74 mg/L (nominal)
Remarks
No undissolved test substance was observed even at 5
mg/L, the highest concentration tested.. Concentrations
were expressed as the amount of test substance added.
48-h EL50 = 0.74 mg/L (nominal) with 95% confidence
limits of 0.61-0.88 mg/L. There was no immobilization of
D. magna in the control, 0.05, and 0.1mg/L after 48-h.
There were 1 (3.3%), 7 (23.3%), 19 (63.3%), 30 (100%)
and 30 (100%) daphnids immobilized in the 0.2, 0.5, 1,
2, and 5 mg/L, respectively. Although the report did not
state whether the study was conducted under GLP, a
quality assurance statement was included stating that
study procedures were inspected and the report was
audited.
Reliability:
(2) Reliable with restrictions. This study was well
documented and comparable to a guideline study.
Information provided indicate that test concentrations
did not appear to have exceeded water solubility of the
test substance as evidenced by absence of undissolved
material in the exposure solutions. However, analytical
verification of the test substance in the test solutions
was not performed.
Flag:
Key study for SIDS endpoint
Reference:
Shell Research Limited (1984) Olefins 103 PQ 11: Acute
toxicity to Salmo gairdneri, Daphnia magna and
Selenastrum capricornutum. Sittingbourne Research
Centre, SBGR.83.359 (unpublished report).
Other:
This study was included in the dossier for 1-decene at
SIAM 11. Additional information has been added.
Test Substance
Identity:
SHOP Olefins 103 (C10-C13 linear internal olefins)
UNEP PUBLICATIONS
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4. ECOTOXICITY
Remarks:
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 3747%); CAS No. 25377-82-6 (C13 = 8-17%)
Method/Guideline: Not stated
Year (guideline): Not stated
Type (test type): Static Daphnid Acute Toxicity Test
GLP: Yes
Year (study performed): 1985
Species:
Water Flea (Daphnia magna)
Analytical Monitoring: No
Exposure Period:
48 hours
Statistical Method:
Probit analysis
Test Conditions:
Nominal loading rates in the definitive test were
0, 1.0, 2.2, 4.6, 10, 22, 46, 100, 220, 460 and 1000
mg/L. Control and dilution water was reconstituted hard
water prepared by adding salts to glass-distilled
deionized water following EPA guidelines (hardness 168169 mg/L as CaCO3). Before use, a soil extract was added
to the reconstituted fresh water at 20 ml/L. The soil
extract was prepared by autoclaving 100 g soil/L
distilled water for 15 min at 120 deg C and filtered
through Whatman GF/C filter. Quantities of stock
solutions of the test substance in Analar acetone were
added to triplicate sets of 140 ml glass flasks and made
up to 140ml with dilution water. Three flasks served as
controls and received no test substance. Acetone
concentration in control and test flasks was 0.1 ml/L.
Ten daphnids, less than 24h old, were placed in each
flask. Daphnids were obtained from laboratory cultures
and collected from cultures aged between 15 and 35 days.
Young for testing were not taken from cultures
containing adults with ephippia. In order to minimize
daphnids being trapped in the surface layer of test
substance visible at all test concentrations, loosely
fitting black caps were placed over the flasks to create
a darkened zone which the daphnids would avoid. After
24 and 48h, the numbers of immobilized daphnids were
recorded. Temperature in one test vessel was monitored
at 4h intervals. The pH and dissolved oxygen
concentration in a control and highest treatment were
determined at test initiation and termination. Total
hardness of the dilution water used was measured at the
beginning of the test. Test temperature was 18 – 22 Deg
C. Photoperiod was 16 hrs light and 8 hrs dark.
Dissolved oxygen ranged from 8.6 to 9.0 mg/L. pH was 8.0
– 8.4. Total hardness of the water was 170 mg/L as
CaCO3.
Results:
Units/Value:
Remarks:
386
48-h EL50 = 480 mg/L(nominal)
The test substance was not wholly soluble at all test
concentrations and was visible at the surface.
Concentrations were expressed as the amount of test
substance added. 48-h EL50 = 480 mg/L with 95%
confidence limits of 400-580 mg/L. There was no
immobilization of D. magna in the control, 1.0, 2.2,
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
DECENE
ID: 25339-53-1
DATE: 28.04.2005
4.6, 10, 22, 46 and 100 mg/L after 48-h. There were 3
(10%), 14 (46.7%), and 27 (90%) daphnids immobilized in
the 220, 460, and 1000 mg/L, respectively.
Reliability:
(3) Not Reliable. Test substance was not wholly soluble
at the concentrations tested despite the use of a
solvent carrier to prepare stock solutions. A more
appropriate and currently accepted method for preparing
test solutions for multi-component test substances with
low water solubility is the use of water accommodated
fractions. Analytical verification of the test substance
in the exposure solutions was also not performed.
Reference:
Shell Research Limited (1985) SHOP Olefins 103: Acute
toxicity (Salmo gairdneri, Daphnia magna and Selenastrum
capricornutum) and n-octanol/water partition coefficent.
Sittingbourne Research Centre, SBGR.85.182 (unpublished
report).
Other:
This study was included in the dossier for 1-decene at
SIAM 11. Additional information has been added.
4.3
Toxicity to Aquatic Plants (e.g. Algae)
A.
Test Substance
Identity:
Olefins 103 PQ 11 (C10-C13 linear internal olefins)
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 3747%); CAS No. 25377-82-6 (C13 = 8-17%)
Method/Guideline: Not stated
Year (guideline): Not stated
Type (test type): Algal Toxicity Test
GLP:
Not stated
Year (study performed): 1983
Species:
Freshwater Green Alga (Selenastrum capricornutum)
Analytical Monitoring: No
Exposure Period:
4 days
Statistical Method:
EL50 values determined by probit analysis
Test Conditions:
Control and dilution water was algal nutrient
medium prepared by dissolving Analar grade salts in
glass-distilled deionized water according to EPA
guidelines except that boric acid was present at 105
µg/L and sodium bicarbonate at 50 mg/L. Sixteen
Erlenmeyer flasks containing 50 ml of culture medium
were prepared. Quantities of stock solutions of the test
substance in acetone were added to ten flasks to give
concentrations of 1.0, 2.2, 4.6, 10, 22, 46, 100, 220,
460, and 1000 mg/L. Six flasks served as controls and
received no test substance. Acetone concentration in the
control and treatment flasks was 0.1 ml/L. Each flask
was inoculated with algal cells to yield an initial
concentration of 500 cells/ml. Algal cells were obtained
from laboratory cultures that were originally derived
from a strain from American Type Culture Collection
UNEP PUBLICATIONS
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ID: 25339-53-1
DATE: 28.04.2005
(ATCC 22662). Flasks were incubated in a cooled orbital
(100 cycles/min) incubator under constant illumination
(~3000 lux) at 22-26 deg C (monitored at 4h intervals).
After 2 and 4 days incubation, cell counts were made
using a Coulter Counter. The initial pH in the control
and highest concentration was 7.9 – 8.0. The 96h EC50
(concentration causing a 50% reduction in cell number at
day 4 compared to mean control cell number at day 4) was
calculated using log transformed concentration values.
Results:
Units/Value:
mg/L
Remarks:
96h EL50 based on cell numbers at day 4 was 24
The test substance was not wholly soluble at
concentrations of approximately 20 mg/L and greater as
indicated by an oily film visible on the surface of the
test solutions. Concentrations were expressed as the
amount of test substance added. The 96h EC50 based on
cell numbers at day 4 was 24 mg/L with 95% confidence
limits of 2.9-79 mg/L).
Nominal
Conc. (mg/L)
Control
1.0
2.2
4.6
10
22
46
100
220
460
1000
Day 4 Cell Conc.
(cells/ml x 106)
1.03(mean)
1.1
1.1
1.1
0.87
0.33
0.092
0.13
0.11
0.093
0.096
Day 4 cell number as %
Day 4 mean control cell number
112
110
108
85
32
9
13
11
9
9
Although the report did not state whether the study was
conducted under GLP, a quality assurance statement was
included stating that study procedures were inspected
and the report was audited.
388
Reliability:
(3) Not Reliable. Test substance was not wholly soluble
at some of the concentrations tested despite the use of
a solvent carrier to prepare stock solutions. A more
appropriate and currently accepted method for preparing
test solutions for multi-component test substances with
low water solubility is the use of water accommodated
fractions. Other shortcomings of the study include: 1)
only one replicate per concentration was used, and 2)
analytical verification of the test substance in the
exposure solutions was not performed.
Reference:
Shell Research Limited (1984) Olefins 103 PQ 11: Acute
toxicity to Salmo gairdneri, Daphnia magna and
Selenastrum capricornutum. Sittingbourne Research
Centre, SBGR.83.359 (unpublished report).
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
B.
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Test Substance
Identity:
SHOP Olefins 103 (C10-C13 linear internal olefins)
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 3747%); CAS No. 25377-82-6 (C13 = 8-17%)
Method/Guideline: Not stated
Year (guideline): Not stated
Type (test type): Algal Toxicity Test
GLP:
Yes
Year (study performed): 1985
Species:
Freshwater Green Alga (Selenastrum capricornutum)
Analytical Monitoring: No
Exposure Period: 4 days
Statistical Method:
EC50 values determined by probit analysis
Test Conditions:
Control and dilution water was algal nutrient
medium prepared by dissolving Analar grade salts in
glass-distilled deionized water according to EPA
guidelines except that boric acid was present at 105
µg/L and sodium bicarbonate at 50 mg/L. Sixteen
Erlenmeyer flasks containing 50 ml of culture medium
were prepared. Quantities of stock solutions of the test
substance in Analar acetone were added to ten flasks to
give concentrations of 1.0, 2.2, 4.6, 10, 22, 46, 100,
220, 460, and 1000 mg/L. Six flasks served as controls
and received no test substance. Acetone concentration in
the control and treatment flasks was 0.1 ml/L. Each
flask was inoculated with algal cells to yield an
initial concentration of 500 cells/ml. Algal cells were
obtained from laboratory cultures that were originally
derived from a strain from American Type Culture
Collection (ATCC 22662). Flasks were incubated in a
cooled orbital (100 cycles/min) incubator under constant
illumination (~3000 lux) at 22.0-26.5 deg C (monitored
at 4h intervals). After 2 and 4 days incubation, cell
counts were made using a Coulter Counter. The pH in the
control and highest concentration ranged from 7.4 – 7.6
at test initiation and 7.1 – 7.4 at test termination.
The 96h EC50 (concentration causing a 50% reduction in
cell number at day 4 compared to mean control cell
number at day 4) was calculated using log transformed
concentration values.
Results:
Units/Value:
96h EL50 based on cell numbers at day 4 was 22 mg/L
Remarks:
The test substance was not wholly soluble at 220, 460,
and 1000 mg/L and was visible as floating droplets which
precluded cell counting. Concentrations were expressed
as the amount of test substance added.
The 96h EL50 based on cell numbers at day 4 was 22 mg/L
with 95% confidence limits of 19-24 mg/L).
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DATE: 28.04.2005
Nominal
Conc. (mg/L)
Control
1.0
2.2
4.6
10
22
46
100
Day 4 Cell Conc. Day 4 cell number as %
(cells/ml x 106) Day 4 mean control cell number
1.25(mean)
1.4
115
1.1
92
1.4
111
1.1
87
0.63
51
0.12
10
0.015
1
Reliability:
(3) Not Reliable. Test substance was not wholly soluble
at some of the concentrations tested despite the use of
a solvent carrier to prepare stock solutions. A more
appropriate and currently accepted method for preparing
test solutions for multi-component test substances with
low water solubility is the use of water accommodated
fractions. Other shortcomings of the study include: 1)
only one replicate per concentration was used, and 2)
analytical verification of the test substance in the
exposure solutions was not performed.
Reference:
Shell Research Limited (1985) SHOP Olefins 103: Acute
toxicity (Salmo gairdneri, Daphnia magna and Selenastrum
capricornutum) and n-octanol/water partition coefficent.
Sittingbourne Research Centre, SBGR.85.182 (unpublished
report).
Other:
This study was included in the dossier for 1-decene at
SIAM 11. Additional information has been added.
4.4
Toxicity to Micro-organisms, e.g. Bacteria
A.
Test Substance
Identity:
CAS No. 85535-87-1, Alkenes C10-13, linear internal olefins
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No. 28761-27-5
(C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-47%); CAS No.
25377-82-6 (C13 = 8-17%)
Method
Method:
GLP:
Species:
Exposure
Period:
Analytical
Monitoring:
Inhibition of growth
No data
Pseudomonas fluorescens
No data
Results:
Maximum inhibition was 19% at 1000 mg/L
No data
Reliability:
390
(4) Not assignable
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
B.
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Reference:
Turner, S.J., Watkinson, R.J., (1985) Shop Olefins 103: An
assessment of Ready Biodegradability, Sittingbourne, Shell
Research Limited, SBGR.85.106 (unpublished report).
Other:
This study was included in the dossier for 1-decene at SIAM
11.
Test Substance
Identity:
CAS No. 592-41-6, 1-Hexene; CAS No. 111-66-0, 1-Octene;
CAS No. 872-05-9, 1-Decene; CAS No. 1120-36-1, 1Tetradecene (Analytical Grade)
Method
Method
:
Acute static bioassay
GLP:
No
Type:
Aquatic
Species:
Thirteen marine bacteria
Exposure Period: 16 hours
Analytical Monitoring: No data
Test Conditions:
Water samples collected from Cleveland and Victoria
Point on the Brisbane coast, southeastern Queensland,
Australia, were cultured on marine salts medium
solidified with 1.5% agar. Thirteen different marine
bacteria were isolated and transferred to new media.
This culture was maintained at 30°C and subcultured
weekly. The test articles were dissolved in ethanol and
added to media (maximum 0.1 ml in 50 ml). 0.1 mg of
bacterial culture containing 8 x 1010 bacteria per ml
was added. Each experiment was performed in triplicate.
Controls consisting of bacteria inoculated into the
medium, without test compounds, both with and without
ethanol were run simultaneously. Absorbance at 600 nm
was determined, followed by incubation without shaking
at 30°C. After 16 hours, the absorbance was remeasured
and the differences were calculated and expressed as a
percentage of the difference in absorbance of the
control. These data were then converted to Probit units
and least-squares linear regression equation against
toxicant concentration was obtained. From these
regression equations, the effective concentration of the
test compound that inhibits bacterial growth by 50 and
/or 10% (EC50 and EC10, respectively) was determined.
Results:
Only 1-hexene exerted a toxic effect [log EC10 = -0.49];
however, the calculated log EC50 was 0.46, indicating a
value >100% saturation in sea water. The other 1-alkenes
were not toxic up to levels of 100% saturation.
Reliability:
Reference:
(1) Reliable without restrictions
Warne, M. St. J. Connell, D.W., Hawker, D. W., and G.
Schuurmann (1989) Quantitative Structure-Activity
Relationships for the Toxicity of Selected Shale Oil
UNEP PUBLICATIONS
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4. ECOTOXICITY
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ID: 25339-53-1
DATE: 28.04.2005
Components to Mixed Marine Bacteria.
Environmental Safety, 17: 133-148.
Other:
This study was included in the dossiers for 1-hexene and
1-tetradecene at SIAM 11. Additional information has
been added.
4.5
Chronic Toxicity to Aquatic Organisms
A.
Chronic Toxicity to Fish
Test Substance:
Ecotoxicology and
CAS No. 25339-53-1, Decene
Method/Guideline:
Type (test type): 30-day Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000b)
Species:
Fish
Test Conditions:
The program uses structure-activity relationships (SARs)
to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 5.12, which was estimated by EPIWIN using the
structure for 1-decene.
Results:
Estimated 30-day ChV = 26 µg/L
Units/Value:
B.
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is
calculated data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
CHRONIC TOXICITY TO AQUATIC INVERTEBRATES
(1)
Test Substance:
CAS No. 872-05-9, 1-Decene
Method/Guideline: OECD Guideline 211
392
UNEP PUBLICATIONS
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4. ECOTOXICITY
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Year (guideline):
1998
Type (test type):
Daphnid Chronic Toxicity Test
GLP (Y/N):
Yes
Year (study performed): 2004
Species:
Daphnia magna Straus
Analytical Monitoring: Yes
Exposure Period:
21 days
Statistical Method:
The EC10 and EC50 values were calculated
using the Power Model of the Benchmark Dose (BMD)
method (USEPA, 2001). The LOEC and NOEC was
determined using the Wilcoxon Rank Sum (Hollander
and Wolfe, 1999) with Bonferroni Adjustment
(Bland, 1995) using TOXSTAT software (Gulley,
1994). TOXSTAT was also used to perform a t-test
with Bonferroni Adjustment (Bland, 1995) to
analyze the growth data.
United States Environmental Protection Agency
(USEPA), Benchmark Dose software, V1.3.1. 2001.
Hollander, M. and Wolfe, D.A., Nonparametric
Statistical Methods 2nd Ed, John Wiley and Sons,
New York, 1999.
Gulley, DD and WEST, Inc. TOXSTAT, V.3.4. Western
Ecosystems Technology, Inc. Cheyenne, WY, 1994.
Bland, MJ., “Multiple significance tests: the
Bonferroni method”, British Medical Journal, v310,
pg. 170, 1995.
Test Conditions:
1-Decene in a closed system was aerated using an
air stone at an air flow rate of 160 to 180 cc/min.
The vapor generated from the aeration procedure
flowed into an aspirator bottle and bubbled through
vehicle/dilution medium (reconstituted water). The
1-decene saturated vapor passed through an air
stone near the bottom of the aspirator bottle
providing maximum contact between the test
substance in the vapor phase and vehicle/dilution
medium. This procedure was followed to develop a
stock solution, which was diluted to achieve a
range of exposure solutions.
The test chambers were 125 mL capacity clear glass
bottles with foil lined screw tops (no headspace).
One daphnid was added to each of 10 replicates.
The Daphnia were cultured in-house, were <24 hours
old, and were from 16-day old parents. The test
was performed using a static daily renewal of
exposure solutions. Observations for abnormal or
immobilized daphnids and neonates were made on each
replicate at approximately 24-hour intervals.
Test organisms were fed daily when solutions were
renewed by adding 0.4 mL of a 1.3E8 cells/mL
suspension of Pseudokirchneriella subcapitata to
provide approximately 4.2E5 cells/mL. Test
organisms were also fed during renewals with 0.05
mL of a 2.5 g/L Microfeast PZ-20 suspension. The
feeding rate supplied approximately 0.1 mgC/adult
daphnid/day.
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Mean test temperature was 20.6°C (S.D. = 0.2) and
diurnal light was approximately 16 hours light and
8 hours dark with 16 to 19 µE•m-2•s-1 during full
daylight periods. Dissolved oxygen ranged from 7.8
to 9.4 mg/L and pH ranged from 8.0 to 8.4 during
the study. Water hardness was 150 mg/L as CaCO3.
The TOC of the dilution water was 0.5127 ppm.
The analytical method used was static headspace
GC-FID (HS GC-FID). The methods practical
quantitation limit (PQL) is approximately 0.12
ng/mL (µg/L) and corresponds to the concentration
of the lowest analyzed analytical standard.
Results:
Units/Value:
on reproduction:
Effect Concentration (EC10 and EC50) based
EC10
21 day
20.0 µg/L (16.2 µg/L*)
(27.2 µg/L*)
* 95% Lower Confidence Interval
EC50
28.1 µg/L
The LOEC was 28.7 µg/L, the highest concentration
tested. The NOEC was 19.4 µg/L. The LOEC and NOEC
are based on reproduction and growth.
The NOEC
based on mortality was 28.7 µg/L, the highest
concentration tested.
The control daphnids released their first brood on
days 8 and 10. The coefficient of variation for
control fecundity was 8.7%.
The following are the endpoint results for the
control and exposure solutions.
Nominal Measured
Adult
Neonates
Adult
Conc. Conc.**
Mortality
per Adult
Avg.
Length
(µg/L) (µg/L)
%
(mm)
Control 0
0
153
5.8
10
5.91
10
151
5.6
16
8.74
10
155
5.8
25
12.8
10
138
5.6
40
19.4
0
140
5.6
60
28.7
10
68
5.2
** Average of new and old solutions (3 replicates
each) sampled on day 0 & 1, 7 & 8; 14 & 15, 20 &
21. The sample size for each concentration was n
= 24, except for the 5.91 µg/L concentration, the
sample size was n = 23. One sample was not used.
It was noted that the stock container outlet was
not purged, resulting in a spurious value. The
table below shows the new and old range of
concentrations.
394
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4. ECOTOXICITY
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Nominal Measured Conc.
Measured Conc.
Conc. new solutions
old solutions
(µg/L)
(µg/L)
(µg/L)
Control
0
0
10
8.15 - 18.4
0.06†
16
13.6 - 24.0
0.06† - 0.126
25
21.3 - 30.2
0.06† - 0.160
40
30.6 - 48.2
0.06† - 0.211
60
44.5 - 68.0
0.06† - 0.477
† 1-decene not detected above Practical
Quantitation Limit (PQL= 0.12 µg/L). PQL X 0.5
(0.06 µg/L) used in place of < PQL.
The maximum water solubility of 1-decene under the
conditions used to generate the stock solution for
this study was approximately 210 µg/L.
Conclusion:
The 1-decene Daphnia magna 21 day EC10 was 20.0
µg/L and the EC50 was 28.1 µg/L. Reproduction and
growth were more sensitive than survival, resulting
in an NOEC of 19.4 µg/L and an LOEC of 28.7 µg/L.
Flag:
Key study for SIDS endpoint
Reliability:
Reference:
Other (source):
Council
(2)
Test Substance:
(1) Reliable without restriction.
ExxonMobil Biomedical Sciences, Inc. (2004).
Daphnia magna Reproduction Test with 1-DECENE.
Study # 180446. Performed at ExxonMobil Biomedical
Sciences, Inc. Annandale, NJ.
Higher Olefins Panel, American Chemistry
CAS No. 25339-53-1, Decene
Method/Guideline:
Type (test type): 16-day EC50 value calculated using the computer
program ECOSAR, version 0.99g included in the EPI
Suite software, v 3.11 (EPIWIN, 2000b)
Species:
Daphnia magna
Test Conditions:
The program uses structure-activity relationships
(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
UNEP PUBLICATIONS
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for input into EPIWIN. The program used a Kow
value of 5.12, which was estimated by EPIWIN using
the structure for 1-decene.
Results:
Units/Value:
Estimated 16-day EC50 = 32 µg/L
Reliability:
(2) Reliable with restrictions. The result is
calculated data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
4.6
Toxicity to Terrestrial Organisms
A.
Toxicity to Terrestrial Plants.
Test Substance:
CAS No. 25339-53-1, Decene
Method/Guideline:
Type (test type): 96-hr Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000b)
Species:
Green algae
Test Conditions:
The program uses structure-activity relationships (SARs)
to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 5.12, which was estimated by EPIWIN using the
structure for 1-decene.
Results:
Units/Value:
396
Estimated 96-hr
ChV = 73 µg/L
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is
calculated data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
UNEP PUBLICATIONS
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4. ECOTOXICITY
B.
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Toxicity to Soil Dwelling Organisms.
No data available
C.
Toxicity to Other Non Mammalian Terrestrial Species (including Avian)
No data available
4.7
Biological Effects Monitoring (including Biomagnification)
No data available
4.8
Biotransformation and Kinetics
No data available
4.9
Additional Information
No data available
UNEP PUBLICATIONS
397
OECD SIDS
5. TOXICITY
5.1
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Toxicokinetics, Metabolism and Distribution
Test Substance:
CAS No. 111-66-0, 1-Octene, >99%; CAS No. 124-11-8, 1-Nonene,
>99%; CAS No. 872-05-9, 1-Decene, >98% (tested individually)
Method
Test Type
GLP
Year
Non-standard
in-vivo
No data
No data
Method:
Animals were exposed via inhalation to individual hydrocarbons
in 6 separate experiments with equal design except for the
choice of test substance. Animals were killed by decapitation,
and blood and organ samples were obtained within 3 minutes
after removal of an animal from the chamber. Food and water
were available ad libitum except during exposure. Dynamic
exposure of the animals was performed in 0.7 m3 steel
chambers. Temperature and humidity were kept within 23±1°C and
70±20% RH, respectively. The aimed concentration of 100 ppm
was maintained by mixing a controlled stream of air saturated
with the test substance under a constant temperature and flow
with the main stream of dust filtered air (5 m3/hr) before
entering at the top of the chamber. The concentration of
hydrocarbons in the chambers was monitored by on-line gas
chromatography at 15 minute intervals. The concentration of
hydrocarbons in tissues was determined by headspace gas
chromatography. Two ml of blood or organ homogenate (or 0.25 g
perirenal fat tissue) was equilibrated in 15 ml headspace
vials for 1 hr at 37 or 60 °C together with calibration
samples and blanks. 0.5 ml was taken from the headspace by
prewarmed gas tight syringe and injected into a Shimadzu GC 9A
gas chromatograph (FID). Separation was performed on a 2 m x
1/8” stainless steel column packed with GP 10% SP-2100 on
Supelcoport 100/120 mesh with nitrogen as carrier gas. In
blood, the calibration curves covered a range from 0.5 – 100
µmol/kg, in organs from 1 – 500 µmol/kg and in fat from 5 –
10000 µmol/kg. In blood and organs, the detection limits
generally were within the range from 0.1 to 1 µmol/kg; in fat
from 1 to 10 µmol/kg.
Test Conditions:
Species:
Rat
Strain:
Sprague-Dawley
Sex:
Male
Age:
No data
Bodyweight:
150 – 200 g at start of each experiment
Number of Animals:
4 per exposure
Route:
Inhalation
Dose(s) used:
100 ppm for 3 days, 12 hr/day
Statistical Methods:
398
None reported
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Actual Dose(s):
For the 3 days exposure period, the mean chamber concentration
was 99.3 ppm
Body Fluids Sampled:
Blood sampled at days 1, 2, and 3, immediately after
exposure and 12 hr after exposure on day 3
Tissues Sampled:
Brain, liver, kidney, fat; sampled at days 1, 2, and 3,
immediately after exposure and 12 hr after exposure on day 3
Results:
No systematic increase or decrease in biological
concentrations was observed during the exposure period except
for fat. With the exception for the kidney, the concentration
increased with increasing number of carbon atoms within each
structure group. The organ concentrations generally exceeded
blood by factors ranging from 3 to 10.The C9 and C10 1-alkenes
showed an increased accumulation in fat during the 3 days
exposure period, in contrast to the C8 1-alkene, where a
saturation seemed to occur. In fat, the concentrations of all
hydrocarbons were 4-20 times the concentrations found in other
organs. The 1-alkenes demonstrated high concentrations in fat
12 hr after exposure. After the recovery period, these
concentrations were 31, 46, and 66% for C8, C9 and C10 1alkenes, respectively, of the concentrations on day 3.
Concentrations of individual 1-alkenes after the third daily
12 hr exposure to 100 ppm and after 12 hr recovery (n=4)
1-Octene
1-Nonene
1-Decene
After
third
exposure
After 12
hr
recovery
After
third
exposure
After 12
hr
recovery
After
third
exposure
After 12
hr
recovery
Blood
12.4
0.1
15.9
0.4
16.4
0.7
Brain
69.7
0.5
116.3
2.7
138.1
6.3
Liver
78.9
nd
130.4
1.1
192.8
4.0
Kidney
139.3
0.9
146.7
4.6
162.0
9.3
Fat
720
226
2068
953
2986
1971
a
All concentrations are in µmol/kg; nd = not detectable (limit of
detection varied between substances and organs: in blood and
organs generally within range from 0.1 – 1 µmol/kg; in fat from
5 – 10 µmol/kg)
Reliability:
Reference:
(1) Reliable without restrictions.
Zahlsen, K., I. Eide, A.M. Nilsen and O.G. Nilsen (1993)
Inhalation kinetics of C8-C10 1-alkenes and iso-alkanes in
the rat after repeated exposures. Pharmacology & Toxicology
73:163-168.
5.2
Acute Toxicity
A.
Acute oral toxicity
(1)
Test Substance:
C10-13 Internal Olefins
linear
UNEP PUBLICATIONS
(Shop Olefins 103 PQ11),
399
OECD SIDS
5. TOXICITY
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 =
37-47%); CAS No. 25377-82-6 (C13 = 8-17%)
Method
Method/guideline: NA
Type (test type): LD50
GLP:
Pre-GLP
Year:
1977
Species/Strain:
Rat/Wistar
Sex:
Males and females
No. of animals per
sex per dose:
4
Vehicle:
none
Route of
administration:
Oral gavage
Test Conditions:
Male and female rats, aged approximately 12 weeks,
were used at each dose level (5 and 10 ml/kg).
The animals were weighed, fasted overnight and the
calculated dose of material administered by
intraesophagael intubation using a ball point
needle fitted to a syringe. After dosing food and
water were freely available throughout a 9 day
observation period.
Results:
Value:
Number of deaths
at each dose level:
(2)
LD50 > 7740 mg/kg
1 at 10 ml/kg
Remarks:
Animals showed no signs of toxic reaction during
the 9 day observation period. One female rat died
following a period of not eating and drinking and
loss of body weight. Under the conditions of this
study, C10-13 Olefins have a low order of
toxicity.
Reliability:
(1) Reliable without restrictions.
Flag:
Key study for SIDS endpoint
References:
Shell Toxicology Laboratory, Tunstall (1977)
Toxicology of alpha olefins: Acute toxicity, skin
and eye irritancy and skin sensitizing potential
of alpha olefin 103 PQ 11 (unpublished report).
Other:
This study was included in the dossiers for 1decene and 1-dodecene at SIAM 11. Additional
information has been added.
Test Substance
Identity (purity):
CAS No. 872-05-9, 1-Decene
Method
400
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Method/guideline: No data
Type (test type): LD50
GLP:
No
Year:
1973
Species/Strain:
Rat /strain not mentioned
Sex:
No data
No. of animals per
sex per dose:
No data
Vehicle:
NA
Route of
administration:
Oral gavage
Test Conditions:
Single treatment dose level of 10g/kg.
Results:
Value:
Number of deaths
at each dose level:
B.
LD50 > 10 g/kg
None
Remarks:
No signs of toxicity
Reliability:
(2) Reliable with restrictions: Incomplete
reporting
Flag:
Key study for SIDS endpoint
References:
Ethyl Corporation (1990) Internal data
(unpublished report).
Other:
This study was included in the dossier for 1decene at SIAM 11. Additional information has been
added.
ACUTE INHALATION TOXICITY
(1)
Test Substance:
C10-13 Internal Olefins
linear
(Shop Olefins 103),
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 =
37-47%); CAS No. 25377-82-6 (C13 = 8-17%)
Method
Method/guideline: 4-hr exposures in a dynamic exposure system.
Type (test type): LC50
GLP:
No
Year:
1980
Species/Strain:
Rat/Wistar
Sex:
Males and females
No. of animals per
sex per dose:
5
Vehicle:
Route of
administration:
None
Inhalation (mist )
UNEP PUBLICATIONS
401
OECD SIDS
5. TOXICITY
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Test Conditions:
One group of 10 rats each (5 males and 5 females,
approximately 10 weeks of age) was exposed for 4
hrs to a saturated concentration of test substance
(> 2.1 mg/L, ~305 ppm). Animals were observed for
14 days post-exposure. Initial, 7 day and 14 day
body weights were recorded.
The animals were contained within 7 liter glass
chambers fitted with carriers to accommodate five
animals each, through which the test atmosphere
was passed at a minimal rate of 10 liters/minute.
The test atmosphere was generated by flash
vaporization of the test substance supplied to a
heated flask by means of a micro metering pump.
The vapor was blended with dilution air in a
mixing flask, and the vapor/air mixture was passed
through an air cooled condenser and a condensation
trap to the inhalation chambers. Continuous
analysis of the atmosphere during exposure was
undertaken using a heated total hydrocarbon
analyzer.
Results:
Value:
LC50 >2.1 mg/L (~305 ppm)
concentration) mist.
Number of deaths
at each dose level:
(2)
None
Remarks:
Some rats lachrymated and salivated during
exposure, but no other toxic signs were observed
during the 14 day observation period.
Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
Blair, D., Sedgewick, A.E. (1980) The acute
inhalation toxicity of Olefins 103 PQ 11.
Sittingbourne, Shell Research Limited,
TLGR.80.052 (unpublished report).
Other:
This study was included in the dossiers for 1decene and 1-dodecene at SIAM 11. Additional
information has been added.
Test Substance:
CAS No. 872-05-9, 1-Decene
Method
Method/guideline: 1 and 4-hr exposures
Type (test type): LC50
GLP:
No
Year:
Species/Strain:
Rat/Sprague Dawley
Sex:
No data
No. of animals per
sex per dose:
No data
402
(saturated
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Vehicle:
Route of
administration:
Test Conditions:
None
Inhalation
Exposures at saturation of 9.3 and 8.7 mg/L (g/m3)
(1621and 1516 ppm); 14 observation period
Results:
Value:
Number of deaths
at each dose level:
C.
LC50 > saturation concentration
None
Remarks:
No visible pathological changes seen after 14
days.
Reliability:
(2) Reliable with restrictions: Incomplete
reporting
Flag:
Key study for SIDS endpoint
References:
Ethyl Corporation (1990) Internal data
(unpublished report).
Other:
This study was included in the dossiers for 1decene at SIAM 11.
Acute dermal toxicity
(1)
Test Substance:
C10-13 Internal Olefins
linear
(Shop Olefins 103 PQ 11),
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 =
37-47%); CAS No. 25377-82-6 (C13 = 8-17%)
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals
per sex per dose:
Noakes and Sanderson
LD50
Pre-GLP
1977
Rat/ Wistar
Males and females
Vehicle:
Route of
administration:
NA
Test Conditions:
4
Dermal
Groups of animals, aged 12-13 weeks, were exposed
to the test substance in single exposures to
concentrations of 1, 2, and 4 ml/kg. Undiluted
test material was applied to shorn dorso-lumbar
skin and bandaged into contact with the skin using
an impermeable dressing of aluminium foil and
water proof plaster. Following the 24-hour
exposure period, the dressings were removed and
UNEP PUBLICATIONS
403
OECD SIDS
5. TOXICITY
DECENE
ID: 25339-53-1
DATE: 28.04.2005
the exposed area was sponged with tepid dilute
detergent solution to remove residue. Animals
were observed for gross signs of toxicity daily
for 9 days.
Results:
Value:
LD50 > 3080 mg/kg
Number of deaths
at each dose level:
4 mortalities occurred in the female rats at
dose level 4 ml/kg; one each at day 6 and day 8, 2
at day 7.
(2)
Remarks:
Rats showed no signs of toxic reactions, but those
that eventually died did not eat or drink and lost
body weight. On the basis of these figures, the
acute percutaneous LD50 was estimated to be
greater than 4 ml/kg (3080 mg/kg) in males and
between 2 and 4 ml/kg (between 1540 and 3080
mg/kg) in females.
Reliability:
(1) Reliable without
Flag:
Key study for SIDS endpoint
References:
Shell Toxicology Laboratory, Tunstall (1977)
Toxicology of alpha olefins: Acute toxicity, skin
and eye irritancy and skin sensitizing potential
of alpha olefin 103 PQ 11 (unpublished report).
restrictions
Test Substance
Identity (purity):
CAS No. 872-05-9, 1-Decene
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals
per sex per dose:
U.S. Federal Hazardous Substances Labeling Act
LD50
Pre-GLP
1967
Albino rabbits
Males
Vehicle:
Route of
administration:
NA
Test Conditions:
404
4
Dermal
Two groups of 4 rabbits (weighing between 2.3 and
3.0 kg) were used (treated and control). Prior to
dosing, the animals were clipped free of hair over
the entire trunk area. The skin of two animals
from each group was abraded by making longitudinal
epidermal abrasions spaced about 2-3 cm apart over
the area to be exposed. Surgical gauze was wrapped
around the animal and covered with an impervious
plastic film. The animals in the treated group
then received a dose of 10 g/kg test substance
introduced under the plastic film. Following
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
DECENE
ID: 25339-53-1
DATE: 28.04.2005
dosing, the animals were immobilized in stocks for
24 hr, after which the covering and excess
material were removed and the skin examined for
gross changes. Animals were weighed on Days 1-4,
and on Days 7 and 14. Animals were observed for
14 days and then sacrificed and autopsied.
Results:
Value:
LD50 > 10 g/kg
Number of deaths
at each dose level:
No mortalities that were related to exposure
to test substance. One control animal died from
pneumonia on Day 2.
Remarks:
There were no signs suggestive of systemic
toxicity. The skins of animals became very taut,
dry and scaly, with no regrowth of hair in the
clipped areas and a loss of hair from areas which
became wet with the test substance. Autopsy showed
no gross signs of damage to internal organs.
Slight signs of pneumonia were observed in both
treated and control animals. All treated animals
showed weight loss on Days 1-7:
1Decene
Control
D.
Day
1
-4
Day
2
-10
0
+2
% Weight Loss
Day
Day
Day
3
4
7
-10
-9
-6
+2
+3
+1
Day
14
+1
+4
Reliability:
(2) Reliable with restrictions: Details of
procedures are not available, individual animal
data is not available, and animals appeared to
have pneumonia.
Flag:
Key study for SIDS endpoint
Reference:
Rinehart, W.E. (1967) Toxicological Studies on
Several Alpha Olefins, for Gulf Research and
Development Company (unpublished report).
Other:
This study was included in the dossier for 1decene at SIAM 11. Additional information has been
added.
Acute toxicity, other routes
No data available
5.3
Corrosiveness/Irritation
A.
Skin Irritation/Corrosion
(1)
Test Substance:
Alpha
CAS No. 872-05-9, 1-Decene, 100%, NEODENE® 10
Olefin
UNEP PUBLICATIONS
405
OECD SIDS
5. TOXICITY
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Method:
TSCA Health Effects Test Guidelines, 40 CFR
798.4470, meeting OECD Guidelines, Section 404
Test Type:
GLP:
Year:
in vivo
Yes
1995
Test Conditions
Species:
Rabbits
Strain:
New Zealand White
Cell type:
Sex:
Male and female
Number of animals
per sex per dose: 3
Total dose:
0.5 ml
Vehicle:
None
Exposure time period:
4 hrs
Grading scale:
Draize
Method Remarks:
A 0.5 ml quantity of undiluted test material was
applied onto a 1 inch by 1 inch gauze square. The
test material was applied in this manner to the
shaved dorsal skin at one intact site on each of
six rabbits and occluded with rubber dental dam
throughout the 4 hour exposure period. Severe
irritation persisted 72 hours following
application. All six animals were held for a Day
7 reading. The values for each rabbit were
totaled and averaged for erythema and eschar
formation at ½ to 1 hour, 24 hours, 48 hours, and
72 hours. The values for edema were evaluated at ½
to 1 hour, 24, 48, and 72 hours.
Results:
There were no deaths during the study. By day 7
reading, all irritation had cleared in two animals,
while the remaining four animals exhibited slight
to severe irritation. The only change noted in the
coloration and/or texture of the skin was
desquamation. No evidence of corrosion (necrosis)
was found. The Draize Primary Dermal Irritation
Index (the mean of combined scores for erythema and
edema at 1 hour, 24 hour, 48 hour and 72 hour) was
calculated to be 5.3.
(1) Reliable without restrictions
Reliability:
(2)
406
Reference:
Hilltop Biolabs, Inc. (1992) Primary Skin
Irritation Study in Rabbits; Performed for Shell
Oil Company (unpublished report).
Test Substance:
CAS No. 872-05-9, 1-Decene
pH:
Not applicable
Method:
OECD 404
Test Type:
GLP:
Year:
in vivo
Yes
1995
UNEP PUBLICATIONS
(GULFTENE 10)
OECD SIDS
5. TOXICITY
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Test Conditions
Species:
Rabbits
Strain:
New Zealand White
Cell type:
Sex:
Male and female
Number of animals
per sex per dose: 5 males and 1 female
Total dose:
0.5 ml
Vehicle:
None
Exposure time period:
4 hrs
Grading scale:
Draize
Method Remarks:
At the start of the study, the animals weighed
2.37 to 2.76 kg and were approximately 12 to 20
weeks old. One-half ml undiluted material was
applied to the unabraded skin on the shaved backs
of 6 rabbits, under a semi-occluded dressing
(cotton gauze patch placed in position with a strip
of porous tape; trunk wrapped in an elasticated
corset [TUBIGRIP]). A contralateral area of
untreated skin was identified to serve as the
control against which the reactions of the treated
site were evaluated. Four hours after application,
the corset and patches were removed and residual
test material was removed by swabbing with cotton
wool soaked in 74% Industrial Methylated Spirits.
The control sites were similarly swabbed. Scores
were made for erythema and edema at 0.5, 24, 48, 72
and 96 hr after removal of patches, and at 7 and 14
days after initiation of exposure.
Results:
All animals gained weight during the study.
Exposure produced well-defined erythema and very
slight to moderate oedema that cleared by Day 14.
Other dermal reactions noted were desquamation and
crust formation which persisted to Day 14, but were
considered to be reversible effects.
The Draize primary irritation index was 3.67. The
mean 24-72 hr scores for erythema and edema were
2.0 and 1.7, respectively.
Reliability:
(1) Reliable without restrictions
Reference:
Driscoll, R. (1996) Acute dermal irritation test
in the rabbit with GULFTENE 10, Report 703/077.
Conducted by Safepharm Laboratories Ltd. for
Chevron Research and Technology Company
(unpublished report).
Other:
This study was included in the dossier for
1-decene at SIAM 11. Additional information has
been added.
B. Eye Irritation/Corrosion
UNEP PUBLICATIONS
407
OECD SIDS
5. TOXICITY
(1)
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Test Substance:
C10-13 Internal Olefins
linear
(Shop Olefins 103 PQ 11),
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 =
37-47%); CAS No. 25377-82-6 (C13 = 8-17%)
pH:
Not applicable
Method:
Test Type:
GLP:
Year:
in vivo
No
1977
Test Conditions
Species:
Albino rabbits
Strain:
New Zealand White
Number of animals
per dose:
4
Dose(s) used:
0.2 ml
Vehicle:
None
Observation period:
7 days
Remarks:
The conjuctival redness chemosis and discharge,
corneal opacity and damage to the iris following
the instillation of 0.2 ml undiluted olefin into
the conjuctival sac of four rabbit eyes was scored
using standard Draize scales.
Results:
Animals were observed within 1-2 hours, after 1,
2, 3, and 7 days of application. Mean Draize
score was 1.0 (out of 110) at 1 hour after
exposure, 0.9 for day 1, 0.1 for day 2, and 0 at
other points.
Reliability:
(2)
408
(1) Reliable without restrictions
Reference:
Cassidy, S.L., Clark, D.G. (1977) Toxicology of
alpha olefins: Acute toxicity, skin and eye
irritancy and skin sensitizing potential of alpha
olefin 103 PQ 11. Sittingbourne, Shell Research
Limited, TLGR.0.171.77 (unpublished report).
Other:
This study was included in the dossier for 1decene at SIAM 11. Additional information has been
added.
Test Substance:
CAS No. 872-05-9, 1-Decene
pH:
Not applicable
Method:
equivalent to OECD 405
Test Type:
GLP:
Year:
in vivo
No
1967
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Test Conditions
Species:
Albino rabbits
Strain:
Not specified
Cell type:
Sex:
Males
Number of animals
per dose:
6
Dose(s) used:
0.1 ml
Vehicle:
None
Observation period:
72 hrs
Scoring method used:
Draize scoring at 24, 48, and 72 hours after
treatment
Remarks:
A positive control group were exposed to 5% Ivory
Soap solution
Results:
Draize score at 24 hours was 0.7/110; 0.3 at
48 hours and 0.0 at 72 hours. Maximum
individual score = 2/110 at 24 and 48 hours. The
mean 24-72 hr scores for corneal opacity, iritis,
conjunctival redness, and conjunctival chemosis,
respectively, were 0, 0, 0.2, and 0.
Reliability:
(3)
(1) Reliable without restrictions
Reference:
Rinehart, W.E. (1967) Toxicological Studies of
Several Alpha
Olefins Conducted by Department
of Occupational Medicine, University of
Pittsburgh, Pittsburgh, Pennsylvania, for Gulf
Research and Development Company (unpublished
report).
Other:
This study was included in the dossier for
1-decene at SIAM 11. Additional information has
been added.
Test Substance:
CAS No. 872-05-9, 1-Decene
pH:
Not applicable
Method:
Test Type:
GLP:
Year:
No data
in vivo
No
1973
Test Conditions
Species:
Rabbit
Strain:
New Zealand White
Number of animals
per dose:
No data
Dose(s) used:
No data
Vehicle:
None
Observation period:
72 hrs
Results:
Non-irritating.
UNEP PUBLICATIONS
409
OECD SIDS
5. TOXICITY
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ID: 25339-53-1
DATE: 28.04.2005
Remarks:
All scores = 0 at 24 and 72 hrs
Reliability:
5.4
(1) Reliable without restrictions
Reference:
Ethyl Corporation (1990) internal data
(unpublished report).
Other:
This study was included in the dossier for 1decene at SIAM 11.
Skin Sensitisation
Test Substance:
C10-13 Internal Olefins
(Shop Olefins 103 PQ 11), linear
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No. 28761-27-5
(C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-47%); CAS No.
25377-82-6 (C13 = 8-17%)
Method:
Test Type:
GLP:
Year:
Magnusson and Kligman
challenge
No
1977
Test Conditions
Species:
Guinea pig
Strain:
P strain
Sex:
Male and female
Number of animals
per sex per dose: 10 in test group; 5 each in control group
Route of
administration:
Injection and Topical
Intradermal
Induction conc.:
Induction vehicle:
Topical
Induction conc.:
Induction vehicle:
Challenge conc.: 10%
Challenge vehicle:
Method remarks:
0.05%
corn oil
1.5%
corn oil
corn oil
A preliminary screen was carried out using groups of 2 male
and 2 female guinea pigs to determine the concentrations of
test material to be used for intradermal induction, topical
induction and topical challenge.
Induction was accomplished in 2 stages, intradermal injection
and a topical application. Two rows of 3 injections were
made: 2 of 0.1 ml Freund’s complete adjuvant (FCA), 2 of 0.1
ml test material in solvent (solvent), and 2 of 0.1 ml test
material in 50:50 FCA/solvent. The injection sites were just
within the boundary of a 4x4 cm shaved area.
One week after the intradermal injections the same area was
clipped. A 4x4 cm patch of Whatman No. 3 filter paper was
soaked in a solution of the test material, placed over the
injection sites of the experimental animals and covered by
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overlapping plastic adhesive tape (Blendaderm). This was
secured with elastic adhesive bandage (Poroplast). The
dressing was left in place for 48 hours.
The challenge procedure was carried out 2 weeks after topical
induction. Challenge was accomplished by topical application
of the challenge solution of the test material to the flank of
both test and control groups of animals.
3x3 cm area on the
flank was clipped and shaved. A 2.5x2.5 cm patch of Whatman
No. 3 filter paper was soaked in a solution of the test
material, placed over the injection sites of the experimental
animals and covered by overlapping plastic adhesive tape
(Blendaderm). This was secured with elastic adhesive bandage
(Poroplast). The dressing was left in place for 24 hours.
Examination of the challenge site was immediately, 24 and 48
hours after removal of the dressing.
Results:
Negative for sensitization
Results Remarks:
Number of animals with skin reaction at challenge: 0/10
Number of animals with skin reaction in control group at
challenge: 0/10.
Reliability:
(1) Reliable without restrictions
Reference:
Cassidy, S.L., Clark, D.G. (1977) Toxicology of alpha olefins:
Acute toxicity, skin and eye irritancy and skin sensitizing
potential of alpha olefin 103 PQ 11. Sittingbourne, Shell
Research Limited, TLGR.0.171.77 (unpublished report).
Other:
This study was included in the dossiers for 1-decene and 1dodecene at SIAM 11. Additional information has been added.
5.5
Repeated Dose Toxicity
No data available
5.6
Genetic Toxicity in vitro
A.
Gene Mutation
(1)
Test Substance:
C10-13 Internal Olefins
linear
(Shop Olefins 103),
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 =
37-47%); CAS No. 25377-82-6 (C13 = 8-17%)
Method
Method/guideline:
Type:
in-vitro bacterial reverse mutation – Ames Assay
System of testing:
bacterial
GLP:
No
Year:
1983
Species/Strain:
Salmonella typhimurium TA98, TA100, TA1535,
TA1537, TA1538, and Escherichia coli WP2 or WP2
uvrA
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Metabolic activation:
With and without S9 fraction from induced
rat livers
Concentrations tested: 31.25, 62.5, 125, 250, 500, 1000, 2000 and
4000 µg/plate
Statistical Methods:
The mean and SD of the colony counts from
cultures derived from each flask were computed by
standard methods.
Test Conditions:
20 µl volumes of solutions of Olefin 103 PQ/11 in
ethanol/Tween 80 (1.5625, 3.125. 6.25. 12.5, 50,
100 mg/ml) or 40 ul of 100 mg/ml were added to top
agar mix to give final solutions of 31.25, 62.5,
125, 250, 500, 1000, 2000 and 4000 µg/plate both
in the presence and in the absence of rat liver S9
fractions. The cultures were incubated at 37oC
for 48-72 hours before the revertant colonies were
counted. The activity of the S9 mix and the
sensitivities of the strains TA1538, TA98 and
TA100 were monitored by treating cultures with a
known positive control compound, benzo (a) pyrene,
with requires metabolic activation before it is
able to induce gene mutation. The sensitivity of
TA1537 was monitored by the indirect mutagen,
neutral red; the sensitivities of E. coli WP2 or
WP2 uvrA pkm 101 and TA1535 were monitored by
testing with the direct-acting mutagens, potassium
dichromate or sodium azide, respectively.
Results
Cytotoxic conc.: No cytotoxicity observed
Genotoxic effects:
Negative with and without metabolic
activation
412
Remarks:
The test material did not lead to an increase in
reverse mutation frequency in any strain. No
visible precipitation of the test compound was
observed in the top agar overlay. Microscopic
examination of the background lawn in the plate
incorporation assay showed no reduction in growth
in any of the strains tested. All positive and
negative controls responded in a manner consistent
with data from previous assays. The addition of
Olefin 103 PQ/11 at amount up to 4000 µg per plate
to agar layer cultures of Salmonella typhimurium
TA98, TA100, TA1535, TA1537, TA1538, and
Escherichia coli WP2 or WP2 uvrA did not lead to an
increase in the reverse gene mutation frequency in
any of the strains either in the presence or
absence of rat liver S9 fractions.
Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint.
References:
Brooks, TM, Clare, MG, Wiggins, DE (1983) Toxicity
studies with detergents: Genotoxicity studies with
Olefin 103 PQ/11 (Cracked Urea Wax Olefin). Shell
Research Limited, SBGR.83.299 (unpublished
report).
UNEP PUBLICATIONS
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ID: 25339-53-1
DATE: 28.04.2005
(2)
Test Substance:
Schuchard)
CAS No. 872-05-9, 1-Decene (manufactured by
Method
Method/guideline: OECD 471
Type:
in-vitro bacterial reverse mutation – Ames Assay
System of testing:
bacterial
GLP:
Yes
Year:
Species/Strain:
Salmonella typhimurium TA98, TA100, TA1535,
TA1537, TA1538 without S9 ; and TA98 and TA100
with S9
Metabolic activation:
With and without S9 fraction as noted above
Concentrations tested: No data
Statistical Methods:
No data
Test Conditions:
No data
Results
Cytotoxic conc.: Toxicity seen in TA100 and TA1538 without S9
Genotoxic effects:
Negative with and without metabolic
activation
Reliability:
(2) Reliable with restrictions: Data were not
reviewed for quality, but were reviewed for SIAM
11
References:
Burghardtova, K. , B. Horvathova and M. Valachova
(1984) Testing of some 1-alkenes by the method of
Ames. Biologia (Bratislava), vol. 39(11):1121-1125
(in Czech.) (unpublished report).
Other:
1-decene at SIAM 11.
B.
This study was included in the dossier for
Chromosomal Aberration
Test Substance:
C10-13 Internal Olefins
(Shop Olefins 103), linear
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 3747%); CAS No. 25377-82-6 (C13 = 8-17%)
Method
Method/guideline:
Type:
in-vitro rat liver cell chromosome aberration assay
System of testing:
non-bacterial
GLP:
No
Year:
1983
Type of cell used:
Rat liver RL1 cells
Metabolic activation:
No
Concentrations tested: up to 500 µg/ml
Statistical Methods:
Test Conditions:
The range of concentrations of the test compound to be
used to assess the cloning efficiency was determined
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from the results of the initial assay. For each
concentration, including the solvent control, three 9 cm
diameter Petri dishes were used. Five hundred RL4 cells
were added to each dish and cells were incubated in 10
ml tissue culture medium at 37oC in a humidified
atmosphere containing 5% CO2. Twenty-four hours after
adding the cells, the medium was replaced with medium
containing the compound or solvent, which was replaced
with fresh medium after 24 hours exposure. Five days
later the cells were fixed and stained. Colonies
containing at least 50 cells were counted. The
concentration of the test compound that reduced the
number of colonies to an average of approximately 50% of
those on the dishes exposed to solvent only was used as
the highest concentration in the chromosome assay.
Results
Cytotoxic conc.: No cytotoxicity observed
Genotoxic effects:
Negative
Remarks:
There was no significant increase in the frequency of
chromatid gaps, chromatid breaks or total chromatid
aberrations in rat liver (RL4) cell cultures exposed to
Olefin 103 PQ/11 at concentrations up to 25 ug per ml.
All positive and negative controls responded in a manner
consistent with data from previous assays.
Reliability:
5.7
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
Dean, B.J. (1980) Toxicity studies with detergent
intermediates: In vitro genotoxicity studies with Shop
process components. Shell Research Limited, TLGR.80.074
(unpublished report).
Genetic Toxicity in vivo
No data available
5.8
Carcinogenicity
No data available
5.9
Reproductive Toxicity (including Fertility and Developmental Toxicity).
A.
Fertility
No data available
B.
Developmental Toxicity
No data available
5.10
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Other Relevant Information
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Aspiration
Test Substance
Identity:
C6-C18 even numbered alpha olefins
Method
Type:
Species:
Strain:
Sex:
Route of
Administration:
Dose:
aspiration
0.2 mL
Results:
See Remarks
Remarks:
C6-C18 alkenes (even carbon numbers, alpha olefins), source
and purity unspecified, were assessed for aspiration hazard in
an animal study using Wistar rats. Four or five males were
used per test article. Two-tenths mL of the test material was
placed in the mouths of rats that had been anesthetized to the
point of apnea in a covered wide mouth gallon jar containing
about 1 inch of wood shavings moistened with approximately 1
ounce of anhydrous diethyl ether.
As the animals began to
breathe again, the nostrils were held until the test material
had been aspirated or the animal regained consciousness. All
alkenes tested except 1- hexene were aspirated into the lungs.
1-Hexene was difficult to dose because of its volatility. Two
animals survived because the hydrocarbon “boiled” out of the
mouth before it was aspirated. All animals exposed to C8 to C14
died within 24 hours. With C16 and C18, there was only one
death (C18). Lung weights were increased in alkenes-treated
animals compared with controls. The affected animals showed
chemical pneumonitis. The report concluded that there is a
significant aspiration hazard with C6 to C14 alkenes.
Reference:
Gerarde, H.W. (1963) Toxicological Studies on
Archives of Environmental Health 6:329-341.
Other:
This study was included in the dossier for 1-decene at SIAM
11.
5.11
General toxicity – aspiration
Rat
Wistar
Male
Hydrocarbons.
Experience with Human Exposure
No data available
UNEP PUBLICATIONS
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6. REFERENCES
DECENE
ID: 25339-53-1
DATE: 28.04.2005
American Chemistry Council’s Higher Olefins Panel (2002).
American Petroleum Institute (1994) as cited in EPIWIN (2000b). Estimation
Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution Prevention
and Toxics,
U.S.A.
Blair, D., Sedgewick, A.E. (1980) The acute inhalation toxicity of Olefins 103
PQ 11.
Sittingbourne, Shell Research Limited,
TLGR.80.052 (unpublished
report).
Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J. Beaumann and N. Tirado
(1994) Group contribution method for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.
Brooks, TM, Clare, MG, Wiggins, DE (1983) Toxicity studies with detergents:
Genotoxicity studies with Olefin 103 PQ/11 (Cracked Urea Wax Olefin).
Shell
Research Limited, SBGR.83.299 (unpublished report).
Burghardtova, K. , B. Horvathova and M. Valachova (1984) Testing of some 1alkenes by the method of Ames. Biologia (Bratislava), vol. 39(11):1121-1125 (in
Czech.) (unpublished report).
Cassidy, S.L., Clark, D.G. Toxicology of alpha olefins:
Acute toxicity, skin
and eye irritancy and skin sensitizing potential of alpha olefin 103 PQ 11.
Sittingbourne, Shell Research Limited, TLGR.0.171.77 (unpublished report).
Daubert, T.E. and R.P. Danner (1989) Physical and Thermodynamic Properties of
Pure Chemicals: Data Compilation; Design Institute for Physical Property Data,
American Institute of Chemical Engineers. Hemisphere Pub. Corp., New York, NY ;
EPIWIN (2000a) Estimation Program Interface for Windows, version 3.10. Syracuse
Research Corporation, Syracuse, NY. USA.
Dean, B.J. (1980) Toxicity studies with detergent
genotoxicity studies with Shop process components.
TLGR.80.074 (unpublished report).
intermediates: In vitro
Shell Research Limited,
Driscoll, R. (1996) Acute dermal irritation test in the rabbit with GULFTENE 10,
Report 703/077.
Conducted by Safepharm Laboratories Ltd. for Chevron Research
and Technology Company (unpublished report).
Enichem Augusta Ind. Technical Bulletin
Enichem Instituto G Donegani (1995) Final report on ready biodegradability
(manometric-respirometric) of olefin C10 (unpublished report).
EPIWIN (2000a) Estimation Program Interface for Windows, version 3.10.
Syracuse Research Corporation, Syracuse, NY. USA.
EPIWIN (2000b). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
Ethyl Corporation (1990) Internal data
(unpublished report).
Exxon Biomedical Sciences, Inc. (1996)
Fish, Acute Toxicity Test. Study
#119258. Exxon Biomedical Sciences, Inc., East Millstone, NJ, USA (unpublished
report).
Exxon Biomedical Sciences, Inc. (1997)
Ready Biodegradability: OECD 301F
Manometric Respirometry. Study #119294A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).
416
UNEP PUBLICATIONS
OECD SIDS
6. REFERENCES
DECENE
ID: 25339-53-1
DATE: 28.04.2005
ExxonMobil Biomedical Sciences, Inc. (2004). Daphnia magna Reproduction Test
with 1-DECENE. Study # 180446. Performed at ExxonMobil Biomedical Sciences, Inc.
Annandale, NJ, for the American Chemistry Council.
Gerarde, H.W. (1963) Toxicological
Environmental Health 6:329-341.
Studies
on
Hydrocarbons.
Archives
of
Gould, E.S. (1959) Mechanism and Structure in Organic Chemistry, Holt, Reinhart
and Winston, New York, NY, USA.
Hansch C., Leo A. (1979) Substituent constants for correlation in analysis in
chemistry and biology, Wiley New York
Harris J C (1982a). Rate of Aqueous Photolysis. Chapter 8 in: W. J. Lyman, W. F.
Reehl, and D. H. Rosenblatt, eds., Handbook of Chemical Property Estimation
Methods, McGraw-Hill Book Company, New York, USA
Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in: W.J. Lyman, W.F. Reehl,
and D.H. Rosenblatt, eds., Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.
Hilltop Biolabs, Inc. (1992) Primary Skin Irritation Study in Rabbits; Performed
for Shell Oil Company (unpublished report).
Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M. Meylan, A.E. Hueber, J.A.
Beauman and M.E. Larosche (1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data. Environ. Toxicol. Chem.
11:593-603.
Joback, K.G. 1982. A Unified Approach to Physical Property Estimation Using
Multivariate Statistical Techniques.
In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E. Poling, Eds.
Kertes, A.S. (1989) Selective transport of hydrocarbons in the unsaturated zone
due to aqueous and vapor phase partitioning . Water Resources Research 23, 192638; EPIWIN. 2000. Estimation Program Interface for Windows, version 3.10.
Syracuse Research Corporation, Syracuse, NY. USA.
Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry and Physics. 79th ed.
Boca Raton, FL: CRC Press Inc., p. 3-181.
Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds. (1990) Handbook of Chemical
Property Estimation. Chapter 14. Washington, D.C.: American Chemical Society.
Lyman, WJ, et al, chemical Property
Company, New York, 1982, Chapter 15.
Estimation
MacKay, D., Multimedia Environmental Models:
Publishers Inc. Chelsea Michigan USA, 1991.
Methods,
McGraw-Hill
The Fugacity Approach.
Book
Lewis
Meylan, W. and P. Howard (1995) Atom/fragment contribution method for estimating
octanol-water partition coefficients. J. Pharm. Sci. 84:83-92.
Meylan, W., P. Howard and R. Boethling (1996) Improved method for estimating
water solubility from octanol/water partition coefficient. Environ. Toxicol.
Chem. 15:100-106.
Meylan, W., P.H. Howard and R.S. Boethling (1992) Molecular topology/fragment
contribution method for predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7.
Meylan, W.M. and Howard, P.H.
1993.
Computer estimation of the atmospheric
gas-phase reaction rate of organic compounds with hydroxyl radicals and ozone.
Chemosphere 26: 2293-99
UNEP PUBLICATIONS
417
OECD SIDS
6. REFERENCES
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved method for estimating
bioconcentration
/
bioaccumulation
factor
from
octanol/water
partition
coefficient. Environ. Toxicol. Chem. 18(4): 664-672.
Miller RC, Watkinson RJ. (1984).
Olefins 103 PQ 11: An Assessment of Ready
Biodegradability.
Shell
Research
Limited,
Sittingbourne
Research
Center
(unpublished report).
Neely and Blau (1985) Environmental Exposure from Chemicals, Volume 1, p. 31,
CRC Press.
Neely, W. B. 1985. Hydrolysis. In: W. B. Neely and G. E. Blau, eds.
Environmental Exposure from Chemicals. Vol I., pp. 157-173. CRC Press, Boca
Raton, FL, USA.
NLM (2003a). CCRIS (Chemical Carcinogenesis Research Info System). U.S. National
Library of Medicine, Specialized Information Services, National Institutes of
Health,
Department
of
Health
and
Human
Services.
September
2003
(http://toxnet.nlm.nih.gov).
NLM
(2003b). Household Products Database. U.S. National Library of Medicine,
Specialized Information Services, National Institutes of Health, Department of
Health and Human Services. September, 2003. (http://toxnet.nlm.nih.gov).
NLM (2003c). TRI (Toxic Release Inventory). U.S. National Library of Medicine,
Specialized Information Services, National Institutes of Health, Department of
Health and Human Services. September 2003 (http://toxnet.nlm.nih.gov).
Rinehart, W.E. (1967) Toxicological studies on several alpha olefins, for Gulf
Research and Development Company (unpublished report).
Shell Chemicals UK Ltd, Chester
Shell Research Limited (1984) Olefins 103 PQ 11: Acute toxicity to Salmo
gairdneri, Daphnia magna and Selenastrum capricornutum. Sittingbourne Research
Centre, SBGR.83.359 (unpublished report).
Shell Research Limited (1985) SHOP Olefins 103: Acute toxicity (Salmo gairdneri,
Daphnia magna and Selenastrum capricornutum) and n-octanol/water partition
coefficent. Sittingbourne Research Centre, SBGR.85.182 (unpublished report).
Shell Toxicology Laboratory, Tunstall (1977) Toxicology of alpha olefins: Acute
toxicity, skin and eye irritancy and skin sensitizing potential of alpha olefin
103 PQ 11 (unpublished report).
Stein, S. and R. Brown (1994) Estimation of normal boiling points from group
contributions (1994) J. Chem. Inf. Comput. Sci. 34: 581-587.
Swann, R.L., D.A. Laskowshi, P.J. McCall, K. Vander-Kuy and H.J. Dishburger
(1983) A rapid method for the estimation of the environmental parameters
octanol/water partition coefficient, soil sorption constant, water to air ratio
and water solubility.
Residue Reviews 85:17-28.
Trent University (2004). Level I Fugacity-based Environmental Equilibrium
Partitioning Model (Version 3.00) and Level III Fugacity-based Multimedia
Environmental Model (Version 2.80.1. Environmental Modeling Centre, Trent
University, Peterborough, Ontario. (Available at http://www.trentu.ca/cemc)
Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and H. Loonen (2000)
Predicting ready biodegradability in the MITI Test. Environ. Toxicol. Chem.
(accepted for publication)
418
UNEP PUBLICATIONS
OECD SIDS
6. REFERENCES
DECENE
ID: 25339-53-1
DATE: 28.04.2005
Turner, S.J., Watkinson, R.J., (1985) Shop Olefins 103: An assessment of Ready
Biodegradability,
Sittingbourne,
Shell
Research
Limited,
SBGR.85.106
(unpublished report).
Verschueren, K, Handbook of environmental data on organic chemicals, 2nd ed. P
448.
Warne, M. St. J. Connell, D.W., Hawker, D. W., and G. Schuurmann (1989)
Quantitative Structure-Activity Relationships for the Toxicity of Selected Shale
Oil Components to Mixed Marine Bacteria.
Ecotoxicology and Environmental
Safety, 17: 133-148.
Zahlsen, K., I. Eide, A.M. Nilsen and O.G. Nilsen (1993) Inhalation kinetics of
C8-C10 1-alkenes and iso-alkanes in the rat after repeated exposures.
Pharmacology & Toxicology 73:163-168.
Zepp, R. G. and D. M. Cline (1977). Rates of Direct Photolysis in the Aqueous
Environment, Environ. Sci. Technol., 11:359-366.
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ALKENES, C10-13
SIDS DOSSIER
ON THE HPV CHEMICAL
ALKENES, C10-13
CAS No.: 85535-87-1
Contains Robust Summaries for the Following Substances:
CAS No. 85535-87-1, Alkenes C10-13
C10-13 Internal olefins (SHOP Olefins 103PQ11/Olefins 103 PQ11/SHOP Olefins 103)
CAS No. 25339-53-1, Decene
CAS No. 872-05-9, 1-Decene
CAS No. 68526-56-7; Alkenes, C9-11, C10 Rich
CAS No. 28761-27-5, Undecene (mixture of isomers)
CAS No. 25378-22-7, Dodecene
CAS No. 25377-82-6, Tridecene
Sponsor Country: USA
Date of submission to OECD:
420
April 28, 2005
UNEP PUBLICATIONS
OECD SIDS
1. GENERAL INFORMATION
ALKENES, C-10-13
ID: 85535-87-1
DATE: 28.04.2005
Substance Information
A.
CAS Number:
85535-87-1
B.
Name (OECD):
Alkenes, C10-13
C.
Name (IUPAC):
D.
CAS Descriptor:
Alkenes, C10-13
E.
EINECS Number:
287-479-1
F.
Molecular Formula:
Sponsor Country:
UVCB, alkenes
United States of America
Lead Organisation:
Name of Lead Organisation:
Contact person:
Address:
• Street:
• Postal code:
• Town:
• Country:
• Tel:
United States of America Environmental
Protection Agency
Mr. Oscar Hernandez, Director
U.S. Environmental Protection Agency
Risk Assessment Division (7403 M)
1200 Pennsylvania Avenue, NW
20460
Washington, D.C. 20460
United States of America
(202) 564-7461
Name of Responder (Industry Consortium):
Name:
Contact:
Address:
• Street:
• Postal code:
• Town:
• Country:
• Tel:
• Fax:
American Chemistry Council (Higher Olefins Panel)
Mr. W. D. Anderson, Higher Olefins Panel Manager
1300 Wilson Boulevard
22209
Arlington, VA
United States of America
(703)741-5616
(703) 741-6091
Details on Chemical Category
This profile includes an evaluation of SIDS-level testing data, using a category
approach, with six individual internal olefins (C6 – C10 and C12), a C10 – 13
internal olefins blend and two linear alpha olefins (1-hexadecene and 1octadecene), all of which are monoolefins. The internal olefins are
predominantly linear, but may contain small amounts of branched materials. For
the purposes of the ICCA HPV Program, the category was defined as “Higher
Olefins.” The category designation was based on the belief that, within the C6
to C18 boundaries identified, internalizing the location of the carbon-carbon
double bond, increasing the length of the carbon chain, and/or changing the
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1. GENERAL INFORMATION
ALKENES, C-10-13
ID: 85535-87-1
DATE: 28.04.2005
carbon skeleton’s structure from linear to branched does not change the toxicity
profile, or changes the profile in a consistent pattern from lower to higher
carbon numbers. This expectation is supported by a large amount of existing data
for alpha and internal olefins with carbon numbers ranging from C6 to C24. The
members of the category are:
Hexene
CAS # 25264-93-1
Heptene
CAS # 25339-56-4
Octene
CAS # 25377-83-7
Nonene
CAS # 27215-95-8
Decene
CAS # 25339-53-1
Dodecene
CAS # 25378-22-7
Alkenes, C10-C13
CAS# 85535-87-1
1-Hexadecene
CAS # 629-73-2
1-Octadecene
CAS # 112-88-9
1.1
General Substance Information
A.
Type of Substance
Element [ ]; Inorganic [ ]; Natural substance [ ]; Organic [X ];
Organometallic [ ];
Petroleum product [ ]
B.
Physical State (at 20°C and 1.013 hPa)
Gaseous [ ]; Liquid [X ]; Solid [ ]
C.
Purity:
Remarks:
1.2
Typical composition: Blend of CAS No. 25339-53-1 (C10 =
11.2%); CAS No. 28761-27-5 (C11 = 29.6%); CAS No. 25378-22-7
(C12 = 25.9%); CAS No. 25377-82-6 (C13 = 23.6%)
Impurities
Chemical Name:
C9 and lower = 0.1%
Chemical Name:
C14 and higher = 9.6%
Chemical Name:
N paraffins = 4.2%
Chemical Name:
Dienes = 4.6%
1.3
Additives
None
1.4 Synonyms
422
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1. GENERAL INFORMATION
Some synonyms are:
1.5
ALKENES, C-10-13
ID: 85535-87-1
DATE: 28.04.2005
C10-13 Alkenes; n-olefins C10-13; Internal Olefins, C1013
Quantity
Remarks:
5,000,000-10,000,000 tonnes; 1999 figures for UK
Reference:
Shell Chemicals UK Ltd, Chester
Remarks:
U.S. production volume for Alkenes, C10-13, was 10 – 50 million
pounds reported for 2002 by members of the American Chemistry
Council’s Higher Olefins Panel.
Reference:
American Chemistry Council’s Higher Olefins Panel (2002).
1.6
Use Pattern
A.
General Use Pattern
Type of Use:
Category:
(a)Main
Industrial
Use
Use in closed systems
Chemical industry
Intermediate
Remarks:
surfactant alcohol
(b) Main
Industrial
Use
Remarks:
surfactant alcohol
B.
Intermediate in the manufacture of
Non-dispersive use
Chemical industry – chemicals used in
synthesis
Intermediate
Intermediate in the manufacture of
Uses In Consumer Products
Chemical not present in consumer products as marketed.
1.7
Sources of Exposure
Remarks:
This product is produced commercially in closed systems and is used
primarily as an intermediate in the production of other chemicals.
No non-intermediate applications have been identified. Any
occupational exposures that do occur are most likely by the
inhalation and dermal routes. It is a common practice to use
personal protective equipment. In the case of dermal exposures,
protective gloves would be worn due to the mildly irritating
properties of this class of chemicals (ACC Higher Olefins Panel).
Results from modelled data suggest that on-site waste treatment
processes are expected to remove this substance from aqueous waste
streams to the extent that it will not be readily detectable in
effluent discharge (EPIWIN, 2000b). This substance is not on the US
Toxic Release Inventory (TRI) list (NLM, 2003). This olefin will not
persist in the environment because it can be rapidly degraded
through biotic and abiotic processes.
UNEP PUBLICATIONS
423
OECD SIDS
1. GENERAL INFORMATION
Reference:
ALKENES, C-10-13
ID: 85535-87-1
DATE: 28.04.2005
American Chemistry Council’s Higher Olefins Panel
1.8
Additional Information
A.
Classification and Labelling
Classification
Type:
as in Directive 67/548/EEC
Category of danger:
Flammable, Harmful, Irritant, Dangerous to the
environment
R-phrases:
(R10) Flammable
(R38) Irritating to skin
(R51/53) Toxic to aquatic organisms, may cause longterm adverse
effects in the aquatic environment
(65) Harmful: may cause lung damage if swallowed
Labelling
B.
Type:
Specific limits:
Symbols:
R-phrases:
as in Directive 67/548/EEC
no
Xn, N
(R10) Flammable
(R38) Irritating to skin
(R51/53) Toxic to aquatic organisms, may cause longterm adverse
effects in the aquatic environment
(R65) Harmful: may cause lung damage if swallowed
S-phrases:
(24) Avoid contact with skin
(29) Do not empty into drains
(33) Take precautionary measures against static
discharges
(S61) Avoid release to the environment. Refer to
special instructions/Safety data sheets
(S62) If swallowed, do not induce vomiting: seek medical
advice immediately and show this container or label
Occupational Exposure Limits
Exposure Limit Value
Type:
Value:
None established
Short Term Exposure Limit Value
Value:
C.
Options For Disposal
Remarks:
424
None established
Biotreater, burned for fuel
UNEP PUBLICATIONS
OECD SIDS
1. GENERAL INFORMATION
D.
Last Literature Search
Type of search:
Date of search:
Remark:
E.
ALKENES, C-10-13
ID: 85535-87-1
DATE: 28.04.2005
Internal and external
October 2003
Medline
IUCLID
TSCATS
ChemIDplus
AQUIRE - ECOTOX
OTHER REMARKS
ADR
Class:
9
Packing Group:
III
Hazard identification no.
90
UN Number:
3080
Danger label
(Primary risk)
9
Proper Shipping Name:
Environmentally Hazardous Substance, Liquid,
N.O.S. (C10-C13 Olefins)
UNEP PUBLICATIONS
425
OECD SIDS
2. PHYSICO-CHEMICAL DATA
2.1
A.
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Melting Point
Test Substance
Identity:
CAS No. 85535-87-1, Alkenes, C10-13
Method:
ASTM D97
GLP: Yes [ ] No[X ]
Year:
1978
B.
Results:
Melting point
Value:
-50 °C:
Decomposition:
Sublimation:
Yes [ ] No [X ] Ambiguous [ ]
Yes [ ] No [X ] Ambiguous [ ]
Reliability:
(4) Not assignable. These data were not reviewed
for quality.
References:
Enichem Augusta Industrials, Milan
Test Substance
Identity:
CAS No. 85535-87-1, Alkenes, C10-13
Method:
ASTM D97
GLP:
Year:
Yes [ ] No[X ]
1978
Results:
Melting point
Value:
-66 to -13°C:
Decomposition:
Sublimation:
Yes [ ] No [X ] Ambiguous [ ]
Yes [ ] No [X ] Ambiguous [ ]
Reliability:
References:
C.
(2) Reliable with restrictions: Reliable source but
these data were not reviewed for quality.
Shell Chemicals UK Ltd., Chester
Test Substance
Identity:
CAS No. 872-05-9, 1-Decene
Method
GLP:
Year:
No data
No data
No data
Results:
Melting point
426
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
Value:
-66.3 °C
Decomposition:
Sublimation:
No data
No data
Reliability:
Flag:
References:
D.
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
(2) Reliable with restrictions. The result is
experimental data as cited in the EPIWIN database. These
data were not reviewed for quality.
Key study for SIDS endpoint
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method/
guideline followed:
Calculated value using MPBPWIN version 1.40, a
subroutine of the computer program EPIWIN version 3.10
GLP:
Not applicable
Year:
Not applicable
Test Conditions:
Melting Point is calculated by the MPBPWIN subroutine,
which is based on the average results of the methods of
K. Joback, and Gold and Ogle, and chemical structure.
Joback's Method is described in Joback, (1982). The Gold
and Ogle Method simply uses the formula Tm = 0.5839Tb,
where Tm is the melting point in Kelvin and Tb is the
boiling point in Kelvin. Program used the structure for
1-decene.
Results
Melting point
value in °C:
-45.48°C
Reliability:
(2) Reliable with restrictions. The result is
calculated data based on chemical structure as modeled
by EPIWIN.
Flag:
Key study for SIDS endpoint
References:
Joback, K.G. 1982. A Unified Approach to Physical
Property Estimation Using Multivariate Statistical
Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E.
Poling, Eds.
EPIWIN (2000a). Estimation Program Interface for
Windows, version 3.10. Syracuse Research Corporation,
Syracuse, NY. USA.
UNEP PUBLICATIONS
427
OECD SIDS
2. PHYSICO-CHEMICAL DATA
E.
F.
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Test Substance
Identity:
CAS No. 28761-27-5, Undecene (mixture of isomers)
Method
GLP:
Year:
No data
No data
No data
Results:
-77 °C
Decomposition:
Sublimation:
No data
No data
Reliability:
(2) Reliable with restrictions. The result is
experimental data as cited in the EPIWIN database.
These data were not reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
Test Substance
Identity:
CAS No. 25378-22-7, Dodecene
Method
Method/
guideline followed:
GLP:
Year:
No data
No data
No data
Test Conditions:
No data
Results
Melting point
value in °C:
G.
-35.2°C
Reliability:
(2) Reliable with restrictions: The result is measured
data as cited in the EPIWIN database. These data were
not reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
Test Substance
Identity:
CAS No. 25377-82-6, Tridecene
Method/
guideline followed:
GLP:
428
Calculated value using MPBPWIN version 1.41, a
subroutine of the computer program EPIWIN version
3.11
Not applicable
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
Year:
Test Conditions:
Results
Melting point
value in °C:
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Not applicable
Melting Point is calculated by the MPBPWIN
subroutine, which is based on the average results of the
methods of K. Joback, and Gold and Ogle, and chemical
structure. Joback's Method is described in Joback,
(1982). The Gold and Ogle Method simply uses the formula
Tm = 0.5839Tb, where Tm is the melting point in Kelvin
and Tb is the boiling point in Kelvin. Program used the
structure for 1-tridecene.
-10.9°C
Reliability:
(2) Reliable with restrictions. The result is
calculated data based on chemical structure as modeled
by EPIWIN.
Flag:
Key study for SIDS endpoint
References:
Joback, K.G. 1982. A Unified Approach to Physical
Property Estimation Using Multivariate Statistical
Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E.
Poling, Eds.
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
H.
Test Substance
Identity:
CAS No. 2437-56-1, 1-Tridecene
Method
GLP:
Year:
No data
No data
No data
Results:
Melting point
value:
-13 °C
Decomposition:
Sublimation:
No data
No data
Reliability:
Flag:
References:
2.2
(2) Reliable with restrictions. The result is
experimental data as cited in the EPIWIN database. These
data were not reviewed for quality.
Key study for SIDS endpoint
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
Boiling Point
UNEP PUBLICATIONS
429
OECD SIDS
2. PHYSICO-CHEMICAL DATA
A.
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Test Substance
Identity:
CAS No. 85535-87-1, Alkenes, C10-13
Method:
ASTM D86
GLP:
Year:
Yes [ ] No[X ]
1982
Results:
Boiling point value:
183-236°C
Pressure:
1013.25 hPa
Decomposition:
Yes [ ] No [X ] Ambiguous [ ]
Reliability:
for quality.
(4)
References:
B.
Not assignable.
These data were not reviewed
Enichem Augusta Industrials, Milan
Test Substance
Identity:
CAS No. 85535-87-1, Alkenes, C10-13
Method:
ASTM D86
GLP:
Year:
Yes [ ] No[X ]
1982
Results:
Boiling point value:
170-233°C
Pressure:
1013.25 hPa
Decomposition:
Reliability:
References:
C.
430
Yes [ ] No [X ] Ambiguous [ ]
(2) Reliable with restrictions: Reliable source but
these data were not reviewed for quality.
Shell Chemicals UK Ltd, Chester
Test Substance
Identity:
Method
CAS No. 25339-53-1, Decene
Method:
GLP:
Year:
No data
No data
No data
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Results
Boiling point value:
Pressure:
D.
170°C
1013 hPa
Decomposition:
No data
Reliability:
(2) Reliable with restrictions. The result is
experimental data as cited in the EPIWIN database. These
data were not reviewed for quality.
Flag:
Key study for SIDS endpoint.
References:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
Test Substance
Identity:
Method
CAS No. 28761-27-5, Undecene (mixture of isomers)
Method:
GLP:
Year:
No data
No data
No data
Results
Boiling point value:
194°C
Pressure:
1013 hPa
Decomposition:
No data
E.
Reliability:
(2) Reliable with restrictions. The result is
experimental data as cited in the EPIWIN database. These
data were not reviewed for quality.
Flag:
Key study for SIDS endpoint.
References:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
Test Substance
Identity:
CAS No. 25378-22-7, Dodecene
Method
Method/
guideline followed:
GLP:
Year:
No data
No data
No data
Test Conditions:
No data
UNEP PUBLICATIONS
431
OECD SIDS
2. PHYSICO-CHEMICAL DATA
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Results
Boiling point
value in °C:
Pressure:
Pressure unit:
F.
213.8°C
1013
hPa
Reliability:
(2) Reliable with restrictions. The result is measured
data as cited in the EPIWIN database. These data were
not reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
Test Substance
Identity:
CAS No. 25377-82-6, Tridecene
Method
Method/
guideline followed:
Calculated value using MPBPWIN version 1.41, a
subroutine of EPIWIN version 3.11
GLP:
Not applicable
Year:
Not applicable
Test Conditions:
Boiling Point is calculated by the MPBPWIN subroutine,
which is based on the method of Stein and Brown (1994).
Program used the structure for 1-tridecene.
Results
Boiling point
value in °C:
Pressure:
Pressure unit:
224°C
1013
hPa
Reliability:
(2) Reliable with restrictions. The result is
calculated data based on chemical structure as modeled
by EPIWIN.
Flag:
Key study for SIDS endpoint
References:
Stein, S. and R. Brown (1994) Estimation of normal
boiling points from group contributions (1994) J. Chem.
Inf. Comput. Sci. 34: 581-587.
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
G.
Test Substance
Identity:
CAS No. 2437-56-1, 1-Tridecene
Method
432
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Method/
guideline followed:
GLP:
Year:
No data
No data
No data
Test Conditions:
No data
Results
Boiling point
value in °C:
Pressure:
Pressure unit:
2.3
A.
233°C
1013
hPa
Reliability:
(2) Reliable with restrictions. The result is measured
data as cited in the EPIWIN database. These data were
not reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
Density (Relative Density)
Test Substance
Identity:
CAS No. 85535-87-1, Alkenes, C10-13
Method
Method:
GLP:
ISO 3675
Yes [ ] No [X ] ? [ ]
Results
B.
Type:
Value:
Temperature:
Bulk density [ ]; Density [x ]; Relative Density [ ]
740 kg/m3
20°C
Reliability:
(4) Not assignable.
quality.
Reference:
Shell Chemicals UK Ltd, Chester as cited in IUCLID
These data were not reviewed for
Test Substance
Identity:
CAS No. 85535-87-1, Alkenes, C10-13
Method
UNEP PUBLICATIONS
433
OECD SIDS
2. PHYSICO-CHEMICAL DATA
Method:
GLP:
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
ISO 3675
Yes [ ] No [X ] ? [ ]
Results
Type:
Value:
Temperature:
Bulk density [ ]; Density [x ]; Relative Density [ ]
750 kg/m3
20°C
Reliability:
(2) Reliable with restrictions: Reliable source but
these data were not reviewed for quality.
Reference:
Shell Chemicals UK Ltd, Chester
2.4
Vapour Pressure
A.
Test Substance
Identity:
C10-13 n-olefins
Method
Method:
calculated by addition of the contributions (molar
percentage) of the homologues
GLP:
Yes [ ] No [X ]
Year:
1989
Results
Vapour Pressure value: 0.66 hPa
Temperature:
20O C
Decomposition:
Yes [] (temperature °C) No [x ] Ambiguous [ ]
Reliability:
calculated .
References:
B.
(2)
Reliable with restrictions: The value is
Enichem Augusta Industrials, Milan
Test Substance
Identity:
CAS No. 872-05-9, 1-Decene
Method
Method/
guideline followed:
GLP:
Year:
No data
No data
No data
Test Conditions:
No data
Results
Vapor Pressure
Value:
Temperature:
Remarks:
434
2.23 hPa
25°C
Reported as 1.67 mm Hg (25°C)
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
C.
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Reliability:
(2) Reliable with restrictions. The result is measured
data as cited in the EPIWIN database. These data were
not reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
Daubert, T.E. and R.P. Danner (1989) Physical and
Thermodynamic Properties of Pure Chemicals: Data
Compilation; Design Institute for Physical Property
Data, American Institute of Chemical Engineers.
Hemisphere Pub. Corp., New York, NY ; EPIWIN (2000a)
Estimation Program Interface for Windows, version 3.10.
Syracuse Research Corporation, Syracuse, NY. USA.
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Method/
guideline followed:
Calculated value using the computer program EPIWIN
v. 3.10, MPBPWIN v 1.40
GLP:
Not applicable
Year:
Not applicable
Test Conditions:
Vapor Pressure is calculated by the MPBPWIN subroutine,
which is based on the average result of the methods of
Antoine and Grain. Both methods use boiling point for
the calculation. The Antoine Method is described by
Lyman et al., 1990. A modified Grain Method is
described by Neely and Blau, 1985.
The calculation
used an experimental value for BP of 170 °C from EPIWIN
database.
Results
Vapor Pressure
value:
2.79 hPa
Temperature (°C ): 25°C
Remarks:
Reported as 2.09 mm Hg
Reliability:
(2) Reliable with restrictions. The result is
calculated data as modeled by EPIWIN using measured data
as cited in the EPIWIN database. These data were not
reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds.
(1990) Handbook of Chemical Property Estimation. Chapter
14. Washington, D.C.: American Chemical Society.
Neely and Blau (1985) Environmental Exposure from
Chemicals, Volume 1, p. 31, CRC Press.
UNEP PUBLICATIONS
435
OECD SIDS
2. PHYSICO-CHEMICAL DATA
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
D.
Test Substance
Identity:
CAS No. 28761-27-5, Undecene (mixture of isomers)
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
Calculated value using the computer program EPIWIN
v. 3.11, MPBPWIN v 1.41
Not applicable
Not applicable
Vapor Pressure is calculated by the MPBPWIN subroutine,
which is based on the average result of the methods of
Antoine and Grain. Both methods use boiling point for
the calculation. The Antoine Method is described by
Lyman et al., 1990. A modified Grain Method is
described by Neely and Blau, 1985.
The calculation
used an experimental value for BP of 194 °C from EPIWIN
database.
Results
Vapor Pressure
value:
0.9172 hPa
Temperature (°C ): 25°C
Remarks:
Reported as 0.688 mm Hg
Reliability:
(2) Reliable with restrictions. The result is
calculated data as modeled by EPIWIN using measured data
as cited in the EPIWIN database. These data were not
reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds.
(1990) Handbook of Chemical Property Estimation. Chapter
14. Washington, D.C.: American Chemical Society.
Neely and Blau (1985) Environmental Exposure from
Chemicals, Volume 1, p. 31, CRC Press.
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
E.
Test Substance
Identity:
CAS No. 25378-22-7, Dodecene
Method
Method/
guideline followed:
436
Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
GLP:
Year:
Not applicable
Test Conditions:
Vapor Pressure is calculated by the MPBPWIN subroutine,
which is based on the average result of the methods of
Antoine and Grain. Both methods use boiling point for
the calculation. The Antoine Method is described by
Lyman et al., 1990. A modified Grain Method is
described by Neely and Blau, 1985. The calculation used
an experimental value for BP of 213.8 °C from the EPIWIN
database.
Results
Vapor Pressure
Value:
Temperature:
Remarks:
0.356 hPa
25°C
Reported as 0.267 mm Hg (25°C)
Reliability:
(2) Reliable with restrictions. The result is
calculated data as modeled by EPIWIN.
Flag:
Key study for SIDS endpoint
References:
Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds.
(1990) Handbook of Chemical Property Estimation. Chapter
14. Washington, D.C.: American Chemical Society.
Neely and Blau (1985) Environmental Exposure from
Chemicals, Volume 1, p. 31, CRC Press.
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
F.
Test Substance
Identity:
CAS No. 112-41-4, 1-Dodecene
Method
Method/
guideline followed:
GLP:
Year:
No data
No data
No data
Test Conditions:
No data
Results
Vapor Pressure
Value:
Temperature:
Remarks:
0.212 hPa
25°C
Reported as 0.159 mm Hg (25°C)
Reliability:
(2) Reliable with restrictions. The result is
experimental data as cited in EPIWIN.
Flag:
Key study for SIDS endpoint
UNEP PUBLICATIONS
437
OECD SIDS
2. PHYSICO-CHEMICAL DATA
References:
G.
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Daubert, T.E. and R.P. Danner (1989) Physical and
Thermodynamic Properties of Pure Chemicals: Data
Compilation; Design Institute for Physical Property
Data, American Institute of Chemical Engineers.
Hemisphere Pub. Corp., New York, NY; EPIWIN (2000a)
Estimation Program Interface for Windows, version 3.10.
Syracuse Research Corporation, Syracuse, NY. USA.
Test Substance
Identity:
CAS No. 25377-82-6, Tridecene
Method
Method/
guideline followed:
Calculated value using MPBPWIN version 1.41, a
subroutine of EPIWIN version 3.11
GLP:
Not applicable
Year:
Test Conditions:
Vapor Pressure is calculated by the MPBPWIN subroutine,
which is based on the average result of the methods of
Antoine and Grain. Both methods use boiling point for
the calculation. The Antoine Method is described by
Lyman et al., 1990. A modified Grain Method is
described by Neely and Blau, 1985. The calculation used
an experimental value for BP of 232.8 °C from the EPIWIN
database.
Results
Vapor Pressure
Value:
Temperature:
Remarks:
0.13999 hPa
25°C
Reported as 0.105 mm Hg (25°C)
Reliability:
(2) Reliable with restrictions. The result is
calculated data as modeled by EPIWIN.
Flag:
Key study for SIDS endpoint
References:
Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds.
(1990) Handbook of Chemical Property Estimation. Chapter
14. Washington, D.C.: American Chemical Society.
Neely and Blau (1985) Environmental Exposure from
Chemicals, Volume 1, p. 31, CRC Press.
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
H.
Test Substance
Identity:
CAS No. 2437-56-1, 1-Tridecene
Method
Method/
guideline followed:
438
No data
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
GLP:
Year:
No data
No data
Test Conditions:
No data
Results
Vapor Pressure
Value:
Temperature:
Remarks:
0.0851 hPa
25°C
Reported as 0.0638 mm Hg (25°C)
Reliability:
(2) Reliable with restrictions. The result is
experimental data as cited in EPIWIN.
Flag:
Key study for SIDS endpoint
References:
Daubert, T.E. and R.P. Danner (1989) Physical and
Thermodynamic Properties of Pure Chemicals: Data
Compilation; Design Institute for Physical Property
Data, American Institute of Chemical Engineers.
Hemisphere Pub. Corp., New York, NY; EPIWIN (2000b).
Estimation Program Interface for Windows, version 3.11.
EPI Suite™ software, U.S. Environmental Protection
Agency, Office of Pollution Prevention and Toxics,
U.S.A.
2.5
Partition Coefficient (log10Kow)
A.
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Method:
GLP:
Year:
Test Conditions:
Calculated value using the computer program EPIWIN
version 3.10, KOWWIN v 1.66
Not applicable
Not applicable
Octanol / Water Partition Coefficient is calculated by
the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995). Program used the structure for 1-decene.
Results
Log Kow:
5.12
Temperature (°C ): Not applicable
Reliability:
(2) Reliable with restrictions. The result was
calculated based on chemical structure as modeled by
EIPWIN.
Flag:
Key study for SIDS endpoint
UNEP PUBLICATIONS
439
OECD SIDS
2. PHYSICO-CHEMICAL DATA
Reference:
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Meylan, W. and P. Howard (1995) Atom/fragment
contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.
EPIWIN (2000a). Estimation Program Interface for
Windows, version 3.10. Syracuse Research Corporation,
Syracuse, NY. USA.
B.
Test Substance
Identity:
CAS No. 28761-27-5, Undecene (mixture of isomers)
Method
Method:
GLP:
Year:
Test Conditions:
Calculated value using the computer program EPIWIN
version 3.11, KOWWIN v 1.67
Not applicable
Not applicable
Octanol / Water Partition Coefficient is calculated by
the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995). Program used the structure for 5-undecene.
Results
Log Kow:
5.53
Temperature (°C ): Not applicable
Reliability:
(2) Reliable with restrictions. The result was
calculated based on chemical structure as modeled by
EIPWIN.
Flag:
Key study for SIDS endpoint
Reference:
Meylan, W. and P. Howard (1995) Atom/fragment
contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
C.
Test Substance
Identity:
CAS No. 25378-22-7, Dodecene
Method
Method:
GLP:
Year:
440
Calculated value using the computer program EPIWIN
version 3.10, subroutine KOWWIN v 1.66
Not applicable
Not applicable
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
Test Conditions:
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Octanol / Water Partition Coefficient is calculated by
the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995). EPIWIN used structure for 1-dodecene.
Results
Log Kow:
6.10
Temperature (°C ): Not applicable
Reliability:
(2) Reliable with restrictions. The result was
calculated based on chemical structure as modeled by
EIPWIN.
Flag:
Key study for SIDS endpoint
Reference:
Meylan, W. and P. Howard (1995) Atom/fragment
contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.
EPIWIN (2000a) Estimation Program Interface for Windows, version 3.10.
Syracuse Research Corporation, Syracuse, NY. USA.
D.
Test Substance
Identity:
CAS No. 25377-82-6, Tridecene
Method
Method:
GLP:
Year:
Test Conditions:
Calculated value using the computer program EPIWIN
version 3.11, KOWWIN v 1.67
Not applicable
Not applicable
Octanol / Water Partition Coefficient is calculated by
the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995). Program used the structure for 1-tridecene.
Results
Log Kow:
6.59
Temperature (°C ): Not applicable
Reliability:
(2) Reliable with restrictions. The result was
calculated based on chemical structure as modeled by
EIPWIN.
Flag:
Key study for SIDS endpoint
Reference:
Meylan, W. and P. Howard (1995) Atom/fragment
contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
UNEP PUBLICATIONS
441
OECD SIDS
2. PHYSICO-CHEMICAL DATA
E.
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Test Substance
Identity:
CAS No. 85535-87-1, Alkenes, C10-13
Method
Method:
Year:
calculated fragment constants by Hansch and Leo
1979
Results
Log Pow:
Temperature:
5.4 - 7
20 OC
Reliability:
(4)
References:
Hansch C. and A. Leo (1979) Substituent constants for
correlation analysis in chemistry and biology, Wiley,
New York.
Not assignable.
Results are calculated.
Enichem Augusta Industrials, Milan, as cited in IUCLID
2.6.1
A.
Water Solubility (including *Dissociation Constant).
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
Calculated value using the computer program
EPIWIN, WSKOW v 1.41
Not applicable
Not applicable
Water Solubility is calculated by the WSKOW subroutine,
which is based on a Kow correlation method described by
Meylan et al., 1996. The calculation used an
experimental Log Kow of 5.70 (for 1-decene).
Results
Value(mg/L) at
temperature ( °C):
442
0.3288. mg/L (25°C)
Reliability:
(2) Reliable with restrictions. The result was
calculated.
Flag:
Key study for SIDS endpoint
References:
Meylan, W., P. Howard and R. Boethling (1996) Improved
method for estimating water solubility from
octanol/water partition coefficient. Environ. Toxicol.
Chem. 15:100-106.
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
B.
Test Substance
Identity:
CAS No. 28761-27-5, Undecene (mixture of isomers)
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
Calculated value using the computer program EPIWIN
3.11, subroutine WSKOW v 1.41
Not applicable
Not applicable
Water Solubility is calculated by the WSKOW
subroutine, which is based on a Kow correlation
method described by Meylan et al., 1996.
Estimated (EPIWIN) Log Kow value of 5.53 used for
calculation. EPIWIN used structure for 5-undecene
to calculate Log Kow.
Results
Value(mg/L) at
temperature ( °C):
0.4006 mg/L (25°C)
Reliability:
(2) Reliable with restrictions. The result is a
calculated value.
Flag:
Key study for SIDS endpoint
References:
Meylan, W., P. Howard and R. Boethling (1996)
Improved method for estimating water solubility
from octanol/water partition coefficient. Environ.
Toxicol. Chem. 15:100-106.
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
C.
Test Substance
Identity:
CAS No. 25378-22-7, Dodecene
Method
Method/
guideline followed:
GLP:
Year:
Calculated value using the computer program EPIWIN
3.11, subroutine WSKOW v 1.41
Not applicable
Not applicable
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443
OECD SIDS
2. PHYSICO-CHEMICAL DATA
Test Conditions:
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Water Solubility is calculated by the WSKOW
subroutine, which is based on a Kow correlation
method described by Meylan et al., 1996.
Estimated (EPIWIN) Log Kow value of 6.10 used for
calculation. EPIWIN used alpha structure to
calculate Log Kow. Measured melting point of -35.2
°C used.
Results
Value(mg/L) at
temperature ( °C):
0.1245 mg/L (25°C)
Reliability:
(2) Reliable with restrictions. The result is a
calculated value.
Flag:
Key study for SIDS endpoint
References:
Meylan, W., P. Howard and R. Boethling (1996)
Improved method for estimating water solubility
from octanol/water partition coefficient. Environ.
Toxicol. Chem. 15:100-106.
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
D.
Test Substance
Identity:
CAS No. 25377-82-6, Tridecene
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
Calculated value using the computer program EPIWIN
3.11, subroutine WSKOW v 1.41
Not applicable
Not applicable
Water Solubility is calculated by the WSKOW
subroutine, which is based on a Kow correlation
method described by Meylan et al., 1996.
Estimated (EPIWIN) Log Kow value of 6.59 used for
calculation. EPIWIN used alpha structure to
calculate Log Kow.
Results
Value(mg/L) at
temperature ( °C):
444
0.03674 mg/L (25°C)
Reliability:
(2) Reliable with restrictions. The result is a
calculated value.
Flag:
Key study for SIDS endpoint
References:
Meylan, W., P. Howard and R. Boethling (1996)
Improved method for estimating water solubility
from octanol/water partition coefficient. Environ.
Toxicol. Chem. 15:100-106.
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
2.6.2 Surface tension
No data available
2.7
Flash Point (Liquids)
A.
Test Substance
Identity:
CAS No. 85535-87-1, Alkenes, C10-13
Method
Method:
GLP:
ISO 2719
No data
Results
Value:
Type of test:
46°C
Closed cup [ X]; Open cup [ ]; Other [ ]
Reliability:
(2) Reliable with restrictions: Reliable source, but
these data were not reviewed for quality.
Reference:
2.8
Shell Chemicals UK Ltd, Chester
Auto Flammability (Solids/Gases)
No data available
2.9
Flammability
No data available
2.10
Explosive Properties
No data available
2.11
Oxidising Properties
No data available
2.12
Oxidation-Reduction Potential
No data available
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3. ENVIRONMENTAL FATE AND PATHWAYS
3.1
Stability
A.
Photodegradation
(1)
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Test Substance
Identity:
CAS No. 85535-87-1; alkenes, C10-13
Method
Method/
guideline followed:
Other: Technical discussion
Type:
GLP:
Year:
water
Not applicable
Not applicable
Test Conditions:
Not applicable
Results
Direct photolysis:
In the environment, direct photolysis will
not significantly contribute to the degradation of
constituent chemicals in the Higher Olefins
Category.
Remarks:
The direct photolysis of an organic molecule
occurs when it absorbs sufficient light energy to
result in a structural transformation (Harris,
1982a). The reaction process is initiated when
light energy in a specific wavelength range
elevates a molecule to an electronically excited
state. However, the excited state is competitive
with various deactivation processes that can
result in the return of the molecule to a non
excited state.
The absorption of light in the ultra violet (UV)visible range, 110-750 nm, can result in the
electronic excitation of an organic molecule.
Light in this range contains energy of the same
order of magnitude as covalent bond dissociation
energies (Harris, 1982a). Higher wavelengths (e.g.
infrared) result only in vibrational and
rotational transitions, which do not tend to
produce structural changes to a molecule.
The stratospheric ozone layer prevents UV light of
less than 290 nm from reaching the earth's
surface. Therefore, only light at wavelengths
between 290 and 750 nm can result in photochemical
transformations in the environment (Harris,
1982a). Although the absorption of UV light in the
290-750 nm range is necessary, it is not always
sufficient for a chemical to undergo photochemical
degradation. Energy may be re-emitted from an
excited molecule by mechanisms other than chemical
transformation, resulting in no change to the
parent molecule.
446
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3. ENVIRONMENTAL FATE AND PATHWAYS
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
A conservative approach to estimating a
photochemical degradation rate is to assume that
degradation will occur in proportion to the amount
of light wavelengths >290 nm absorbed by the
molecule (Zepp and Cline, 1977).
Olefins with one double bond, such as the
chemicals in the Higher Olefins category, do not
absorb appreciable light energy above 290 nm. The
absorption of UV light to cause cis-trans
isomerization about the double bond of an olefin
occurs only if it is in conjugation with an
aromatic ring (Harris, 1982a).
Products in the Higher Olefins Category do not
contain component molecules that will undergo
direct photolysis. Therefore, this fate process
will not contribute to a measurable degradative
removal of chemical components in this category
from the environment.
Reliability:
Not applicable
References:
Harris J C (1982a). Rate of Aqueous Photolysis.
Chapter 8 in: W. J. Lyman, W. F. Reehl, and D. H.
Rosenblatt, eds., Handbook of Chemical Property
Estimation Methods, McGraw-Hill Book Company, New
York, USA.
Zepp, R. G. and D. M. Cline (1977). Rates of
Direct Photolysis in the Aqueous Environment,
Environ. Sci. Technol., 11:359-366.
(2)
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Method/
guideline followed:
Calculated values using AOPWIN version 1.91,
a subroutine of the computer program EIPWIN
version 3.11 which uses a program described by
Meylan and Howard (1993). Program used the
structure for 1-decene.
Type:
GLP:
Year:
air
Not applicable
Not applicable
Results
Indirect photolysis
Sensitiser (type):
Rate Constant:
Degradation % after:
OH
35.83 E-12 cm3/molecule-sec
50% after 3.582 hrs (using 12-hr day and
avg. OH conc. of 1.5 E6 OH/cm3)
Sensitiser (type):
Ozone
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3. ENVIRONMENTAL FATE AND PATHWAYS
Rate Constant:
Degradation % after:
7 E11 mol/cm3)35.8302
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
1.2 E-17 cm3/molecule-sec
50% after 22.92 hrs (using avg. OH conc. of
Reliability:
(2) Reliable with restrictions. The value was
calculated data based on chemical structure as
modeled by EPIWIN. This robust summary has a
rating of 2 because the data are calculated and
not measured.
Flag:
Critical study for SIDS endpoint
References:
Meylan, W.M. and Howard, P.H.
1993.
Computer
estimation of the atmospheric gas-phase reaction
rate of organic compounds with hydroxyl radicals
and ozone. Chemosphere 26: 2293-99
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
(3)
Test Substance
Identity:
CAS No. 25377-82-6, Tridecene
Method
Method/
guideline followed:
Calculated values using AOPWIN version 1.91,
a subroutine of the computer program EIPWIN
version 3.11 which uses a program described by
Meylan and Howard (1993). Program used the
structure for 1-tridecene.
Type:
GLP:
Year:
air
Not applicable
Not applicable
Results
Indirect photolysis
Sensitiser (type):
OH
Rate Constant:
40.0693 E-12 cm3/molecule-sec
Degradation % after:
50% after 3.2 hrs (using 12-hr day and avg.
OH conc. of 1.5 E6 OH/cm3)
Sensitiser (type):
Rate Constant:
Degradation % after:
7 E11 mol/cm3)35.8302
448
Ozone
1.2 E-17 cm3/molecule-sec
50% after 22.92 hrs (using avg. OH conc. of
Reliability:
(2) Reliable with restrictions. The value was
calculated data based on chemical structure as
modeled by EPIWIN. This robust summary has a
rating of 2 because the data are calculated and
not measured.
Flag:
Critical study for SIDS endpoint
UNEP PUBLICATIONS
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
References:
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Meylan, W.M. and Howard, P.H.
1993.
Computer
estimation of the atmospheric gas-phase reaction
rate of organic compounds with hydroxyl radicals
and ozone. Chemosphere 26: 2293-99
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
B.
Stability in Water
Test Substance
Identity:
CAS No. 85535-87-1; alkenes, C10-13
Method
Method/
guideline followed:
Other – Technical Discussion
Type (test type):
GLP:
Yes [ ] No[ ]
Year:
Test Conditions:
Not applicable
Results:
Not applicable
Remarks:
Hydrolysis of an organic molecule occurs when a molecule
(R-X) reacts with water (H2O) to form a new carbonoxygen bond after the carbon-X bond is cleaved (Gould,
1959; Harris, 1982b). Mechanistically, this reaction is
referred to as a nucleophilic substitution reaction,
where X is the leaving group being replaced by the
incoming nucleophilic oxygen from the water molecule.
The leaving group, X, must be a molecule other than
carbon because for hydrolysis to occur, the R-X bond
cannot be a carbon-carbon bond. The carbon atom lacks
sufficient electronegativity to be a good leaving group
and carbon-carbon bonds are too stable (high bond
energy) to be cleaved by nucleophilic substitution.
Thus, hydrocarbons, including alkenes, are not subject
to hydrolysis (Harris, 1982b) and this fate process will
not contribute to the degradative loss of chemical
components in this category from the environment.
Under strongly acidic conditions the carbon-carbon
double bond found in alkenes, such as those in the
Higher Olefins Category, will react with water by an
addition reaction mechanism (Gould, 1959). The reaction
product is an alcohol. This reaction is not considered
to be hydrolysis because the carbon-carbon linkage is
not cleaved and because the reaction is freely
reversible (Harris, 1982b). Substances that have a
potential to hydrolyze include alkyl halides, amides,
carbamates, carboxylic acid esters and lactones,
epoxides, phosphate esters, and sulfonic acid esters
(Neely, 1985).
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ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
The substances in the Higher Olefins Category are
primarily olefins that contain at least one double bond
(alkenes). The remaining chemicals are saturated
hydrocarbons (alkanes). These two groups of chemicals
contain only carbon and hydrogen. As such, their
molecular structure is not subject to the hydrolytic
mechanism discussed above. Therefore, chemicals in the
Higher Olefins Category have a very low potential to
hydrolyze, and this degradative process will not
contribute to their removal in the environment.
Conclusions:
Reliability:
References:
In the environment, hydrolysis will not contribute to
the degradation of Alkenes, C10-13.
Not applicable
Gould, E.S. (1959) Mechanism and Structure in Organic
Chemistry,
Holt, Reinhart and Winston, New York, NY, USA.
Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in:
W.J. Lyman, W.F. Reehl, and D.H. Rosenblatt, eds.,
Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.
Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G.
E. Blau, eds. Environmental Exposure from Chemicals. Vol
I., pp. 157-173. CRC Press, Boca Raton, FL, USA.
C.
Stability In Soil
Data not available
3.2
Monitoring Data (Environment)
Data not available
3.3
Transport and Distribution
3.3.1
A.
Transport between environmental compartments
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Type:
Fugacity models, Mackay Levels I and
Remarks:
Trent University model used for calculations. Half-lives in
water, soil and sediment estimated using EPIWIN (EPIWIN,
2000b)
Chemical assumptions:
Molecular weight: 140
Water solubility: 0.329 g/m3
450
UNEP PUBLICATIONS
III
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
Vapor pressure:
Log Kow:
Melting point:
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
279 Pa (25°C)
5.70
-45.48°C
Half-life in air = 5.59 hr, half-life in water = 360 hr,
half-life in soil = 360 hr, half-life in sediment = 1440 hr
Environment name: EQC Standard Environment
All other parameters were default values. Emissions for Level
I = 1000 kg. Level III model assumed continuous 1000 kg/hr
releases to each compartment (air, water and soil).
Results
estimated
Media: Air, soil, water and sediment concentrations were
Air
Water
Soil
Sediment
Remarks:
Level I
98.1%
<1%
1.82%
<1%
Level III
1.32%
19.3%
36.3%
43.0%
Since default assumptions for release estimates were used,
resulting environmental concentrations are not provided.
Conclusions:
These results indicated that decene will partition
primarily to air under equilibrium conditions (Level I model),
but approximately equally to water, soil and sediment under
the assumed pattern of chemical release (equal loading of
water, soil and air) in the Level III model.
Reliability:
Flag:
(2) Valid with restrictions: Data are calculated.
Critical study for SIDS endpoint
References: Trent University (2004). Level I Fugacity-based Environmental
Equilibrium Partitioning Model (Version 3.00) and Level III
Fugacity-based Multimedia Environmental Model (Version 2.80.1.
Environmental Modeling Centre, Trent University, Peterborough,
Ontario. (Available at http://www.trentu.ca/cemc)
EPIWIN (2000b). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.
B.
Test Substance
Identity:
CAS No. 25377-82-6, Tridecene
Method
Type:
Fugacity models, Mackay Levels I and
III
Remarks:
Trent University model used for calculations. Half-lives in
water, soil and sediment estimated using EPIWIN (EPIWIN,
2000b)
Chemical assumptions:
UNEP PUBLICATIONS
451
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
Molecular weight:
Water solubility:
Vapor pressure:
Log Kow:
Melting point:
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
182
0.0367 g/m3
14 Pa (25°C)
6.59
-10.9°C
Half-life in air = 5.01 hr, half-life in water = 360 hr,
half-life in soil = 360 hr, half-life in sediment = 1440 hr
Environment name: EQC Standard Environment
All other parameters were default values. Emissions for Level
I = 1000 kg. Level III model assumed continuous 1000 kg/hr
releases to each compartment (air, water and soil).
Results
estimated
Media: Air, soil, water and sediment concentrations were
Air
Water
Soil
Sediment
Remarks:
Level I
79.9%
<1%
19.6%
<1%
Since default assumptions for release estimates were used,
resulting environmental concentrations are not provided.
Conclusions:
These results indicated that
primarily to air under equilibrium
but primarily to soil and sediment
of chemical release (equal loading
the Level III model.
Reliability:
Flag:
Level III
<1%
9.8%
26.8%
63%
tridecene will partition
conditions (Level I model),
under the assumed pattern
of water, soil and air) in
(2) Valid with restrictions: Data are calculated.
Critical study for SIDS endpoint
References: Trent University (2004). Level I Fugacity-based Environmental
Equilibrium Partitioning Model (Version 3.00) and Level III
Fugacity-based Multimedia Environmental Model (Version 2.80.1.
Environmental Modeling Centre, Trent University, Peterborough,
Ontario. (Available at http://www.trentu.ca/cemc)
EPIWIN (2000b). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.
C.
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
452
Type:
Volatilization from water
Remarks:
Calculated using the computer program EPIWIN version
3.10; based on Henry’s Law Constant of 2.68 atm-m3/mole
(HENRY experimental database).
UNEP PUBLICATIONS
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
D.
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Results:
Half-life from a model river: 1.209 hrs
Half-life from a model lake: 4.7 days
Reliability:
(2) Valid with restrictions:
References:
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
Values are calculated
Test Substance
Identity:
CAS No. 25377-82-6, Tridecene
Method
3.3.2
A.
Type:
Volatilization from water
Remarks:
3.11; based on
Calculated using the computer program EPIWIN version
Results:
Half-life from a model river: 1.4 hrs
Half-life from a model lake: 5.3 days
Reliability:
(2) Valid with restrictions:
References:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
Henry’s Law Constant of 2.61 atm-m3/mole (estimated by
Bond SAR Method by EPIWIN).
Values are calculated
Distribution
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Method:
Adsorption Coefficient (Koc) calculated value using the
computer program EPIWIN, PCKOC v 1.66 using the method
described by Meylan et al., 1992.
Test Conditions:
for 1-decene.
Based on chemical structure. Program used the structure
Results
Value:
Estimated Koc = 1724
Reliability:
(2)
Reliable with restrictions: Value is calculated.
Reference:
Meylan, W., P.H. Howard and R.S. Boethling (1992)
Molecular topology/fragment contribution method for
predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7.
UNEP PUBLICATIONS
453
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
B.
Test Substance
Identity:
CAS No. 25377-82-6, Tridecene
Method
Method:
Adsorption Coefficient (Koc) calculated value using the
computer program EPIWIN, PCKOC v 1.66 using the method
described by Meylan et al., 1992.
Test Conditions:
for 1-tridecene.
Based on chemical structure. Program used the structure
Results
Value:
Estimated Koc = 10,800
Reliability:
(2)
Reliable with restrictions: Value is calculated.
Reference:
Meylan, W., P.H. Howard and R.S. Boethling (1992)
Molecular topology/fragment contribution method for
predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7.
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
C.
Test Substance
Identity:
CAS No. 85535-87-1, Alkenes, C10-13
Method:
calculated Koc (soil partition coefficient)
Type:
Media:
Conditions:
adsorption
water-soil
Brigg’s Correlation : log Koc = 0.52 log Kow + 0.88
assuming log Kow = 7
Results
454
Value:
Koc
= 33,175
Reliability:
(2)
Reliable with restrictions: Result was calculated.
References:
ENICHEM, Environmental partitioning model: a computer
program prepared by Garlanda T and Mascero Garlanda M.
(1990).
Remarks:
IUCLID cites Shell Chemicals UK Ltd, Chester
UNEP PUBLICATIONS
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
D.
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Test Substance
Identity:
CAS No. 85535-87-1, Alkenes, C10-13
Type:
Media:
Method:
volatility
water – air
Calculated
Results
E.
Value:
Henry’s Law constant =
Reliability:
calculated.
(2)
11178 x 100 Pa x mc/mol
Reliable with restrictions: Result was
References:
ENICHEM, Environmental partitioning model: a computer
program prepared by Garlanda T and Mascero Garlanda M.
(1990)
Remarks:
IUCLID cites Enichem Augusta Industrials, Milan
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Method:
Henry’s Law Constant calculated value using the computer
program EPIWIN, HENRY v 3.10
Test Conditions:
Bond and Group estimates based on chemical structure, at
25°C; VP/water solubility estimates based on values of
VP = 2.09 mm Hg and WS = 0.329 mg/L. Program used the
structure for 1-decene.
Results
F.
Value:
Bond estimate = 1.11 atm-m3/mole
Group estimate = 2.13 atm-m3/mole
VP/Wsol estimate = 1.17 atm-m3/mole
Reliability:
(2)
Reference:
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
Reliable with restrictions: Values are calculated.
Test Substance
Identity:
CAS No. 25377-82-6, Tridecene
Method
Method:
Henry’s Law Constant calculated value using the computer
program EPIWIN, HENRY v 3.11
UNEP PUBLICATIONS
455
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
Test Conditions:
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Bond and Group estimates based on chemical structure, at
25°C; VP/water solubility estimates based on values of
VP = 0.105 mm Hg and WS = 0.3067 mg/L. Program used the
structure for 1-tridecene.
Results
Value:
Bond estimate = 2.61 atm-m3/mole
Group estimate = 6.00 atm-m3/mole
VP/Wsol estimate = 0.686 atm-m3/mole
Reliability:
(2)
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
Reliable with restrictions: Values are calculated.
3.4
Aerobic Biodegradation
A.
Test Substance:
C10-13 Internal Olefins
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 3747%); CAS No. 25377-82-6 (C13 = 8-17%)
Method/guideline:
EEC Directive 84/449/EEC; Similar to OECD
Closed Bottle Test.
aerobic
Yes
1984
28 days
activated sludge
Test Type:
GLP:
Year:
Contact time:
Innoculum:
456
(Shop Olefins 103 PQ11), linear
(301 D)
Test Conditions:
Microorganisms were obtained from Sittingbourne Sewage
Works (UK) and prepared according to standard test
protocols. C10-13 Alpha Olefin was added to the test
medium from a stock solution containing 2.4 g/L
emulsified in Dobane PT sulphonate. The final test
concentration was 2 mg olefins 103/L. Test bottles were
incubated at 21±1°C and the extent of biodegradation was
determined by measuring oxygen concentration in the
bottles at days 5, 15 and 28. Controls with no
microbial innoculum (control) and with medium plus
microbial innoculum only (blank) were included. Sodium
benzoate was used as a biodegradable substance to
demonstrate the activity of the microbial innoculum.
Results:
Under these test conditions, 103 PQ11Olefin was oxidized
to 40% of the theoretical oxygen demand by day 5 and 6570% by day 28 with no lag period. There was no
significant inhibition of microbial activity under the
test conditions. The report indicated that 103 Olefin
was considered readily biodegradable; however,
insufficient information was available to determine
whether the 10-day window criterion was satisfied.
UNEP PUBLICATIONS
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
B.
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Reliability:
(2) Reliable with restrictions: No information on
kinetic of biodegradation or biodegradation of reference
substance.
References:
Miller RC, Watkinson RJ. (1984). Olefins 103 PQ 11: An
Assessment of Ready Biodegradability. Shell Research
Limited, Sittingbourne Research Center (unpublished
report).
Test Substance
Identity:
C10-13 Internal Olefins
linear
(Shop Olefins 103), internal
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 3747%); CAS No. 25377-82-6 (C13 = 8-17%)
Method
Method/guideline:
OECD 301D Closed Bottle Test
Type:
Aerobic [X ] Anaerobic [ ]
GLP:
Yes
Year:
1985
Contact time:
28 days
Inoculum:
Activated domestic sludge
Test Conditions:
Microorganisms were obtained from Sittingbourne Sewage
Works (UK) and prepared according to standard test
protocols. C10-13 Olefin was added to the test medium
from a stock solution containing 2.4 g/L emulsified in
Dobane PT sulphonate. The final test concentration was
2 mg olefins 103/L. Test bottles were incubated at
21±1°C and the extent of biodegradation was determined
by measuring oxygen concentration in the bottles at days
5, 15 and 28. Controls with no microbial innoculum
(control) and with medium plus microbial innoculum only
(blank) were included. Sodium benzoate was used as a
biodegradable substance to demonstrate the activity of
the microbial innoculum.
Results:
Under these test conditions, 103 Olefin was oxidized to
54% of the theoretical oxygen demand by day 5 and 60-67%
by day 28 with no lag period.
89% of the possible
oxygen demand had been consumed in the bottles titrated
on day 15.
Based on the 15-day results, the 10-day
window criterion for “readily biodegradable” appears to
have been met; however, the lower values found on day 28
confound the evaluation.
Reliability:
(2) Reliable with restrictions: Insufficient information
on kinetic of biodegradation or biodegradation of
reference substance.
Reference:
Turner, S.J., Watkinson, R.J., (1985) Shop Olefins 103:
An assessment of Ready Biodegradability, Sittingbourne,
Shell Research Limited, SBGR.85.106 (unpublished
report).
UNEP PUBLICATIONS
457
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
C.
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Test Substance
Identity:
CAS No. 68526-56-7; Alkenes, C9-11, C10 Rich
Method
Method/guideline:
OECD 301F, Ready Biodegradability, Manometric
Respirometry Test
Type:
Aerobic [X ] Anaerobic [ ]
GLP:
Yes
Year:
1995
Contact time:
28 days
Inoculum:
Domestic activated sludge
Test Conditions:
Activated sludge and test medium were combined prior to
test material addition. Test medium consisted of glass
distilled water and mineral salts (phosphate buffer,
ferric chloride, magnesium sulfate, and calcium
chloride).
Test vessels were 1L glass flasks placed in a waterbath
and electronically monitored for oxygen consumption.
Test material was tested in triplicate, controls and
blanks were tested in duplicate. Test material loading
was approximately 42 mg/L. Sodium benzoate (positive
control) concentration was approximately 44 mg/L. Test
temperature was 22 +/- 1 Deg C.
All test vessels were stirred constantly for 28 days
using magnetic stir bars and plates.
Results:
Approximately 21% biodegradation of the test material
was measured on day 28. Approximately 10% biodegradation
was achieved on day 17.
By day 14, >60% biodegradation of the positive control
was measured, which meets the guideline requirement. No
excursions from the protocol were noted.
Biodegradation was based on oxygen consumption and the
theoretical oxygen demand of the test material as
calculated using results of an elemental analysis of the
test material.
% Degradation*
Mean %
(day 28)
20.9, 19.9, 22.6
98.9, 95.5
(day 28)
21.1
97.2
Degradation
Sample
Test Material
Na Benzoate
* replicate data
Reliability:
458
(1) Reliable without restriction
Flag:
Key study for SIDS endpoint
Reference:
Exxon Biomedical Sciences, Inc. (1997) Ready
Biodegradability: OECD 301F Manometric Respirometry.
UNEP PUBLICATIONS
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Study #119294A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).
3.5
BOD5, COD or ratio BOD5/COD
No data available
3.6
Bioaccumulation
A.
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Method
Method:
BCF calculated value using the computer program EPIWIN,
BCF v 2.15
Test Conditions:
Based on chemical structure and an experimental Log Kow
of 5.70 from the EPIWIN database, using methods
described by Meylan et al., 1999. Formula used to make
BCF estimate: Log BCF = 0.77 log Kow – 0.70 + correction
(alkyl chains [8+ -CH2- groups] with a value of -1).
Results
Value:
Estimated Log BCF =
2.689 (BCF = 488.7)
Reliability:
(2)
Reliable with restrictions: Results are calculated.
Reference:
Meylan,WM, Howard,PH, Boethling,RS et al. (1999)
Improved method for estimating bioconcentration /
bioaccumulation factor from octanol/water partition
coefficient. Environ. Toxicol. Chem. 18(4): 664-672
EPIWIN (2000b). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
B.
Test Substance
Identity:
CAS No. 25377-82-6, Tridecene
Method
Method:
BCF calculated value using the computer program EPIWIN,
BCF v 2.15
Test Conditions:
Based on chemical structure and a Log Kow of 6.59
estimated by EPIWIN, using the structure for 1tridecene and methods described by Meylan et al., 1999.
Formula used to make BCF estimate: Log BCF = 0.77 log
Kow – 0.70 + correction (alkyl chains [8+ -CH2- groups]
with a value of -1.5).
Results
Value:
Estimated Log BCF =
UNEP PUBLICATIONS
2.874 (BCF = 747.8)
459
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Reliability:
(2)
Reliable with restrictions: Results are calculated.
Reference:
Meylan,WM, Howard,PH, Boethling,RS et al. (1999)
Improved method for estimating bioconcentration /
bioaccumulation factor from octanol/water partition
coefficient. Environ. Toxicol. Chem. 18(4): 664-672
EPIWIN (2000b). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
3.7
Additional Information
A.
Sewage Treatment
Test Substance
Identity:
CAS No. 25339-53-1, Decene
Test Method:
Calculated, EPIWIN STP Fugacity Model, predicted fate in
a wastewater treatment facility. Input values:
MW
= 140.27; Henry’s LC = 2.68 atm-m3/mol; air-water
partition coefficient = 109.604; Log Kow =5.7; biomass
to water partition coefficient = 100,238; temperature =
25°C
No
Secondary waste water treatment (water)
Aerobic
GLP:
Test Medium:
Test Type:
Test Results:
Reference:
B.
99.89 % removed from wastewater treatment
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
Sewage Treatment
Test Substance
Identity:
CAS No. 25377-82-6, Tridecene
Test Method:
Calculated, EPIWIN STP Fugacity Model, predicted fate in
a wastewater treatment facility. Input values:
MW
= 182.35; Henry’s LC = 2.61 atm-m3/mol; air-water
partition coefficient = 106.741; Log Kow =6.59; biomass
to water partition coefficient = 778,091; temperature =
25°C
No
Secondary waste water treatment (water)
Aerobic
GLP:
Test Medium:
Test Type:
Test Results:
Reference:
460
99.51 % removed from wastewater treatment
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
4.1
Acute Toxicity to Fish
A.
Test Substance
Identity:
CAS No. 68526-56-7; Alkenes, C9-11, C10 Rich
Method
Method/guideline: OECD 203
Test type:
Semistatic Fish Acute Toxicity Test
GLP:
Yes [X ] No [ ]
Year:
1995
Species/Strain:
Rainbow Trout (Oncorhynchus mykiss)
Analytical Monitoring: Yes
Exposure period:
96 hours
Statistical methods:
Trimmed Spearman-Karber Method (Hamilton, M.A. et
al. 1977. Trimmed Spearman-Karber Method for Estimating
Median Lethal Concentration in Toxicity Bioassays.
Environ. Sci. Technol. 11:714-719.)
Test Conditions:
Each test solution was prepared by adding the test
substance, via syringe, to 19.5 L of laboratory blend
water in 20 L glass carboys. The solutions were mixed
for 24 hours with a vortex of <10%. Mixing was performed
using a magnetic stir plate and Teflon coated stir bar
at room temperature (approximately 22C). After mixing,
the solutions were allowed to settle for one hour after
which the Water Accommodated Fraction (WAF) was siphoned
from the bottom of the mixing vessel through a siphon
that was placed in the carboy prior to adding the test
material. Test vessels were 4.0 L aspirator bottles that
contained approximately 4.5 L of test solution. Each
vessel was sealed with no headspace after 4 fish were
added. Three replicates of each test material loading
were prepared. Approximately 80% of each solution was
renewed daily from a freshly prepared WAF.
Test material loading levels included: 0.2, 0.4, 1.2,
3.5, and 10 mg/L, which measured 0.01, 0.03, 0.06, 0.08,
and 2.6 mg/L, respectively, and are based on the mean of
samples taken from the new and old test solutions. A
control containing no test material was included and the
analytical results were below the quantitation limit,
which was 0.03 mg/L.
Water hardness was 160-180 mg/L as CaCO3. Test
temperature was 16C (sd = 0.2). Lighting was 445 to 555
Lux with a 16-hr light and 8-hr dark cycle. Dissolved
oxygen ranged from 8.7 to 9.9 mg/L for "new" solutions
and 7.2 to 8.5 mg/L for "old" solutions. The pH ranged
from 7.0 to 8.8 for "new" solutions and 7.3 to 8.7 for
"old" solutions.
Fish supplied by Thomas Fish Co. Anderson, CA, USA; age
at test initiation = approximately 5 weeks; mean wt. at
test termination = 0.175 g; mean total length at test
termination = 3.0 cm; test loading = 0.19 g of fish/L.
The fish were slightly shorter than the guideline
suggestion of 4.0 to 6.0 cm, which were purposely
selected to help maintain oxygen levels in the closed
UNEP PUBLICATIONS
461
OECD SIDS
4. ECOTOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
system. Fish size had no significant effect on study
outcome.
Results:
96-hour LL50 = 4.8 mg/L (95% CI 3.8 to 6.0 mg/L) based
upon loading rates.
96-hour LC50 = 0.12 mg/L (95% CI 0.11 to 0.14 mg/L)
based upon measured values of old and new solutions.
Analytical method used was Headspace Gas Chromatography
with Flame Ionization Detection (GC-FID).
Loading
Measured
Fish Total
Rate (mg/L) Conc. (mg/L)
Mortality (@96 hrs)*
Control
Control
0
0.2
0.01
0
0.4
0.03
0
1.2
0.06
0
3.5
0.08
3
10
0.26
15**
* 15 fish added at test initiation
** 1 mortality not test related
Reliability:
B.
(1) Reliable without restriction
Flag:
Key study for SIDS endpoint
References:
Exxon Biomedical Sciences, Inc. (1996) Fish, Acute
Toxicity Test. Study #119258. Exxon Biomedical Sciences,
Inc., East Millstone, NJ, USA (unpublished report).
Test Substance
Identity:
Olefins 103 PQ 11 (C10-C13 internal olefins), linear
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 3747%); CAS No. 25377-82-6 (C13 = 8-17%)
Method/Guideline: Not stated
Year (guideline): Not stated
Type (test type): Semi-static Fish Acute Toxicity Test
GLP: Not stated
Year (study performed): 1984
Species:
Rainbow Trout (Salmo gairdneri)
Analytical Monitoring: No
Exposure Period:
96 Hours
Statistical Method:
Visual inspection
Test Conditions:
462
Control and dilution water was laboratory mains
tap water obtained from bore holes in the chalk of North
Downs (U.K.). Water was dechlorinated and passed
through particle and activated carbon filters
(alkalinity 253 mg/L as CaCO3, hardness 274 mg/L as
CaCO3, conductivity 510 µS/cm, pH 7.3). Test vessels
were glass aquaria each filled with 10 L of water and
contained 10 fish per vessel. Quantities of test
substance were added directly to six aquaria to give
concentrations of 20, 50, 100, 200, 500, and 1000 mg/L.
The seventh aquarium served as a control and received no
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
test substance. The fish were not fed during the test.
Test fish had a mean length of 3.0 cm (range 2.5 to 3.3
cm) and a mean weight of 0.23 g (range 0.15 to 0.32 g).
Fingerlings were obtained from Itchen Valley Trout Farm,
Alresford, Hampshire, U.K. and acclimated to test
conditions for more than 10 days before use. One
replicate per treatment and control was used. The
aquaria were gently aerated to maintain dissolved oxygen
concentration. At 24 h intervals, the number of dead
fish was recorded and any dead removed, dissolved oxygen
and pH were measured in the old and fresh solutions of
the control and high concentration, and the test
solutions were renewed. Temperature in one test
aquarium was monitored at 4h intervals throughout the
test. Total hardness was determined in each batch of
fresh media. Test temperature was 13-17 Deg C. Dissolved
oxygen ranged from 10.0 to 10.4 mg/L in the fresh media
and 9.8 to 10.2 mg/L in the old solutions. pH was 8.2 –
8.4. Total hardness was 240-260 mg/L as CaCO3.
Photoperiod was not stated in the test report.
Results:
Units/Value:
C.
96h LL0
=1000 mg/L; LC50 > solubility
Remarks:
Observations made during the study suggest the test
substance was not wholly soluble at concentrations of
approximately 20 mg/L and greater as indicated by an
oily film visible on the surface of the test solutions.
Concentrations were expressed as the amount of test
substance added.
No fish died during the 96h exposure in the 1000 mg/L
treatment. The 96h LC50 was > solubility. There were
also 100% survival in the control, 50, 100, 200 and 500
mg/L treatments. One fish died (10% mortality) in the 20
mg/L treatment. Although the report did not state
whether the study was conducted under GLP, a quality
assurance statement was included stating that study
procedures were inspected and the report was audited.
Reliability:
(2) Reliable with restrictions. Test substance was not
wholly soluble at the concentrations tested. A more
appropriate and currently accepted method for preparing
test solutions for multi-component test substances with
low water solubility is the use of water accommodated
fractions. Other shortcomings of the study include: 1)
only one replicate per concentration was used, and 2)
analytical verification of the test substance in the
exposure solutions was not performed.
Reference:
Shell Research Limited (1984) Olefins 103 PQ 11: Acute
toxicity to Salmo gairdneri, Daphnia magna and
Selenastrum capricornutum. Sittingbourne Research
Centre, SBGR.83.359 (unpublished report).
Other:
This study was included in the dossier for 1-decene at
SIAM 11. Additional information has been added.
Test Substance
UNEP PUBLICATIONS
463
OECD SIDS
4. ECOTOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Identity:
SHOP Olefins 103 (C10-C13 linear internal olefins)
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 3747%); CAS No. 25377-82-6 (C13 = 8-17%)
Method/Guideline: Not stated
Year (guideline): Not stated
Type (test type): Semi-static Fish Acute Toxicity Test
GLP:
Not stated
Year (study performed):1985
Species:
Rainbow Trout (Salmo gairdneri)
Analytical Monitoring:No
Exposure Period: 96 Hours
Statistical Method:Visual inspection
Test Conditions:
Control and dilution water was laboratory mains
tap water obtained from bore holes in the chalk of North
Downs (U.K.). Water was dechlorinated and passed
through particle and activated carbon filters
(alkalinity 255 mg/L as CaCO3, hardness 270 mg/L as
CaCO3, conductivity 545 µS/cm, pH 7.4). Test vessels
were glass aquaria each filled with 10 L of water and
contained 10 fish per vessel. Quantities of test
substance were added directly to two aquaria to give
concentrations of 500 and 1000 mg/L. A third aquarium
served as a control and received no test substance. The
fish were not fed during the test. Test fish had a mean
length of 4.1 cm (range 3.9 to 4.5 cm) and a mean weight
of 0.66 g (range 0.47 to 0.86 g). Fingerlings were
obtained from Itchen Valley Trout Farm, Alresford,
Hampshire, U.K. and acclimated to test conditions for
more than 10 days before use. One replicate per
treatment and control was used. The aquaria were gently
aerated to maintain dissolved oxygen concentration. At
24 h intervals, the number of dead fish was recorded and
any dead removed, dissolved oxygen and pH were measured
in the old and fresh solutions of the control and high
concentration, and the test solutions were renewed.
Temperature in one test aquarium was monitored at 4h
intervals throughout the test. Total hardness was
determined in each batch of fresh media. Test
temperature was 18.5±1.0 Deg C. Dissolved oxygen ranged
from 9.6 to 10.2 mg/L in the fresh media and 9.0 to 9.8
mg/L in the old solutions. pH was 7.4 – 8.4. Total
hardness was 222-262 mg/L as CaCO3. Photoperiod was not
stated in the test report.
Results:
464
Units/Value:
96h LC50 was > solubility; LL0 = 1000 mg/L
Remarks:
The test substance was not wholly soluble at the test
concentrations and was visible as floating droplets.
Concentrations were expressed as the amount of test
substance added. Only one fish died during the 96h
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
exposure in the 1000 mg/L treatment. The 96h LC50 was >
solubility. There was 100% survival in the control and
500 mg/L treatment.
Reliability:
(2) Reliable with restrictions. Test substance was not
wholly soluble at the concentrations tested. A more
appropriate and currently accepted method for preparing
test solutions for multi-component test substances with
low water solubility is the use of water accommodated
fractions. Other shortcomings of the study include: 1)
only two concentrations were tested, 2) only one
replicate per concentration was used, and 3) analytical
verification of the test substance in the exposure
solutions was not performed.
Reference:
Shell Research Limited (1985) SHOP Olefins 103: Acute
toxicity (Salmo gairdneri, Daphnia magna and Selenastrum
capricornutum) and n-octanol/water partition
coefficient. Sittingbourne Research Centre, SBGR.85.182
(unpublished report).
Other:
This study was included in the dossier for 1-decene at
SIAM 11. Additional information has been added.
4.2
Acute Toxicity to Aquatic Invertebrates (e.g. Daphnia)
A.
Test Substance
Identity:
Olefins 103 PQ 11 (C10-C13 linear internal olefins)
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 3747%); CAS No. 25377-82-6 (C13 = 8-17%)
Method/Guideline: Not stated
Year (guideline): Not stated
Type (test type): Static Daphnid Acute Toxicity Test
GLP:
Not stated
Year (study performed): 1983
Species:
Water Flea (Daphnia magna)
Analytical Monitoring: No
Exposure Period: 48 hours
Statistical Method:
Probit analysis
Test Conditions:
Nominal loading rates in the definitive test were
0, 0.05, 0.1, 0.2, 0.5, 1, 2, and 5 mg/L. Control and
dilution water was reconstituted hard water prepared by
adding salts to glass-distilled deionized water
following EPA guidelines (hardness 170 mg/L as CaCO3).
Quantities of stock solutions of the test substance in
acetone were added to triplicate sets of 140 ml conical
flasks and made up to 140ml with dilution water. Three
flasks served as controls and received no test
substance. Acetone concentration in control and test
flasks was 0.1 ml/L. Ten daphnids, less than 24h old,
were placed in each flask. Daphnids were obtained from
laboratory cultures and collected from cultures aged
between 15 and 35 days. Young for testing were not taken
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ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
from cultures containing adults with ephippia. In order
to minimize daphnids from potentially being trapped in
undissolved test substance at the surface of the test
solutions, loosely fitting black paper caps were placed
over the flasks to create a darkened zone which the
daphnids would avoid. After 24 and 48h, the numbers of
immobilized daphnids were recorded. Temperature in one
test vessel was monitored at 4h intervals. The pH and
dissolved oxygen concentration in a control and highest
treatment were determined at test initiation and
termination. Total hardness of the dilution water used
was measured at the beginning of the test. Test
temperature was 18 – 22 Deg C. Photoperiod was 16 hrs
light and 8 hrs dark. Dissolved oxygen ranged from 8.8
to 9.2 mg/L. pH was 8.0 – 8.3. Total hardness of the
water was 170 mg/L as CaCO3.
Results:
Units/Value:
B.
466
48-h EL50 = 0.74 mg/L (nominal)
Remarks
No undissolved test substance was observed even at 5
mg/L, the highest concentration tested.. Concentrations
were expressed as the amount of test substance added.
48-h EL50 = 0.74 mg/L (nominal) with 95% confidence
limits of 0.61-0.88 mg/L. There was no immobilization of
D. magna in the control, 0.05, and 0.1mg/L after 48-h.
There were 1 (3.3%), 7 (23.3%), 19 (63.3%), 30 (100%)
and 30 (100%) daphnids immobilized in the 0.2, 0.5, 1,
2, and 5 mg/L, respectively. Although the report did not
state whether the study was conducted under GLP, a
quality assurance statement was included stating that
study procedures were inspected and the report was
audited.
Reliability:
(2) Reliable with restrictions. This study was well
documented and comparable to a guideline study.
Information provided indicate that test concentrations
did not appear to have exceeded water solubility of the
test substance as evidenced by absence of undissolved
material in the exposure solutions. However, analytical
verification of the test substance in the test solutions
was not performed.
Flag:
Key study for SIDS endpoint
Reference:
Shell Research Limited (1984) Olefins 103 PQ 11: Acute
toxicity to Salmo gairdneri, Daphnia magna and
Selenastrum capricornutum. Sittingbourne Research
Centre, SBGR.83.359 (unpublished report).
Other:
This study was included in the dossier for 1-decene at
SIAM 11. Additional information has been added.
Test Substance
Identity:
SHOP Olefins 103 (C10-C13 linear internal olefins)
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 3747%); CAS No. 25377-82-6 (C13 = 8-17%)
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Method/Guideline: Not stated
Year (guideline): Not stated
Type (test type): Static Daphnid Acute Toxicity Test
GLP: Yes
Year (study performed): 1985
Species:
Water Flea (Daphnia magna)
Analytical Monitoring: No
Exposure Period: 48 hours
Statistical Method:
Probit analysis
Test Conditions:
Nominal loading rates in the definitive test were
0, 1.0, 2.2, 4.6, 10, 22, 46, 100, 220, 460 and 1000
mg/L. Control and dilution water was reconstituted hard
water prepared by adding salts to glass-distilled
deionized water following EPA guidelines (hardness 168169 mg/L as CaCO3). Before use, a soil extract was added
to the reconstituted fresh water at 20 ml/L. The soil
extract was prepared by autoclaving 100 g soil/L
distilled water for 15 min at 120 deg C and filtered
through Whatman GF/C filter. Quantities of stock
solutions of the test substance in Analar acetone were
added to triplicate sets of 140 ml glass flasks and made
up to 140ml with dilution water. Three flasks served as
controls and received no test substance. Acetone
concentration in control and test flasks was 0.1 ml/L.
Ten daphnids, less than 24h old, were placed in each
flask. Daphnids were obtained from laboratory cultures
and collected from cultures aged between 15 and 35 days.
Young for testing were not taken from cultures
containing adults with ephippia. In order to minimize
daphnids being trapped in the surface layer of test
substance visible at all test concentrations, loosely
fitting black caps were placed over the flasks to create
a darkened zone which the daphnids would avoid. After
24 and 48h, the numbers of immobilized daphnids were
recorded. Temperature in one test vessel was monitored
at 4h intervals. The pH and dissolved oxygen
concentration in a control and highest treatment were
determined at test initiation and termination. Total
hardness of the dilution water used was measured at the
beginning of the test. Test temperature was 18 – 22 Deg
C. Photoperiod was 16 hrs light and 8 hrs dark.
Dissolved oxygen ranged from 8.6 to 9.0 mg/L. pH was 8.0
– 8.4. Total hardness of the water was 170 mg/L as
CaCO3.
Results:
Units/Value:
Remarks:
48-h EL50 = 480 mg/L (nominal)
The test substance was not wholly soluble at all test
concentrations and was visible at the surface.
Concentrations were expressed as the amount of test
substance added. 48-h EL50 = 480 mg/L with 95%
confidence limits of 400-580 mg/L. There was no
immobilization of D. magna in the control, 1.0, 2.2,
4.6, 10, 22, 46 and 100 mg/L after 48-h. There were 3
(10%), 14 (46.7%), and 27 (90%) daphnids immobilized in
the 220, 460, and 1000 mg/L, respectively.
UNEP PUBLICATIONS
467
OECD SIDS
4. ECOTOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Reliability:
(3) Not Reliable. Test substance was not wholly soluble
at the concentrations tested despite the use of a
solvent carrier to prepare stock solutions. A more
appropriate and currently accepted method for preparing
test solutions for multi-component test substances with
low water solubility is the use of water accommodated
fractions. Analytical verification of the test substance
in the exposure solutions was also not performed.
Reference:
Shell Research Limited (1985) SHOP Olefins 103: Acute
toxicity (Salmo gairdneri, Daphnia magna and Selenastrum
capricornutum) and n-octanol/water partition coefficent.
Sittingbourne Research Centre, SBGR.85.182 (unpublished
report).
Other:
This study was included in the dossier for 1-decene at
SIAM 11. Additional information has been added.
4.3
Toxicity to Aquatic Plants (e.g. Algae)
A.
Test Substance
Identity:
Olefins 103 PQ 11 (C10-C13 linear internal olefins)
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 3747%); CAS No. 25377-82-6 (C13 = 8-17%)
Method/Guideline: Not stated
Year (guideline): Not stated
Type (test type): Algal Toxicity Test
GLP:
Not stated
Year (study performed): 1983
Species:
Freshwater Green Alga (Selenastrum capricornutum)
Analytical Monitoring: No
Exposure Period: 4 days
Statistical Method:
EL50 values determined by probit analysis
Test Conditions:
468
Control and dilution water was algal nutrient
medium prepared by dissolving Analar grade salts in
glass-distilled deionized water according to EPA
guidelines except that boric acid was present at 105
µg/L and sodium bicarbonate at 50 mg/L. Sixteen
Erlenmeyer flasks containing 50 ml of culture medium
were prepared. Quantities of stock solutions of the test
substance in acetone were added to ten flasks to give
concentrations of 1.0, 2.2, 4.6, 10, 22, 46, 100, 220,
460, and 1000 mg/L. Six flasks served as controls and
received no test substance. Acetone concentration in the
control and treatment flasks was 0.1 ml/L. Each flask
was inoculated with algal cells to yield an initial
concentration of 500 cells/ml. Algal cells were obtained
from laboratory cultures that were originally derived
from a strain from American Type Culture Collection
(ATCC 22662). Flasks were incubated in a cooled orbital
(100 cycles/min) incubator under constant illumination
(~3000 lux) at 22-26 deg C (monitored at 4h intervals).
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
After 2 and 4 days incubation, cell counts were made
using a Coulter Counter. The initial pH in the control
and highest concentration was 7.9 – 8.0. The 96h EC50
(concentration causing a 50% reduction in cell number at
day 4 compared to mean control cell number at day 4) was
calculated using log transformed concentration values.
Results:
Units/Value:
mg/L
Remarks:
Nominal
Conc. (mg/L)
Control
1.0
2.2
4.6
10
22
46
100
220
460
1000
96h EL50 based on cell numbers at day 4 was 24
The test substance was not wholly soluble at
concentrations of approximately 20 mg/L and greater as
indicated by an oily film visible on the surface of the
test solutions. Concentrations were expressed as the
amount of test substance added. The 96h EC50 based on
cell numbers at day 4 was 24 mg/L with 95% confidence
limits of 2.9-79 mg/L).
Day 4 Cell Conc.
(cells/ml x 106)
1.03(mean)
1.1
1.1
1.1
0.87
0.33
0.092
0.13
0.11
0.093
0.096
Day 4 cell number as %
Day 4 mean control cell number
112
110
108
85
32
9
13
11
9
9
Although the report did not state whether the study was
conducted under GLP, a quality assurance statement was
included stating that study procedures were inspected
and the report was audited.
B.
Reliability:
(3) Not Reliable. Test substance was not wholly soluble
at some of the concentrations tested despite the use of
a solvent carrier to prepare stock solutions. A more
appropriate and currently accepted method for preparing
test solutions for multi-component test substances with
low water solubility is the use of water accommodated
fractions. Other shortcomings of the study include: 1)
only one replicate per concentration was used, and 2)
analytical verification of the test substance in the
exposure solutions was not performed.
Reference:
Shell Research Limited (1984) Olefins 103 PQ 11: Acute
toxicity to Salmo gairdneri, Daphnia magna and
Selenastrum capricornutum. Sittingbourne Research
Centre, SBGR.83.359 (unpublished report).
Test Substance
Identity:
SHOP Olefins 103 (C10-C13 linear internal olefins)
UNEP PUBLICATIONS
469
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4. ECOTOXICITY
Remarks:
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 3747%); CAS No. 25377-82-6 (C13 = 8-17%)
Method/Guideline: Not stated
Year (guideline): Not stated
Type (test type): Algal Toxicity Test
GLP:
Yes
Year (study performed): 1985
Species:
Freshwater Green Alga (Selenastrum capricornutum)
Analytical Monitoring: No
Exposure Period: 4 days
Statistical Method:
EC50 values determined by probit analysis
Test Conditions:
Control and dilution water was algal nutrient
medium prepared by dissolving Analar grade salts in
glass-distilled deionized water according to EPA
guidelines except that boric acid was present at 105
µg/L and sodium bicarbonate at 50 mg/L. Sixteen
Erlenmeyer flasks containing 50 ml of culture medium
were prepared. Quantities of stock solutions of the test
substance in Analar acetone were added to ten flasks to
give concentrations of 1.0, 2.2, 4.6, 10, 22, 46, 100,
220, 460, and 1000 mg/L. Six flasks served as controls
and received no test substance. Acetone concentration in
the control and treatment flasks was 0.1 ml/L. Each
flask was inoculated with algal cells to yield an
initial concentration of 500 cells/ml. Algal cells were
obtained from laboratory cultures that were originally
derived from a strain from American Type Culture
Collection (ATCC 22662). Flasks were incubated in a
cooled orbital (100 cycles/min) incubator under constant
illumination (~3000 lux) at 22.0-26.5 deg C (monitored
at 4h intervals). After 2 and 4 days incubation, cell
counts were made using a Coulter Counter. The pH in the
control and highest concentration ranged from 7.4 – 7.6
at test initiation and 7.1 – 7.4 at test termination.
The 96h EC50 (concentration causing a 50% reduction in
cell number at day 4 compared to mean control cell
number at day 4) was calculated using log transformed
concentration values.
Results:
Units/Value:
mg/L
Remarks:
470
96h EL50 based on cell numbers at day 4 was 22
The test substance was not wholly soluble at 220, 460,
and 1000 mg/L and was visible as floating droplets which
precluded cell counting. Concentrations were expressed
as the amount of test substance added.
The 96h EC50 based on cell numbers at day 4 was 22 mg/L
with 95% confidence limits of 19-24 mg/L).
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Nominal
Day 4 Cell Conc.
Conc. (mg/L) (cells/ml x 106)
number
Control
1.25(mean)
1.0
1.4
2.2
1.1
4.6
1.4
10
1.1
22
0.63
46
0.12
100
0.015
4.4
Day 4 cell number as %
Day 4 mean control cell
115
92
111
87
51
10
1
Reliability:
(3) Not Reliable. Test substance was not wholly soluble
at some of the concentrations tested despite the use of
a solvent carrier to prepare stock solutions. A more
appropriate and currently accepted method for preparing
test solutions for multi-component test substances with
low water solubility is the use of water accommodated
fractions. Other shortcomings of the study include: 1)
only one replicate per concentration was used, and 2)
analytical verification of the test substance in the
exposure solutions was not performed.
Reference:
Shell Research Limited (1985) SHOP Olefins 103: Acute
toxicity (Salmo gairdneri, Daphnia magna and Selenastrum
capricornutum) and n-octanol/water partition coefficent.
Sittingbourne Research Centre, SBGR.85.182 (unpublished
report).
Other:
This study was included in the dossier for 1-decene at
SIAM 11. Additional information has been added.
Toxicity to Micro-organisms, e.g. Bacteria
Test Substance
Identity:
CAS No. 85535-87-1, Alkenes C10-13, linear internal olefins
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No. 28761-27-5 (C11 =
27-45%); CAS No. 25378-22-7 (C12 = 37-47%); CAS No. 25377-82-6 (C13 =
8-17%)
Method
Method
GLP:
Species:
Exposure
Period:
Analytical
Monitoring:
:
Inhibition of growth
No data
Pseudomonas fluorescens
No data
Results:
Maximum inhibition was 19% at 1000 mg/L
No data
UNEP PUBLICATIONS
471
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4. ECOTOXICITY
Reliability:
Reference:
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
(4) Not assignable
Turner, S.J., Watkinson, R.J., (1985) Shop Olefins 103: An
assessment of Ready Biodegradability, Sittingbourne, Shell Research
Limited, SBGR.85.106 (unpublished report).
Other:
11.
This study was included in the dossier for 1-decene at SIAM
4.5
Chronic Toxicity to Aquatic Organisms
A.
Chronic Toxicity to Fish
(1)
Test Substance:
CAS No. 25339-53-1, Decene
Method/Guideline:
Type (test type): 30-day Chronic Toxicity Value (ChV) calculated
using the computer program ECOSAR, version 0.99g
included in the EPI Suite software, v 3.11
(EPIWIN, 2000b)
Species:
Fish
Test Conditions:
The program uses structure-activity relationships
(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
for input into EPIWIN. The program used a Kow
value of 5.12, which was estimated by EPIWIN using
the structure for 1-decene.
Results:
(2)
Units/Value:
Estimated 30-day ChV = 26 µg/L
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is
calculated data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
Test Substance:
CAS No. 28761-27-5, Undecene (mixture of isomers)
Method/Guideline:
472
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Type (test type): 30-day Chronic Toxicity Value (ChV) calculated
using the computer program ECOSAR, version 0.99g
included in the EPI Suite software, v 3.11
(EPIWIN, 2000b)
Species:
Fish
Test Conditions:
The program uses structure-activity relationships
(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
for input into EPIWIN. The program useda Kow
value of 5.53 for undecene estimated by EPIWIN
using the structure for 5-undecene.
Results:
(3)
Units/Value:
Estimated 30-day ChV for undecene = 13 µg/L
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is
calculated data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
Test Substance:
CAS No. 25378-22-7, Dodecene
Method/Guideline:
Type (test type): 30-day Chronic Toxicity Value (ChV) calculated
using the computer program ECOSAR, version 0.99g
included in the EPI Suite software, v 3.11
(EPIWIN, 2000b)
Species:
Fish
Test Conditions:
The program uses structure-activity relationships
(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
UNEP PUBLICATIONS
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ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
for input into EPIWIN. The program used a Kow
value of 6.10, which was estimated by EPIWIN using
the structure for 1-dodecene.
Results:
(4)
Units/Value:
Estimated 30-day ChV = 4 µg/L
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is
calculated data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
Test Substance:
CAS No. 25377-82-6, Tridecene
Method/Guideline:
Type (test type): 30-day Chronic Toxicity Value (ChV) calculated
using the computer program ECOSAR, version 0.99g
included in the EPI Suite software, v 3.11
(EPIWIN, 2000b)
Species:
Fish
Test Conditions:
The program uses structure-activity relationships
(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
for input into EPIWIN. The program used a Kow
value of 6.59, which was estimated by EPIWIN using
the structure for 1-tridecene.
Results:
474
Units/Value:
Estimated 30-day ChV = 2 µg/L
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is
calculated data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
B.
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Chronic Toxicity to Aquatic Invertebrates
(1)
Test Substance:
CAS No. 872-05-9, 1-Decene
Method/Guideline: OECD Guideline 211
Year (guideline):
1998
Type (test type):
Daphnid Chronic Toxicity Test
GLP (Y/N):
Yes
Year (study performed): 2004
Species:
Daphnia magna Straus
Analytical Monitoring: Yes
Exposure Period:
21 days
Statistical Method:
The EC10 and EC50 values were calculated
using the Power Model of the Benchmark Dose (BMD)
method (USEPA, 2001). The LOEC and NOEC was
determined using the Wilcoxon Rank Sum (Hollander
and Wolfe, 1999) with Bonferroni Adjustment
(Bland, 1995) using TOXSTAT software (Gulley,
1994). TOXSTAT was also used to perform a t-test
with Bonferroni Adjustment (Bland, 1995) to
analyze the growth data.
United States Environmental Protection Agency
(USEPA), Benchmark Dose software, V1.3.1. 2001.
Hollander, M. and Wolfe, D.A., Nonparametric
Statistical Methods 2nd Ed, John Wiley and Sons,
New York, 1999.
Gulley, DD and WEST, Inc. TOXSTAT, V.3.4. Western
Ecosystems Technology, Inc. Cheyenne, WY, 1994.
Bland, MJ., “Multiple significance tests: the
Bonferroni method”, British Medical Journal, v310,
pg. 170, 1995.
Test Conditions:
1-Decene in a closed system was aerated using an
air stone at an air flow rate of 160 to 180 cc/min.
The vapor generated from the aeration procedure
flowed into an aspirator bottle and bubbled through
vehicle/dilution medium (reconstituted water). The
1-decene saturated vapor passed through an air
stone near the bottom of the aspirator bottle
providing maximum contact between the test
substance in the vapor phase and vehicle/dilution
medium. This procedure was followed to develop a
stock solution, which was diluted to achieve a
range of exposure solutions.
The test chambers were 125 mL capacity clear glass
bottles with foil lined screw tops (no headspace).
One daphnid was added to each of 10 replicates.
The Daphnia were cultured in-house, were <24 hours
old, and were from 16-day old parents. The test
was performed using a static daily renewal of
exposure solutions. Observations for abnormal or
immobilized daphnids and neonates were made on each
replicate at approximately 24-hour intervals.
Test organisms were fed daily when solutions were
renewed by adding 0.4 mL of a 1.3E8 cells/mL
UNEP PUBLICATIONS
475
OECD SIDS
4. ECOTOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
suspension of Pseudokirchneriella subcapitata to
provide approximately 4.2E5 cells/mL. Test
organisms were also fed during renewals with 0.05
mL of a 2.5 g/L Microfeast PZ-20 suspension. The
feeding rate supplied approximately 0.1 mgC/adult
daphnid/day.
Mean test temperature was 20.6°C (S.D. = 0.2) and
diurnal light was approximately 16 hours light and
8 hours dark with 16 to 19 µE•m-2•s-1 during full
daylight periods. Dissolved oxygen ranged from 7.8
to 9.4 mg/L and pH ranged from 8.0 to 8.4 during
the study. Water hardness was 150 mg/L as CaCO3.
The TOC of the dilution water was 0.5127 ppm.
The analytical method used was static headspace
GC-FID (HS GC-FID). The methods practical
quantitation limit (PQL) is approximately 0.12
ng/mL (µg/L) and corresponds to the concentration
of the lowest analyzed analytical standard.
Results:
Units/Value:
on reproduction:
Effect Concentration (EC10 and EC50) based
EC10
21 day
20.0 µg/L (16.2 µg/L*)
(27.2 µg/L*)
* 95% Lower Confidence Interval
EC50
28.1 µg/L
The LOEC was 28.7 µg/L, the highest concentration
tested. The NOEC was 19.4 µg/L. The LOEC and NOEC
are based on reproduction and growth.
The NOEC
based on mortality was 28.7 µg/L, the highest
concentration tested.
The control daphnids released their first brood on
days 8 and 10. The coefficient of variation for
control fecundity was 8.7%.
The following are the endpoint results for the
control and exposure solutions.
Nominal Measured
Adult
Neonates
Adult
Conc. Conc.**
Mortality
per Adult
Avg.
Length
(µg/L) (µg/L)
%
(mm)
Control 0
0
153
5.8
10
5.91
10
151
5.6
16
8.74
10
155
5.8
25
12.8
10
138
5.6
40
19.4
0
140
5.6
60
28.7
10
68
5.2
** Average of new and old solutions (3 replicates
each) sampled on day 0 & 1, 7 & 8; 14 & 15, 20 &
21. The sample size for each concentration was n
= 24, except for the 5.91 µg/L concentration, the
sample size was n = 23. One sample was not used.
It was noted that the stock container outlet was
not purged, resulting in a spurious value. The
table below shows the new and old range of
concentrations.
476
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Nominal Measured Conc.
Measured Conc.
Conc. new solutions
old solutions
(µg/L)
(µg/L)
(µg/L)
Control
0
0
10
8.15 - 18.4
0.06†
16
13.6 - 24.0
0.06† - 0.126
25
21.3 - 30.2
0.06† - 0.160
40
30.6 - 48.2
0.06† - 0.211
60
44.5 - 68.0
0.06† - 0.477
† 1-decene not detected above Practical
Quantitation Limit (PQL= 0.12 µg/L). PQL X 0.5
(0.06 µg/L) used in place of < PQL.
The maximum water solubility of 1-decene under the
conditions used to generate the stock solution for
this study was approximately 210 µg/L.
Conclusion:
The 1-decene Daphnia magna 21 day EC10 was 20.0
µg/L and the EC50 was 28.1 µg/L. Reproduction and
growth were more sensitive than survival, resulting
in an NOEC of 19.4 µg/L and an LOEC of 28.7 µg/L.
Flag:
Key study for SIDS endpoint
Reliability:
Reference:
Other (source):
Council
(2)
Test Substance:
(1) Reliable without restriction.
ExxonMobil Biomedical Sciences, Inc. (2004).
Daphnia magna Reproduction Test with 1-DECENE.
Study # 180446. Performed at ExxonMobil Biomedical
Sciences, Inc. Annandale, NJ.
Higher Olefins Panel, American Chemistry
CAS No. 25339-53-1, Decene
Method/Guideline:
Type (test type): 16-day EC50 value calculated using the computer
program ECOSAR, version 0.99g included in the EPI
Suite software, v 3.11 (EPIWIN, 2000b)
Species:
Daphnia magna
Test Conditions:
The program uses structure-activity relationships
(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
UNEP PUBLICATIONS
477
OECD SIDS
4. ECOTOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
weight of the compound. The CAS number was used
for input into EPIWIN. The program used a Kow
value of 5.12, which was estimated by EPIWIN using
the structure for 1-decene.
Results:
(3)
Units/Value:
Estimated 16-day EC50 = 32 µg/L
Reliability:
(2) Reliable with restrictions. The result is
calculated data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
Test Substance:
CAS No. 28761-27-5, Undecene (mixture of isomers)
Method/Guideline:
Type (test type): 16-day EC50 value calculated using the computer
program ECOSAR, version 0.99g included in the EPI
Suite software, v 3.11 (EPIWIN, 2000b)
Species:
Daphnia magna
Test Conditions:
The program uses structure-activity relationships
(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
for input into EPIWIN. The program used a Kow
value of 5.53 for undecene estimated by EPIWIN
using the structure for 5-undecene.
Results:
(4)
478
Units/Value:
Estimated 16-day EC50 for undecene = 18 µg/L
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is
calculated data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
Test Substance:
CAS No. 25378-22-7, Dodecene
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Method/Guideline:
Type (test type): 16-day EC50 value calculated using the computer
program ECOSAR, version 0.99g included in the EPI
Suite software, v 3.11 (EPIWIN, 2000b)
Species:
Daphnia magna
Test Conditions:
The program uses structure-activity relationships
(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
for input into EPIWIN. The program used a Kow
value of 6.10, which was estimated by EPIWIN using
the structure for 1-dodecene.
Results:
(5)
Units/Value:
Estimated 16-day EC50 = 8 µg/L
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is
calculated data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
Test Substance:
CAS No. 25377-82-6, Tridecene
Method/Guideline:
Type (test type): 16-day EC50 value calculated using the computer
program ECOSAR, version 0.99g included in the EPI
Suite software, v 3.11 (EPIWIN, 2000b)
Species:
Daphnia magna
Test Conditions:
The program uses structure-activity relationships
(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
UNEP PUBLICATIONS
479
OECD SIDS
4. ECOTOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
for input into EPIWIN. The program used a Kow
value of 6.59, which was estimated by EPIWIN using
the structure for 1-tridecene.
Results:
Units/Value:
Estimated 16-day EC50 = 4 µg/L
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is
calculated data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
4.6
Toxicity to Terrestrial Organisms
A.
Toxicity to Terrestrial Plants.
(1)
Test Substance:
CAS No. 25339-53-1, Decene
Method/Guideline:
Type (test type): 96-hr Chronic Toxicity Value (ChV) calculated
using the computer program ECOSAR, version 0.99g
included in the EPI Suite software, v 3.11
(EPIWIN, 2000b)
Species:
Green algae
Test Conditions:
The program uses structure-activity relationships
(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
for input into EPIWIN. The program used a Kow
value of 5.12, which was estimated by EPIWIN
using the structure for 1-decene.
Results:
480
ChV = 73 µg/L
Units/Value:
Estimated 96-hr
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is
calculated data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
(2)
Test Substance:
CAS No. 28761-27-5, Undecene (mixture of isomers)
Method/Guideline:
Type (test type): 96-hr Chronic Toxicity Value (ChV) calculated
using the computer program ECOSAR, version 0.99g
included in the EPI Suite software, v 3.11
(EPIWIN, 2000b)
Species:
Green algae
Test Conditions:
The program uses structure-activity relationships
(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
for input into EPIWIN. The program used a Kow
value of 5.53 for undecene estimated by EPIWIN
using the structure for 5-undecene.
Results:
(3)
ChV for undecene = 44 µg/L
Units/Value:
Estimated 96-hr
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is
calculated data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
Test Substance:
CAS No. 25378-22-7, Dodecene
Method/Guideline:
Type (test type): 96-hr Chronic Toxicity Value (ChV) calculated
using the computer program ECOSAR, version 0.99g
included in the EPI Suite software, v 3.11
(EPIWIN, 2000b)
Species:
Green algae
Test Conditions:
The program uses structure-activity relationships
(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
UNEP PUBLICATIONS
481
OECD SIDS
4. ECOTOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
for input into EPIWIN. The program used a Kow
value of 6.10, which was estimated by EPIWIN using
the structure for 1-dodecene.
Results:
(4)
ChV = 21 µg/L
Units/Value:
Estimated 96-hr
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is
calculated data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
Test Substance:
CAS No. 25377-82-6, Tridecene
Method/Guideline:
Type (test type): 96-hr Chronic Toxicity Value (ChV) calculated
using the computer program ECOSAR, version 0.99g
included in the EPI Suite software, v 3.11
(EPIWIN, 2000b)
Species:
Green algae
Test Conditions:
The program uses structure-activity relationships
(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
for input into EPIWIN. The program used a Kow
value of 6.59, which was estimated by EPIWIN using
the structure for 1-tridecene.
Results:
482
ChV = 11 µg/L
Units/Value:
Estimated 96-hr
Flag:
Key study for SIDS endpoint
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
B.
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Reliability:
(2) Reliable with restrictions. The result is
calculated data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
Toxicity to Soil Dwelling Organisms.
No data available
C.
Toxicity to Other Non Mammalian Terrestrial Species (including Avian)
No data available
4.7
Biological Effects Monitoring (including Biomagnification)
No data available
4.8
Biotransformation and Kinetics
No data available
UNEP PUBLICATIONS
483
OECD SIDS
5. TOXICITY
5.1
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Toxicokinetics, Metabolism and Distribution
Test Substance:
CAS No. 111-66-0, 1-Octene, >99%; CAS No. 124-11-8, 1-Nonene,
>99%; CAS No. 872-05-9, 1-Decene, >98% (tested individually)
Method
Test Type
GLP
Year
Non-standard
in-vivo
No data
No data
Method:
Animals were exposed via inhalation to individual hydrocarbons
in 6 separate experiments with equal design except for the
choice of test substance. Animals were killed by decapitation,
and blood and organ samples were obtained within 3 minutes
after removal of an animal from the chamber. Food and water
were available ad libitum except during exposure. Dynamic
exposure of the animals was performed in 0.7 m3 steel
chambers. Temperature and humidity were kept within 23±1°C and
70±20% RH, respectively. The aimed concentration of 100 ppm
was maintained by mixing a controlled stream of air saturated
with the test substance under a constant temperature and flow
with the main stream of dust filtered air (5 m3/hr) before
entering at the top of the chamber. The concentration of
hydrocarbons in the chambers was monitored by on-line gas
chromatography at 15 minute intervals. The concentration of
hydrocarbons in tissues was determined by headspace gas
chromatography. Two ml of blood or organ homogenate (or 0.25 g
perirenal fat tissue) was equilibrated in 15 ml headspace
vials for 1 hr at 37 or 60 °C together with calibration
samples and blanks. 0.5 ml was taken from the headspace by
prewarmed gas tight syringe and injected into a Shimadzu GC 9A
gas chromatograph (FID). Separation was performed on a 2 m x
1/8” stainless steel column packed with GP 10% SP-2100 on
Supelcoport 100/120 mesh with nitrogen as carrier gas. In
blood, the calibration curves covered a range from 0.5 – 100
µmol/kg, in organs from 1 – 500 µmol/kg and in fat from 5 –
10000 µmol/kg. In blood and organs, the detection limits
generally were within the range from 0.1 to 1 µmol/kg; in fat
from 1 to 10 µmol/kg.
Test Conditions:
Species:
Rat
Strain:
Sprague-Dawley
Sex:
Male
Age:
No data
Bodyweight:
150 – 200 g at start of each experiment
Number of Animals:
4 per exposure
Route:
Inhalation
Dose(s) used:
100 ppm for 3 days, 12 hr/day
Statistical Methods:
484
None reported
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Actual Dose(s):
For the 3 days exposure period, the mean chamber concentration
was 99.3 ppm
Body Fluids Sampled:
Blood sampled at days 1, 2, and 3, immediately after
exposure and 12 hr after exposure on day 3
Tissues Sampled:
Brain, liver, kidney, fat; sampled at days 1, 2, and 3,
immediately after exposure and 12 hr after exposure on day 3
Results:
No systematic increase or decrease in biological
concentrations was observed during the exposure period except
for fat. With the exception for the kidney, the concentration
increased with increasing number of carbon atoms within each
structure group. The organ concentrations generally exceeded
blood by factors ranging from 3 to 10.The C9 and C10 1-alkenes
showed an increased accumulation in fat during the 3 days
exposure period, in contrast to the C8 1-alkene, where a
saturation seemed to occur. In fat, the concentrations of all
hydrocarbons were 4-20 times the concentrations found in other
organs. The 1-alkenes demonstrated high concentrations in fat
12 hr after exposure. After the recovery period, these
concentrations were 31, 46, and 66% for C8, C9 and C10 1alkenes, respectively, of the concentrations on day 3.
Concentrations of individual 1-alkenes after the third daily
12 hr exposure to 100 ppm and after 12 hr recovery (n=4)
1-Octene
After 12
hr
recovery
After
third
exposure
After 12
hr
recovery
After
third
exposure
After 12
hr
recovery
Blood
12.4
0.1
15.9
0.4
16.4
0.7
Brain
69.7
0.5
116.3
2.7
138.1
6.3
Liver
78.9
nd
130.4
1.1
192.8
4.0
Kidney
139.3
0.9
146.7
4.6
162.0
9.3
Fat
720
226
2068
953
2986
1971
All concentrations are in µmol/kg; nd = not detectable (limit of
detection varied between substances and organs: in blood and
organs generally within range from 0.1 – 1 µmol/kg; in fat from
5 – 10 µmol/kg)
Reliability:
(1) Reliable without restrictions.
Zahlsen, K., I. Eide, A.M. Nilsen and O.G. Nilsen (1993)
Inhalation kinetics of C8-C10 1-alkenes and iso-alkanes in
the rat after repeated exposures. Pharmacology & Toxicology
73:163-168.
5.2
Acute Toxicity
A.
Acute oral toxicity
(1)
1-Decene
After
third
exposure
a
Reference:
1-Nonene
Test Substance:
C10-13 Internal Olefins
linear
UNEP PUBLICATIONS
(Shop Olefins 103 PQ11),
485
OECD SIDS
5. TOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 =
37-47%); CAS No. 25377-82-6 (C13 = 8-17%)
Method
Method/guideline: NA
Type (test type): LD50
GLP:
Pre-GLP
Year:
1977
Species/Strain:
Rat/Wistar
Sex:
Males and females
No. of animals per
sex per dose:
4
Vehicle:
none
Route of
administration:
Oral gavage
Test Conditions:
Male and female rats, aged approximately 12 weeks,
were used at each dose level (5 and 10 ml/kg).
The animals were weighed, fasted overnight and the
calculated dose of material administered by
intraesophagael intubation using a ball point
needle fitted to a syringe. After dosing food and
water were freely available throughout a 9 day
observation period.
Results:
Value:
Number of deaths
at each dose level:
(2)
LD50 > 7740 mg/kg
1 at 10 ml/kg
Remarks:
Animals showed no signs of toxic reaction during
the 9 day observation period. One female rat died
following a period of not eating and drinking and
loss of body weight. Under the conditions of this
study, C10-13 Alpha Olefins have a low order of
toxicity.
Reliability:
(1) Reliable without restrictions.
Flag:
Key study for SIDS endpoint
References:
Shell Toxicology Laboratory, Tunstall (1977)
Toxicology of alpha olefins: Acute toxicity, skin
and eye irritancy and skin sensitizing potential
of alpha olefin 103 PQ 11 (unpublished report).
Other:
This study was included in the dossiers for 1decene and 1-dodecene at SIAM 11. Additional
information has been added.
Test Substance
Identity (purity):
CAS No. 25377-82-6, Tridecene (100%),
NEODENE® 13 Internal Olefin
Method
486
UNEP PUBLICATIONS
OECD SIDS
5. TOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Method/guideline: TSCA Health Effects Test Guidelines, 40 CFR
798.1175, meeting OECD Guidelines, Section 401
Type (test type): LD50
GLP:
Yes
Year:
1995
Species/Strain:
Albino Rat / Crl:CD®BR
Sex:
Males and females
No. of animals per
sex per dose:
5
Vehicle:
NA
Route of
administration:
Oral gastric intubation
Test Conditions:
Single treatment dose level of 5000 mg/kg. Based
on specific gravity of 0.75 g/ml, the dose volume
was 6.67 ml/kg. Weight of young adult animals
ranged from 248 to 295 grams at initiation of
dosing.
Prior to dosage, food was withheld from the
animals for approximately 18-20 hours. Four hours
following exposure, food and water were made
available.
The animals were observed for gross
effects and mortality at 1, 3, and 4 hours on
study day 0 and once daily thereafter for 14 days.
Body weights were obtained on study days –1, 0, 7,
and 14.
Upon termination, all rats were
euthanized by carbon dioxide asphyxiation.
The
major organ systems of the cranial, thoracic and
abdominal cavities were examined for all animals.
Results:
Value:
Number of deaths
at each dose level:
Remarks:
LD50 > 5000 mg/kg
None
All animals survived to the scheduled necropsy.
All rats had yellow urogenital and/or ventral
abdominal staining on days 0 and/or 1. Various
hair loss on the urogenital, ventral abdominal
and/or hindlimb (right and/or left) areas was
noted for six animals. Three rats had dried red
material around the nose. There were no other
clinical findings. With the exception of hair
loss noted on the hindlimb(s), urogenital and/or
ventral abdominal areas from days 5 to 14, all
animals appeared normal by day 2. There were no
remarkable changes or differences observed in body
weights. At study termination (day 14), the
coagulating gland was absent in one male. This
absence was considered a congenital abnormality.
Various hair loss on the hindlimb(s) and/or
ventral abdominal areas was observed on four rats
at the scheduled necropsy. There were no other
gross necropsy findings for all examined tissues.
UNEP PUBLICATIONS
487
OECD SIDS
5. TOXICITY
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
Under the conditions of this study, tridecene has
a low order of toxicity.
B.
Reliability:
(1) Reliable without restrictions, comparable to
guideline study
Flag:
Key study for SIDS endpoint
References:
WIL Research Laboratories, Inc. (1995) Acute Oral
Toxicity Study of NEODENE®13 Internal Olefin in
Albino Rats; Performed for Shell Chemical Co.
(unpublished report).
Acute inhalation toxicity
Test Substance:
C10-13 Internal Olefins
(Shop Olefins 103), linear
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 3747%); CAS No. 25377-82-6 (C13 = 8-17%)
Method
Method/guideline: 4-hr exposures in a dynamic exposure system.
Type (test type): LC50
GLP:
No
Year:
1980
Species/Strain:
Rat/Wistar
Sex:
Males and females
No. of animals per
sex per dose:
5
Vehicle:
Route of
administration:
None
Test Conditions:
One group of 10 rats each (5 males and 5 females,
approximately 10 weeks of age) was exposed for 4 hrs to a
saturated concentration of test substance (> 2.1 mg/L,
~305 ppm). Animals were observed for 14 days postexposure. Initial, 7 day and 14 day body weights were
recorded.
Inhalation (mist )
The animals were contained within 7 liter glass chambers
fitted with carriers to accommodate five animals each,
through which the test atmosphere was passed at a
minimal rate of 10 liters/minute.
The test atmosphere was generated by flash vaporization
of the test substance supplied to a heated flask by
means of a micro metering pump. The vapor was blended
with dilution air in a mixing flask, and the vapor/air
mixture was passed through an air cooled condenser and a
condensation trap to the inhalation chambers. Continuous
analysis of the atmosphere during exposure was
undertaken exposure using a heated total hydrocarbon
analyzer.
Results:
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Value:
concentration) mist.
Number of deaths
at each dose level:
None
C.
LC50 >2.1 mg/L (~305 ppm) (saturated
Remarks:
Some rats lachrymated and salivated during exposure, but
no other toxic signs were observed during the 14 day
observation period.
Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
Blair, D., Sedgewick, A.E. (1980) The acute inhalation
toxicity of Olefins 103 PQ 11. Sittingbourne, Shell
Research Limited, TLGR.80.052 (unpublished report).
Other:
This study was included in the dossier for 1-decene at
SIAM 11. Additional information has been added.
Acute dermal toxicity
(1)
Test Substance:
C10-13 Internal Olefins
linear
(Shop Olefins 103 PQ 11),
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 =
37-47%); CAS No. 25377-82-6 (C13 = 8-17%)
Method
Method/guideline:
Type (test type):
GLP:
Year:
Species/Strain:
Sex:
No. of animals
per sex per dose:
Noakes and Sanderson
LD50
Pre-GLP
1977
Rat/ Wistar
Males and females
Vehicle:
Route of
administration:
NA
Test Conditions:
4
Dermal
Groups of animals, aged 12-13 weeks, were exposed
to the test substance in single exposures to
concentrations of 1, 2, and 4 ml/kg. Undiluted
test material was applied to shorn dorso-lumbar
skin and bandaged into contact with the skin using
an impermeable dressing of aluminum foil and water
proof plaster. Following the 24-hour exposure
period, the dressings were removed and the
exposed area was sponged with tepid dilute
detergent solution to remove residue. Animals
were observed for gross signs of s toxicity daily
for 9 days.
Results:
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Value:
LD50 > 3080 mg/kg
Number of deaths
at each dose level:
4 mortalities occurred in the female rats at
dose level 4 ml/kg; one each at day 6 and day 8, 2
at day 7.
(2)
Remarks:
Rats showed no signs of toxic reactions, but those
that eventually died did not eat or drink and lost
body weight. On the basis of these figures, the
acute percutaneous LD50 was estimated to be
greater than 4 ml/kg (3080 mg/kg) in males and
between 2 and 4 ml/kg (between 1540 and 3080
mg/kg) in females.
Reliability:
(1) Reliable without
Flag:
Key study for SIDS endpoint
References:
Shell Toxicology Laboratory, Tunstall (1977)
Toxicology of alpha olefins: Acute toxicity, skin
and eye irritancy and skin sensitizing potential
of alpha olefin 103 PQ 11 (unpublished report).
restrictions
Test Substance
Identity (purity):
CAS No. 25377-82-6, Tridecene (100%),
NEODENE®13 Internal Olefin
Method
Method/guideline: TSCA Health Effects Test Guidelines, 40 CFR
798.1111, meeting OECD Guidelines, Section 402
Type (test type): LD50 and No Observable Effect Level (NOEL)
GLP:
Yes
Year:
1995
Species/Strain:
Albino Rat / Crl:CD®BR
Sex:
Males and females
No. of animals per
sex per dose:
5
Vehicle:
NA
Route of
administration:
Dermal
Test Conditions:
490
One group of young adult male and female albino
rats was dermally administered single doses of
test substance at a dose level of 2000 mg/kg.
Based on a measured specific gravity of 0.75 g/ml,
the dose volume was 2.67 ml/kg. Individual body
weights were obtained just prior to dosing and on
study days 0, 7 and 14 post-dosing. Weights
ranged from 239 to 275 grams at initiation of
dosing. Undiluted test material was applied to
clipped, intact dorsal skin and covered
approximately 20% of the total body surface. The
test substance was held in contact with the skin
under semi-occlusive dressing consisting of gauze
bandaging that was secured with non-irritating
tape. Collars were applied and remained on the
rats for the duration of the exposure (24 hrs) to
prevent ingestion of the test substance. Upon
completion of the exposure period, the collars and
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bandages were removed and the application sites
were wiped with disposable paper towels moistened
with tepid water.
Animals were observed for mortality and systemic
toxicity at approximately 1.0, 3.0, and 4.0 hours
post-dose on study day 0 and twice daily (morning
and afternoon) thereafter for14 days. The
application sites were examined for erythema,
edema and other dermal findings beginning
approximately 30-60 minutes after bandage removal
and daily thereafter for 13 days. The rats were
clipped to facilitate dermal observations on study
days 7 and 14.
At termination, the rats were euthanized by carbon
dioxide asphyxiation. The major organ systems of
the cranial, thoracic and abdominal cavaties were
examined for all animals.
Results:
Value:
Number of deaths
at each dose level:
Remarks:
LD50 > 2000 mg/kg
There were no deaths during the study.
Nine animals had dried red material around the
eye(s) and/or mouth and or/nose on the day of
dosing. Urogenital staining (described as wet or
dried yellow) was present for seven animals. Two
rats had soft stool. These findings were
considered unrelated to the test material, as they
are often noted for rats that have been
bandaged/collared. There were no other clinical
findings. All animals appeared normal by day 2
and throughout the remainder of the observation
period.
The test material induced very slight to slight
erythema and edema along with desquamation on all
rats. There were no other dermal findings. All
erythema and edema completely subsided by days 11
and 7, respectively. Desquamation persisted
through study termination (day 14) on two sites.
There were no remarkable changes or differences in
body weights. One male had a dilated renal pelvis
(right) at the scheduled necropsy. There were no
other gross necropsy findings for all examined
tissues.
The LD50 and the NOEL for systemic toxicity of
tridecene were found to be greater than 2000
mg/kg.
Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
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Reference:
D.
WIL Research Laboratories, Inc. (1995) Acute
Dermal Toxicity Study of NEODENE®13 Internal
Olefin in Albino Rats; Performed for Shell
Chemical Co. (unpublished report).
Acute toxicity, other routes
No data available
5.3
Corrosiveness/Irritation
A.
Skin Irritation/Corrosion
(1)
Test Substance:
CAS No. 872-05-9, 1-Decene, 100%, NEODENE® 10
Alpha Olefin
Method:
TSCA Health Effects Test Guidelines, 40 CFR
798.4470, meeting OECD Guidelines, Section 404
Test Type:
GLP:
Year:
in vivo
Yes
1995
Test Conditions
Species:
Rabbits
Strain:
New Zealand White
Cell type:
Sex:
Male and female
Number of animals
per sex per dose: 3
Total dose:
0.5 ml
Vehicle:
None
Exposure time period:
4 hrs
Grading scale:
Draize
492
Method Remarks:
A 0.5 ml quantity of undiluted test material was
applied onto a 1 inch by 1 inch gauze square. The
test material was applied in this manner to the
shaved dorsal skin at one intact site on each of
six rabbits and occluded with rubber dental dam
throughout the 4 hour exposure period. Severe
irritation persisted 72 hours following
application. All six animals were held for a Day
7 reading. The values for each rabbit were
totaled and averaged for erythema and eschar
formation at ½ to 1 hour, 24 hours, 48 hours, and
72 hours. The values for edema were evaluated at ½
to 1 hour, 24, 48, and 72 hours.
Results:
There were no deaths during the study. By day 7
reading, all irritation had cleared in two animals,
while the remaining four animals exhibited slight
to severe irritation. The only change noted in the
coloration and/or texture of the skin was
desquamation. No evidence of corrosion (necrosis)
was found. The Draize Primary Dermal Irritation
Index (the mean of combined scores for erythema and
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edema at 1 hour, 24 hour, 48 hour and 72 hour) was
calculated to be 5.3.
(2)
Reliability:
(1) Reliable without restrictions
Reference:
Hilltop Biolabs, Inc. (1992) Primary Skin
Irritation Study in Rabbits; Performed for Shell
Oil Company (unpublished report).
Test Substance:
CAS No. 25377-82-6, Tridecene, 100%, NEODENE 13
Internal Olefin
Method:
TSCA Health Effects Test Guidelines, 40 CFR
798.4470, meeting OECD Guidelines, Section 404
Test Type:
GLP:
Year:
in vivo
Yes
1995
Test Conditions
Species:
Rabbits
Strain:
New Zealand White
Cell type:
Sex:
Male and female
Number of animals
per sex per dose: 3
Total dose:
0.5 ml
Vehicle:
None
Exposure time period:
4 hrs
Grading scale:
Draize
Method Remarks:
At the start of the study, the young adult animals
weighed 3.35 to 3.99 kg. One-half ml undiluted
material was applied to the clipped, unabraded
skin on the backs of 6 rabbits, under occlusive
dressing. Each 0.5 milliliter dose was applied to
an area of skin approximately 1 inch by 1 inch
under a secured 2-ply gauze patch that was
overwrapped with a gauze binder, occluded with
plastic wrap and secured with Dermiform® tape.
Plastic restraint collars were applied and remained
on the animals for the duration of the exposure
period. Four hours after application, the collars
and bandages were removed and the sites wiped with
disposable paper towels moistened with deionized
water. The application sites were observed for
erythema, edema and other dermal findings
approximately 30-60 minutes and 24, 48, and 72
hours after patch removal and daily thereafter
through day 21 if irritation persisted. In order
to facilitate dermal observations, the application
sites were clipped free of hair approximately one
hour prior to collecting the 72 hour, day 10 and
day 21 dermal scores.
Results:
There were no deaths and no remarkable body weight
changes during the study. The test material induced
slight to moderate erythema and edema along with
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desquamation on all animals. All edema completely
subsided by day 19 or earlier. There were no other
dermal findings. Very slight to moderate erythema
and desquamation persisted through day 21
(termination) for five and four of the six rabbits,
respectively.
The Draize Primary Dermal Irritation Index (the
mean of combined scores for erythema and edema at 1
hour, 24 hour, 48 hour and 72 hour) was calculated
to be 3.5.
B.
Reliability:
(1) Reliable without restrictions
Reference:
WIL Research Laboratories, Inc. (1995) Primary
Dermal Irritation Study of NEODENE®13 Internal
Olefin in Albino Rabbits; Performed for Shell
Chemical Co. (unpublished report).
Eye Irritation/Corrosion
Test Substance:
C10-13 Internal Olefins
linear
(Shop Olefins 103 PQ 11),
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 3747%); CAS No. 25377-82-6 (C13 = 8-17%)
pH:
Not applicable
Method:
Test Type:
GLP:
Year:
in vivo
No
1977
Test Conditions
Species:
Albino rabbits
Strain:
New Zealand White
Number of animals
per dose:
4
Dose(s) used:
Vehicle:
None
Observation period:
494
0.2 ml
7 days
Remarks:
The conjuctival redness chemosis and discharge, corneal
opacity and damage to the iris following the instillation
of 0.2 ml undiluted olefin into the conjuctival sac of
four rabbit eyes was scored using standard Draize scales.
Results:
Animals were observed within 1-2 hours, after 1, 2, 3,
and 7 days of application. Mean Draize score was 1.0
(out of 110) at 1 hour after exposure, 0.9 for day 1,
0.1 for day 2, and 0 at other points.
Reliability:
(1) Reliable without restrictions
Reference:
Cassidy, S.L., Clark, D.G. (1977) Toxicology of alpha
olefins: Acute toxicity, skin and eye irritancy and
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skin sensitizing potential of alpha olefin 103 PQ 11.
Sittingbourne, Shell Research Limited, TLGR.0.171.77
(unpublished report).
5.4
Skin Sensitisation
Test Substance:
C10-13 Alpha Olefins
Remarks:
Blend of CAS No. 872-05-9 (C10 = 11.2%); CAS No. 821-95-4 (C11
= 30%); CAS No. 112-41-4 (C12 = 26%); CAS No. 2437-56-1 (C13 =
23.6%); (C14 = 9.5%)
Method:
Test Type:
GLP:
Year:
Magnusson and Kligman
challenge
No
1977
Test Conditions
Species:
Guinea pig
Strain:
P strain
Sex:
Male and female
Number of animals
per sex per dose: 10 in test group; 5 each in control group
Route of
administration:
Injection and Topical
Intradermal
Induction conc.:
Induction vehicle:
Topical
Induction conc.:
Induction vehicle:
Challenge conc.: 10%
Challenge vehicle:
Method remarks:
0.05%
corn oil
1.5%
corn oil
corn oil
A preliminary screen was carried out using groups of 2 male
and 2 female guinea pigs to determine the concentrations of
test material to be used for intradermal induction, topical
induction and topical challenge.
Induction was accomplished in 2 stages, intradermal injection
and a topical application. Two rows of 3 injections were
made: 2 of 0.1 ml Freund’s complete adjuvant (FCA), 2 of 0.1
ml test material in solvent (solvent), and 2 of 0.1 ml test
material in 50:50 FCA/solvent. The injection sites were just
within the boundary of a 4x4 cm shaved area.
One week after the intradermal injections the same area was
clipped. A 4x4 cm patch of Whatman No. 3 filter paper was
soaked in a solution of the test material, placed over the
injection sites of the experimental animals and covered by
overlapping plastic adhesive tape (Blendaderm). This was
secured with elastic adhesive bandage (Poroplast). The
dressing was left in place for 48 hours.
The challenge procedure was carried out 2 weeks after topical
induction. Challenge was accomplished by topical application
of the challenge solution of the test material to the flank of
both test and control groups of animals.
3x3 cm area on the
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flank was clipped and shaved. A 2.5x2.5 cm patch of Whatman
No. 3 filter paper was soaked in a solution of the test
material, placed over the injection sites of the experimental
animals and covered by overlapping plastic adhesive tape
(Blendaderm). This was secured with elastic adhesive bandage
(Poroplast). The dressing was left in place for 24 hours.
Examination of the challenge site was immediately, 24 and 48
hours after removal of the dressing.
Results:
Negative for sensitization
Results Remarks:
Number of animals with skin reaction at challenge: 0/10
Number of animals with skin reaction in control group at
challenge: 0/10.
Reliability:
Reference:
5.5
(1) Reliable without restrictions
Cassidy, S.L., Clark, D.G. (1977) Toxicology of alpha olefins:
Acute toxicity, skin and eye irritancy and skin sensitizing
potential of alpha olefin 103 PQ 11. Sittingbourne, Shell
Research Limited, TLGR.0.171.77 (unpublished report).
Repeated Dose Toxicity
No data available
5.6
Genetic Toxicity in vitro
A.
Gene Mutation
Test Substance:
C10-13 Internal Olefins
(Shop Olefins 103), linear
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 3747%); CAS No. 25377-82-6 (C13 = 8-17%)
Method
Method/guideline:
Type:
in-vitro bacterial reverse mutation – Ames Assay
System of testing:
bacterial
GLP:
No
Year:
1983
Species/Strain:
Salmonella typhimurium TA98, TA100, TA1535,
TA1537, TA1538, and Escherichia coli WP2 or WP2 uvrA
Metabolic activation:
With and without S9 fraction from induced rat
livers
Concentrations tested: 31.25, 62.5, 125, 250, 500, 1000, 2000 and 4000
µg/plate
Statistical Methods:
The mean and SD of the colony counts from cultures
derived from each flask were computed by standard
methods.
Test Conditions:
496
20 µl volumes of solutions of Olefin 103 PQ/11 in
ethanol/Tween 80 (1.5625, 3.125. 6.25. 12.5, 50, 100
mg/ml) or 40 ul of 100 mg/ml were added to top agar mix
to give final solutions of 31.25, 62.5, 125, 250, 500,
1000, 2000 and 4000 µg/plate both in the presence and in
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the absence of rat liver S9 fractions. The cultures
were incubated at 37oC for 48-72 hours before the
revertant colonies were counted. The activity of the S9
mix and the sensitivities of the strains TA1538, TA98
and TA100 were monitored by treating cultures with a
known positive control compound, benzo (a) pyrene, with
requires metabolic activation before it is able to
induce gene mutation. The sensitivity of TA1537 was
monitored by the indirect mutagen, neutral red; the
sensitivities of E. coli WP2 or WP2 uvrA pkm 101 and
TA1535 were monitored by testing with the direct-acting
mutagens, potassium dichromate or sodium azide,
respectively.
Results
Cytotoxic conc.: No cytotoxicity observed
Genotoxic effects:
Negative with and without metabolic activation
Remarks:
The test material did not lead to an increase in reverse
mutation frequency in any strain. No visible
precipitation of the test compound was observed in the
top agar overlay. Microscopic examination of the
background lawn in the plate incorporation assay showed
no reduction in growth in any of the strains tested.
All positive and negative controls responded in a manner
consistent with data from previous assays. The addition
of Olefin 103 PQ/11 at amount up to 4000 µg per plate to
agar layer cultures of Salmonella typhimurium TA98,
TA100, TA1535, TA1537, TA1538, and Escherichia coli WP2
or WP2 uvrA did not lead to an increase in the reverse
gene mutation frequency in any of the strains either in
the presence or absence of rat liver S9 fractions.
Reliability:
B.
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint.
References:
Brooks, TM, Clare, MG, Wiggins, DE (1983) Toxicity
studies with detergents: Genotoxicity studies with
Olefin 103 PQ/11 (Cracked Urea Wax Olefin). Shell
Research Limited, SBGR.83.299 (unpublished report).
Chromosomal Aberration
Test Substance:
C10-13 Internal Olefins
(Shop Olefins 103), linear
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 3747%); CAS No. 25377-82-6 (C13 = 8-17%)
Method
Method/guideline:
Type:
in-vitro rat liver cell chromosome aberration assay
System of testing:
non-bacterial
GLP:
No
Year:
1983
Type of cell used:
Rat liver RL1 cells
Metabolic activation:
No
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Concentrations tested:
Statistical Methods:
Test Conditions:
up to 500 µg/ml
The range of concentrations of the test compound to be
used to assess the cloning efficiency was determined
from the results of the initial assay. For each
concentration, including the solvent control, three 9 cm
diameter Petri dishes were used. Five hundred RL4 cells
were added to each dish and cells were incubated in 10
ml tissue culture medium at 37oC in a humidified
atmosphere containing 5% CO2. Twenty-four hours after
adding the cells, the medium was replaced with medium
containing the compound or solvent, which was replaced
with fresh medium after 24 hours exposure. Five days
later the cells were fixed and stained. Colonies
containing at least 50 cells were counted. The
concentration of the test compound that reduced the
number of colonies to an average of approximately 50% of
those on the dishes exposed to solvent only was used as
the highest concentration in the chromosome assay.
Results
Cytotoxic conc.: No cytotoxicity observed
Genotoxic effects:
Negative
Remarks:
Reliability:
5.7
There was no significant increase in the frequency of
chromatid gaps, chromatid breaks or total chromatid
aberrations in rat liver (RL4) cell cultures exposed to
Olefin 103 PQ/11 at concentrations up to 25 ug per ml.
All positive and negative controls responded in a manner
consistent with data from previous assays.
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
Dean, B.J. (1980) Toxicity studies with detergent
intermediates: In vitro genotoxicity studies with Shop
process components. Shell Research Limited, TLGR.80.074
(unpublished report).
Genetic Toxicity in vivo
No data available
5.8
Carcinogenicity
No data available
5.9
Reproductive Toxicity (including Fertility and Developmental Toxicity).
A.
Fertility
No data available
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Developmental Toxicity
No data available
5.10
Other Relevant Information
Aspiration
Test Substance
Identity:
C6-C18 even numbered alpha olefins
Method
Type:
Species:
Strain:
Sex:
Route of
Administration:
Dose:
aspiration
0.2 mL
Results:
See Remarks
Remarks:
C6-C18 alkenes (even carbon numbers, alpha olefins), source
and purity unspecified, were assessed for aspiration hazard in
an animal study using Wistar rats. Four or five males were
used per test article. Two-tenths mL of the test material was
placed in the mouths of rats that had been anesthetized to the
point of apnea in a covered wide mouth gallon jar containing
about 1 inch of wood shavings moistened with approximately 1
ounce of anhydrous diethyl ether.
As the animals began to
breathe again, the nostrils were held until the test material
had been aspirated or the animal regained consciousness. All
alkenes tested except 1- hexene were aspirated into the lungs.
1-Hexene was difficult to dose because of its volatility. Two
animals survived because the hydrocarbon “boiled” out of the
mouth before it was aspirated. All animals exposed to C8 to C14
died within 24 hours. With C16 and C18, there was only one
death (C18). Lung weights were increased in alkenes-treated
animals compared with controls. The affected animals showed
chemical pneumonitis. The report concluded that there is a
significant aspiration hazard with C6 to C14 alkenes.
Reference:
Gerarde, H.W. (1963) Toxicological Studies on
Archives of Environmental Health 6:329-341.
Other:
This study was included in the dossier for 1-decene at SIAM
11. Additional information has been added.
5.11
General toxicity – aspiration
Rat
Wistar
Male
Hydrocarbons.
Experience with Human Exposure
No data available
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6. REFERENCES
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
American Chemistry Council’s Higher Olefins Panel (2002) Personal communication.
Blair, D., Sedgewick, A.E. (1980) The acute inhalation toxicity of Olefins 103
PQ 11.
Sittingbourne, Shell Research Limited,
TLGR.80.052 (unpublished
report).
Brooks, TM, Clare, MG, Wiggins, DE (1983) Toxicity studies with detergents:
Genotoxicity studies with Olefin 103 PQ/11 (Cracked Urea Wax Olefin).
Shell
Research Limited, SBGR.83.299 (unpublished report).
Cassidy, S.L., Clark, D.G. (1977) Toxicology of alpha olefins: Acute toxicity,
skin and eye irritancy and skin sensitizing potential of alpha olefin 103 PQ 11.
Sittingbourne, Shell Research Limited, TLGR.0.171.77 (unpublished report).
Dean, B.J. (1980) Toxicity studies with detergent
genotoxicity studies with Shop process components.
TLGR.80.074 (unpublished report).
intermediates: In vitro
Shell Research Limited,
Enichem Augusta Industrials, Milan
Enichem Augusta Industrials, Milan, as cited in IUCLID
ENICHEM, Environmental partitioning model:
Garlanda T and Mascero Garlanda M. (1990).
a
computer
program
prepared
by
Exxon Biomedical Sciences, Inc. (1996)
Fish, Acute Toxicity Test. Study
#119258. Exxon Biomedical Sciences, Inc., East Millstone, NJ, USA (unpublished
report).
Exxon Biomedical Sciences, Inc. (1997)
Ready Biodegradability: OECD 301F
Manometric Respirometry. Study #119294A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).
Gerarde, H.W. (1963) Toxicological
Environmental Health 6:329-341.
Studies
on
Hydrocarbons.
Archives
of
Gould, E.S. (1959) Mechanism and Structure in Organic Chemistry,
Holt, Reinhart and Winston, New York, NY, USA.
Hansch C. and A. Leo (1979) Substituent constants for correlation analysis in
chemistry and biology, Wiley, New York.
Harris J C (1982a). Rate of Aqueous Photolysis. Chapter 8 in: W. J. Lyman, W. F.
Reehl, and D. H. Rosenblatt, eds., Handbook of Chemical Property Estimation
Methods, McGraw-Hill Book Company, New York, USA
Harris, J.C. (1982b) Rate of Hydrolysis, Chapter 7 in: W.J. Lyman, W.F. Reehl,
and D.H. Rosenblatt, eds., Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.
Hilltop Biolabs, Inc. (1992) Primary Skin Irritation Study in Rabbits; Performed
for Shell Oil Company (unpublished report).
MacKay, D. (1991) Multimedia Environmental
Lewis Publishers Inc. Chelsea Michigan USA.
Models:
The
Fugacity
Approach.
Miller RC, Watkinson RJ. (1984).
Olefins 103 PQ 11: An Assessment of Ready
Biodegradability.
Shell
Research
Limited,
Sittingbourne
Research
Center
(unpublished report).
Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G. E. Blau, eds.
Environmental Exposure from Chemicals. Vol I., pp. 157-173. CRC Press, Boca
Raton, FL, USA.
500
UNEP PUBLICATIONS
OECD SIDS
6. REFERENCES
ALKENES, C10-13
ID: 85535-87-1
DATE: 28.04.2005
NLM (2003). TRI (Toxic Release Inventory). U.S. National Library of Medicine,
Specialized Information Services, National Institutes of Health, Department of
Health and Human Services. September 2003 (http://toxnet.nlm.nih.gov).
Shell Chemicals UK Ltd, Chester as cited in IUCLID
Shell Chemicals UK Ltd., Chester
Shell Research Limited (1984) Olefins 103 PQ 11: Acute toxicity to Salmo
gairdneri, Daphnia magna and Selenastrum capricornutum. Sittingbourne Research
Centre, SBGR.83.359 (unpublished report).
Shell Research Limited (1985) SHOP Olefins 103: Acute toxicity ( Salmo
gairdneri, Daphnia magna and Selenastrum capricornutum) and n-octanol/water
partition coefficient. Sittingbourne Research Centre, SBGR.85.182 (unpublished
report).
Shell Toxicology Laboratory, Tunstall (1977) Toxicology of alpha olefins: Acute
toxicity, skin and eye irritancy and skin sensitizing potential of alpha olefin
103 PQ 11 (unpublished report).
Turner, S.J., Watkinson, R.J., (1985) Shop Olefins 103: An assessment of Ready
Biodegradability,
Sittingbourne,
Shell
Research
Limited,
SBGR.85.106
(unpublished report).
Trent University (2004). Level I Fugacity-based Environmental Equilibrium
Partitioning Model (Version 3.00) and Level III Fugacity-based Multimedia
Environmental Model (Version 2.80.1. Environmental Modeling Centre, Trent
University, Peterborough, Ontario. (Available at http://www.trentu.ca/cemc)
WIL Research Laboratories, Inc. (1995) Acute Dermal Toxicity Study of NEODENE®13
Internal Olefin in Albino Rats; Performed for Shell Chemical Co. (unpublished
report).
WIL Research Laboratories, Inc. (1995) Acute Oral Toxicity Study of NEODENE®13
Internal Olefin in Albino Rats; Performed for Shell Chemical Co. (unpublished
report).
WIL Research Laboratories, Inc. (1995) Primary Dermal Irritation Study of
NEODENE®13 Internal Olefin in Albino Rabbits; Performed for Shell Chemical Co.
(unpublished report).
Zahlsen, K., I. Eide, A.M. Nilsen and O.G. Nilsen (1993) Inhalation kinetics of
C8-C10 1-alkenes and iso-alkanes in the rat after repeated exposures.
Pharmacology & Toxicology 73:163-168.
Zepp, R. G. and D. M. Cline (1977). Rates of Direct Photolysis in the Aqueous
Environment, Environ. Sci. Technol., 11:359-366.
UNEP PUBLICATIONS
501
OECD SIDS
DODECENE
SIDS DOSSIER
ON THE HPV CHEMICAL
DODECENE
CAS No.: 25378-22-7
Contains Robust Summaries for the Following Substances:
CAS No. 25378-22-7, Dodecene
CAS No. 112-41-4, 1-Dodecene
CAS No. 68526-58-9; Alkenes, C11-13, C12-Rich
CAS No. 68526-58-9; Alkenes, C12-14, C13-Rich
CAS No. 85535-87-1, Alkenes C10-13
C10-13 Alpha olefins
C10-13 Internal olefins (SHOP Olefins 103PQ11/Olefins 103 PQ11/SHOP Olefins 103)
C12-16 Alpha Olefin Fraction (GULFTENE 12-16)
Sponsor Country: USA
Date of submission to OECD:
502
April 28, 2005
UNEP PUBLICATIONS
OECD SIDS
1. GENERAL INFORMATION
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
Substance Information
A.
CAS Number:
25378-22-7
B.
Name (OECD):
Dodecene
C.
Name (IUPAC):
Dodecene
D.
CAS Descriptor:
Not applicable
E.
EINECS Number:
246-922-9 (dodecene)
F.
Molecular Formula:
C12 H24
G.
Structural Formula:
Various linear or branched isomers with internal
double bonds with the basic structure of CH3CH=CH-(CH2)8-CH3
Sponsor Country:
United States of America
Lead Organisation:
Name of Lead Organisation:
Contact person:
Address:
• Street:
• Postal code:
• Town:
• Country:
• Tel:
C.
United States of America Environmental
Protection Agency
Mr. Oscar Hernandez, Director
U.S. Environmental Protection Agency
Risk Assessment Division (7403 M)
1200 Pennsylvania Avenue, NW
20460
Washington, D.C. 20460
United States of America
(202) 564-7461
Name of Responder (Industry Consortium):
Name:
Contact:
Address:
• Street:
• Postal code:
• Town:
• Country:
• Tel:
• Fax:
American Chemistry Council (Higher Olefins Panel)
Mr. W. D. Anderson, Higher Olefins Panel Manager
1300 Wilson Boulevard
22209
Arlington, VA
United States of America
(703)741-5616
(703) 741-6091
Details on Chemical Category
This profile includes an evaluation of SIDS-level testing data, using a category
approach, with six individual internal olefins (C6 – C10 and C12), a C10 – 13
internal olefins blend and two linear alpha olefins (1-hexadecene and 1octadecene), all of which are monoolefins. The internal olefins are
predominantly linear, but may contain small amounts of branched materials. For
the purposes of the ICCA HPV Program, the category was defined as “Higher
Olefins.” The category designation was based on the belief that, within the C6
UNEP PUBLICATIONS
503
OECD SIDS
1. GENERAL INFORMATION
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
to C18 boundaries identified, internalizing the location of the carbon-carbon
double bond, increasing the length of the carbon chain, and/or changing the
carbon skeleton’s structure from linear to branched does not change the toxicity
profile, or changes the profile in a consistent pattern from lower to higher
carbon numbers. This expectation is supported by a large amount of existing data
for alpha and internal olefins with carbon numbers ranging from C6 to C24. The
members of the category are:
Hexene
CAS # 25264-93-1
Heptene
CAS # 25339-56-4
Octene
CAS # 25377-83-7
Nonene
CAS # 27215-95-8
Decene
CAS # 25339-53-1
Dodecene
CAS # 25378-22-7
Alkenes, C10-C13
CAS# 85535-87-1
1-Hexadecene
CAS # 629-73-2
1-Octadecene
CAS # 112-88-9
1.1
General Substance Information
A.
Type of Substance
Element [ ]; Inorganic [ ]; Natural substance [ ]; Organic [X ];
Organometallic [ ];
Petroleum product [ ]
B.
Physical State (at 20°C and 1.013 hPa)
Gaseous [ ]; Liquid [X ]; Solid [ ]
C.
Purity:
Remark:
1.2
Impurities:
1.3
Additives
This substance is manufactured and marketed as a component of
a blend.
None
1.4 Synonyms
Some synonyms are:
1.5
Quantity
Remarks:
504
Dodecylene
A Chemical Economics Handbook marketing report indicated that 2000
global production for dodecene was approximately 695 million pounds
UNEP PUBLICATIONS
OECD SIDS
1. GENERAL INFORMATION
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
(315,000 metric tons) with the United States accounting for 47%
(SRI, 2001). U.S. production volume for dodecene in 2002 provided by
the members of the American Chemistry Council’s Higher Olefins Panel
was 1-10 million pounds.
Reference:
American Chemistry Council’s Higher Olefins Panel (2002)
1.6
Use Pattern
A.
General Use Pattern
Type of Use:
(a)Main
Industrial
Use
Remarks:
(b)Main
Industrial
Use
Remarks:
Reference:
B.
Category:
Use in closed systems
Chemical industry – chemicals used in synthesis
Intermediate
Intermediate in the manufacture of
polyalphaolefins and other additives for
lubricants, detergent alcohols, amine oxides and
amines
Non-dispersive use
Chemical industry – chemicals used in synthesis
Intermediate
Intermediate in the manufacture of
polyalphaolefins and other additives for
lubricants, detergent alcohols, amine oxides and
amines
American Chemistry Council’s Higher Olefins Panel
Uses In Consumer Products
Not applicable
1.7
Sources of Exposure
Source:
Remarks:
This product is produced commercially in closed systems and is used
primarily as an intermediate in the production of other chemicals.
No non-intermediate applications have been identified. Any
occupational exposures that do occur are most likely by the
inhalation and dermal routes. It is a common practice to use
personal protective equipment. In the case of dermal exposures,
protective gloves would be worn due to the mildly irritating
properties of this class of chemicals (ACC Higher Olefins Panel).
Results from modelled data suggest that on-site waste treatment
processes are expected to remove this substance from aqueous waste
streams to the extent that it will not be readily detectable in
effluent discharge (EPIWIN, 2000b). This substance is not on the US
Toxic Release Inventory (TRI) list (NLM, 2003). This olefin will not
persist in the environment because it can be rapidly degraded
through biotic and abiotic processes.
Reference:
American Chemistry Council’s Higher Olefins Panel
UNEP PUBLICATIONS
505
OECD SIDS
1. GENERAL INFORMATION
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
1.8
Additional Information
A.
Classification and Labelling
Classification
Type:
Category of danger:
R-phrases:
as in Directive 67/548/EEC
Harmful, Irritant, Dangerous to the environment
(38) Irritating to skin
(51/53) Toxic to aquatic organisms and may cause
long-term adverse
effects in the aquatic environment
(65) Harmful: may cause lung damage if swallowed
Labelling
B.
Type:
Specific limits:
Symbols:
Nota:
R-phrases:
as in Directive 67/548/EEC
no
Xn, N
S-phrases:
(24) Avoid contact with skin
(29) Do not empty into drains
(33) Take precautionary measures against static
discharges
(61) Avoid release to the environment
(S62) If swallowed, do not induce vomiting: seek medical
advice immediately and show this container or label
(38) Irritating to skin
(51/53) Toxic to aquatic organisms and may cause longterm adverse effects in the aquatic environment
(65) Harmful: may cause lung damage if swallowed
Occupational Exposure Limits
Exposure Limit Value
Type:
Value:
None available
Short Term Exposure Limit Value
Value:
Length of
exposure period:
Frequency:
C.
Options For Disposal
Remarks:
D.
Incineration, diversion to other hydrocarbon uses
Last Literature Search
Type of search:
Date of search:
506
None available
Internal and external
October 2003
UNEP PUBLICATIONS
OECD SIDS
1. GENERAL INFORMATION
Remark:
E.
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
Medline
IUCLID
TSCATS
ChemIDplus
AQUIRE - ECOTOX
Other Remarks
UNEP PUBLICATIONS
507
OECD SIDS
2. PHYSICO-CHEMICAL DATA
2.1
Melting
A.
Test Substance
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
Point
Identity:
CAS No. 25378-22-7, Dodecene
Method
Method/
guideline followed:
No data
GLP:
No data
Year:
No data
Test Conditions:
No data
Results
Melting point
value in °C:
B.
-35.2°C
Reliability:
(2) Reliable with restrictions: The result is measured
data as cited in the EPIWIN database. These data were
not reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
Test Substance
Identity:
CAS No. 25378-22-7, Dodecene
Method
Method/
guideline followed:
Calculated value using the computer program EPIWIN
version 3.10
GLP:
Not applicable
Year:
Not applicable
Test Conditions:
Results
Melting point
value in °C:
Reliability:
508
Melting Point is calculated by the MPBPWIN subroutine,
which is based on the average results of the methods of
K. Joback, and Gold and Ogle, and chemical structure.
Joback's Method is described in Joback, (1982). The Gold
and Ogle Method simply uses the formula Tm = 0.5839Tb,
where Tm is the melting point in Kelvin and Tb is the
boiling point in Kelvin. Program used the structure for
1-dodecene.
-22.16°C
(2) Reliable with restrictions. The result is
calculated data based on chemical structure as modeled
by EPIWIN.
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
References:
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
Joback, K.G. 1982. A Unified Approach to Physical
Property Estimation Using Multivariate Statistical
Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E.
Poling, Eds.
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
2.2
Boiling Point
A.
Test Substance
Identity:
CAS No. 25378-22-7, Dodecene
Method
Method/
guideline followed:
No data
GLP:
No data
Year:
No data
Test Conditions:
No data
Results
Boiling point
value in °C:
Pressure:
Pressure unit:
B.
1013
213.8°C
hPa
Reliability:
(2) Reliable with restrictions. The result is measured
data as cited in the EPIWIN database. These data were
not reviewed for quality.
Flag:
Key study for SIDS endpoint
References:
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
Test Substance
Identity:
CAS No. 25378-22-7, Dodecene
Method
Method/
guideline followed:
Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10
GLP:
Not applicable
Year:
Not applicable
Test Conditions:
Boiling Point is calculated by the MPBPWIN subroutine,
which is based on the method of Stein and Brown (1994).
Program used the structure for 1-dodecene.
UNEP PUBLICATIONS
509
OECD SIDS
2. PHYSICO-CHEMICAL DATA
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
Results
Boiling point
value in °C:
Pressure:
Pressure unit:
1013
204.24°C
hPa
Reliability:
(2) Reliable with restrictions. The result is
calculated data based on chemical structure as modeled
by EPIWIN.
References:
Stein, S. and R. Brown (1994) Estimation of normal
boiling points from group contributions, J. Chem. Inf.
Comput. Sci. 34: 581-587.
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
2.3
Density (Relative Density)
Test Substance
Identity:
CAS No. 6842-15-5, Dodecene
Method
Method:
GLP:
No data
No data
Test Conditions:
No data
Results
Type:
Value:
Temperature (°C): 20°C
specific gravity
0.77
Reliability:
(2) Reliable with restrictions. Reliable secondary
source. These data were not reviewed for quality.
Reference:
U.S. Coast Guard Department of Transportation. CHRIS –
Chemical Hazards Response Information System Washington,
DC, information last updated 2002, website:
http://www.chrismanual.com/default.htm.
2.4
Vapour Pressure
A.
Test Substance
Identity:
CAS No. 25378-22-7, Dodecene
Method
Method/
guideline followed:
Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10
GLP:
Not applicable
510
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
Year:
Test Conditions:
Vapor Pressure is calculated by the MPBPWIN subroutine,
which is based on the average result of the methods of
Antoine and Grain. Both methods use boiling point for
the calculation. The Antoine Method is described by
Lyman et al., 1990. A modified Grain Method is
described by Neely and Blau, 1985. The calculation used
an experimental value for BP of 213.8 °C from the EPIWIN
database.
Results
Vapor Pressure
Value:
Temperature:
Remarks:
0.356 hPa
25°C
Reported as 0.267 mm Hg (25°C)
Reliability:
(2) Reliable with restrictions. The result is
calculated data as modeled by EPIWIN.
Flag:
Key study for SIDS endpoint
References:
Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds.
(1990) Handbook of Chemical Property Estimation. Chapter
14. Washington, D.C.: American Chemical Society.
Neely and Blau (1985) Environmental Exposure from
Chemicals, Volume 1, p. 31, CRC Press.
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
B.
Test Substance
Identity:
CAS No. 112-41-4, 1-Dodecene
Method
Method/
guideline followed:
GLP:
Year:
No data
No data
No data
Test Conditions:
No data
Results
Vapor Pressure
Value:
Temperature:
Remarks:
0.212 hPa
25°C
Reported as 0.159 mm Hg (25°C)
Reliability:
(2) Reliable with restrictions. The result is
experimental data as cited in EPIWIN.
Flag:
Key study for SIDS endpoint
UNEP PUBLICATIONS
511
OECD SIDS
2. PHYSICO-CHEMICAL DATA
References:
2.5
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
Daubert, T.E. and R.P. Danner (1989) Physical and
Thermodynamic Properties of Pure Chemicals: Data
Compilation; Design Institute for Physical Property
Data, American Institute of Chemical Engineers.
Hemisphere Pub. Corp., New York, NY; EPIWIN (2000a)
Estimation Program Interface for Windows, version 3.10.
Syracuse Research Corporation, Syracuse, NY. USA.
Partition Coefficient (log10Kow)
Test Substance
Identity:
CAS No. 25378-22-7, Dodecene
Method
Method:
GLP:
Year:
Test Conditions:
Calculated value using the computer program EPIWIN
version 3.10, subroutine KOWWIN v 1.66
Not applicable
Not applicable
Octanol / Water Partition Coefficient is calculated by
the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995). EPIWIN used structure for 1-dodecene.
Results
Log Kow:
6.10
Temperature (°C ): Not applicable
Reliability:
(2) Reliable with restrictions. The result was
calculated based on chemical structure as modeled by
EIPWIN.
Flag:
Key study for SIDS endpoint
Reference:
Meylan, W. and P. Howard (1995) Atom/fragment
contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
2.6.1
A.
Water Solubility (including *Dissociation Constant).
Test Substance
Identity:
CAS No. 25378-22-7, Dodecene
Method
Method/
guideline followed:
GLP:
Year:
512
Calculated value using the computer program EPIWIN
3.11, subroutine WSKOW v 1.41
Not applicable
Not applicable
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
Test Conditions:
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
Water Solubility is calculated by the WSKOW
subroutine, which is based on a Kow correlation
method described by Meylan et al., 1996.
Estimated (EPIWIN) Log Kow value of 6.10 used for
calculation. EPIWIN used alpha structure to
calculate Log Kow. Measured melting point of -35.2
°C used.
Results
Value(mg/L) at
temperature ( °C):
0.1245 mg/L (25°C)
Reliability:
(2) Reliable with restrictions. The result is a
calculated value.
Flag:
Key study for SIDS endpoint
References:
Meylan, W., P. Howard and R. Boethling (1996)
Improved method for estimating water solubility
from octanol/water partition coefficient. Environ.
Toxicol. Chem. 15:100-106.
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
B.
Test Substance
Identity:
2- Dodecene
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
Calculated value using the computer program EPIWIN
3.10, subroutine WSKOW v 1.40
Not applicable
Not applicable
Water Solubility is calculated by the WSKOW
subroutine, which is based on a Kow correlation
method described by Meylan et al., 1996.
Estimated (EPIWIN) Log Kow value of 6.02 used for
calculation. Default values used for calculation
Results
Value(mg/L) at
temperature ( °C):
0.1315 mg/L (25°C)
Reliability:
(2) Reliable with restrictions. The result is a
calculated value.
References:
Meylan, W., P. Howard and R. Boethling (1996)
Improved method for estimating water solubility
from octanol/water partition coefficient. Environ.
Toxicol. Chem. 15:100-106.
UNEP PUBLICATIONS
513
OECD SIDS
2. PHYSICO-CHEMICAL DATA
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
EPIWIN (2000a). Estimation Program Interface for
Windows, version 3.10. Syracuse Research
Corporation, Syracuse, NY. USA.
C.
Test Substance
Identity:
CAS No. 112-41-4,
1-Dodecene
Method
Method/
guideline followed:
GLP:
Year:
Test Conditions:
Calculated value using the computer program EPIWIN
3.10, subroutine WSKOW v 1.40
Not applicable
Not applicable
Water Solubility is calculated by the WSKOW
subroutine, which is based on a Kow correlation
method described by Meylan et al., 1996.
Estimated (EPIWIN) Log Kow value of 6.10 used for
calculation. Default values used for calculation.
Results
Value(mg/L) at
temperature ( °C):
0.1127 mg/L (25°C)
Reliability:
(2) Reliable with restrictions. The result is a
calculated value.
References:
Meylan, W., P. Howard and R. Boethling (1996)
Improved method for estimating water solubility
from octanol/water partition coefficient. Environ.
Toxicol. Chem. 15:100-106.
EPIWIN (2000a). Estimation Program Interface for
Windows, version 3.10. Syracuse Research
Corporation, Syracuse, NY. USA.
2.6.2 Surface tension
No data available
2.7
Flash Point (Liquids)
Test Substance
Identity:
CAS No. 112-41-4, 1-Dodecene
Method
Method:
GLP:
ASTM D56
Test Conditions:
No data
Results
Value (°C):
514
77 °C
UNEP PUBLICATIONS
OECD SIDS
2. PHYSICO-CHEMICAL DATA
Type of test:
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
Closed cup
Reliability:
(2) Reliable with restrictions. Reliable secondary source.
These data were not reviewed for quality.
Reference:
Lappin, G.R. and J.D. Sauer (1989) Alpha Olefins Application
Handbook, Marcel Dekker, Inc., N.Y.
2.8
Auto Flammability (Solids/Gases)
No data available
2.9
Flammability
No data available
2.10
Explosive Properties
No data available
2.11
Oxidising Properties
No data available
2.12
Oxidation-Reduction Potential
No data available
UNEP PUBLICATIONS
515
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
3.1
Stability
A.
Photodegradation
(1)
Test Substance
Identity:
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
CAS No. 25378-22-7, Dodecene
Method
Method/
guideline followed:
Other: Technical discussion
Type:
GLP:
Year:
water
Not applicable
Not applicable
Test Conditions:
Not applicable
Results
Direct photolysis:
In the environment, direct photolysis will
not significantly contribute to the degradation of
constituent chemicals in the Higher Olefins
Category.
Remarks:
The direct photolysis of an organic molecule
occurs when it absorbs sufficient light energy to
result in a structural transformation (Harris,
1982a). The reaction process is initiated when
light energy in a specific wavelength range
elevates a molecule to an electronically excited
state. However, the excited state is competitive
with various deactivation processes that can
result in the return of the molecule to a non
excited state.
The absorption of light in the ultra violet (UV)visible range, 110-750 nm, can result in the
electronic excitation of an organic molecule.
Light in this range contains energy of the same
order of magnitude as covalent bond dissociation
energies (Harris, 1982a). Higher wavelengths (e.g.
infrared) result only in vibrational and
rotational transitions, which do not tend to
produce structural changes to a molecule.
The stratospheric ozone layer prevents UV light of
less than 290 nm from reaching the earth's
surface. Therefore, only light at wavelengths
between 290 and 750 nm can result in photochemical
transformations in the environment (Harris,
1982a). Although the absorption of UV light in the
290-750 nm range is necessary, it is not always
sufficient for a chemical to undergo photochemical
degradation. Energy may be re-emitted from an
excited molecule by mechanisms other than chemical
transformation, resulting in no change to the
parent molecule.
516
UNEP PUBLICATIONS
OECD SIDS
3. ENVIRONMENTAL FATE AND PATHWAYS
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
A conservative approach to estimating a
photochemical degradation rate is to assume that
degradation will occur in proportion to the amount
of light wavelengths >290 nm absorbed by the
molecule (Zepp and Cline, 1977).
Olefins with one double bond, such as the
chemicals in the Higher Olefins category, do not
absorb appreciable light energy above 290 nm. The
absorption of UV light to cause cis-trans
isomerization about the double bond of an olefin
occurs only if it is in conjugation with an
aromatic ring (Harris, 1982a).
Products in the Higher Olefins Category do not
contain component molecules that will undergo
direct photolysis. Therefore, this fate process
will not contribute to a measurable degradative
removal of chemical components in this category
from the environment.
Reliability:
Not applicable
References:
Harris J C (1982a). Rate of Aqueous Photolysis.
Chapter 8 in: W. J. Lyman, W. F. Reehl, and D. H.
Rosenblatt, eds., Handbook of Chemical Property
Estimation Methods, McGraw-Hill Book Company, New
York, USA.
Zepp, R. G. and D. M. Cline (1977). Rates of
Direct Photolysis in the Aqueous Environment,
Environ. Sci. Technol., 11:359-366.
(2)
Test Substance
Identity:
CAS No. 25378-22-7, Dodecene
Method
Method/
guideline followed:
Calculated values using AOPWIN version 1.91,
a subroutine of the computer program EIPWIN
version 3.11 which uses a program described by
Meylan and Howard (1993) . Program used the
structure for 1-dodecene.
Type:
GLP:
Year:
air
Not applicable
Not applicable
Results
Indirect photolysis
Sensitiser (type):
Rate Constant:
Degradation % after:
OH
38.6563 E-12 cm3/molecule-sec
50% after 3.320 hrs (using 12-hr day and
avg. OH conc. of 1.5 E6 OH/cm3)
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Sensitiser (type):
Rate Constant:
Degradation % after:
of 7 E11 mol/cm3)
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
Ozone
1.2 E-17 cm3/molecule-sec
50% after 22.920 hrs (using avg. ozone conc.
Reliability:
(2) Reliable with restrictions. The value was
calculated data based on chemical structure as
modeled by EPIWIN. This robust summary has a
rating of 2 because the data are calculated and
not measured.
Flag:
Critical study for SIDS endpoint
References:
Meylan, W.M. and Howard, P.H. (1993) Computer
estimation of the atmospheric gas-phase reaction
rate of organic compounds with hydroxyl radicals
and ozone. Chemosphere 26: 2293-99
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.
B.
Stability in Water
Test Substance
Identity:
CAS No. 25378-22-7, Dodecene
Method
Method/
guideline followed:
Type (test type):
GLP: Yes [ ] No[ ]
Year:
Other – Technical Discussion
Test Conditions:
Not applicable
Results:
Not applicable
Remarks:
Hydrolysis of an organic molecule occurs when a molecule
(R-X) reacts with water (H2O) to form a new carbonoxygen bond after the carbon-X bond is cleaved (Gould,
1959; Harris, 1982b). Mechanistically, this reaction is
referred to as a nucleophilic substitution reaction,
where X is the leaving group being replaced by the
incoming nucleophilic oxygen from the water molecule.
The leaving group, X, must be a molecule other than
carbon because for hydrolysis to occur, the R-X bond
cannot be a carbon-carbon bond. The carbon atom lacks
sufficient electronegativity to be a good leaving group
and carbon-carbon bonds are too stable (high bond
energy) to be cleaved by nucleophilic substitution.
Thus, hydrocarbons, including alkenes, are not subject
to hydrolysis (Harris, 1982b) and this fate process will
not contribute to the degradative loss of chemical
components in this category from the environment.
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Under strongly acidic conditions the carbon-carbon
double bond found in alkenes, such as those in the
Higher Olefins Category, will react with water by an
addition reaction mechanism (Gould, 1959). The reaction
product is an alcohol. This reaction is not considered
to be hydrolysis because the carbon-carbon linkage is
not cleaved and because the reaction is freely
reversible (Harris, 1982b). Substances that have a
potential to hydrolyze include alkyl halides, amides,
carbamates, carboxylic acid esters and lactones,
epoxides, phosphate esters, and sulfonic acid esters
(Neely, 1985).
The substances in the Higher Olefins Category are
primarily olefins that contain at least one double bond
(alkenes). The remaining chemicals are saturated
hydrocarbons (alkanes). These two groups of chemicals
contain only carbon and hydrogen. As such, their
molecular structure is not subject to the hydrolytic
mechanism discussed above. Therefore, chemicals in the
Higher Olefins Category have a very low potential to
hydrolyze, and this degradative process will not
contribute to their removal in the environment.
Conclusions:
Reliability:
References:
In the environment, hydrolysis will not contribute to
the degradation of dodecene.
Not applicable
Gould, E.S. (1959) Mechanism and Structure in Organic
Chemistry,
Holt, Reinhart and Winston, New York, NY, USA.
Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in:
W.J. Lyman, W.F. Reehl, and D.H. Rosenblatt, eds.,
Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.
Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G.
E. Blau, eds. Environmental Exposure from Chemicals. Vol
I., pp. 157-173. CRC Press, Boca Raton, FL, USA.
C.
Stability In Soil
No data available
3.2
Monitoring Data (Environment)
No data available.
3.3
Transport and Distribution
3.3.1 Transport between environmental compartments
A.
Test Substance
Identity:
CAS No. 25378-22-7, Dodecene
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DODECENE
ID: 25378-22-7
DATE: 28.04.2005
Method
Type:
Fugacity models, Mackay Levels I and
III
Remarks:
Trent University model used for calculations. Half-lives in
water, soil and sediment estimated using EPIWIN (EPIWIN,
2000b)
Chemical assumptions:
Molecular weight:
Water solubility:
Vapor pressure:
Log Kow:
Melting point:
Environment name:
168
0.125 g/m3
35.6 Pa (25°C)
6.1
-35.2°C
EQC Standard Environment
Half-life in air = 5.149 hr, half-life in water = 360 hr,
half-life in soil = 360 hr, half-life in sediment = 1440 hr
All other parameters were default values. Emissions for Level
I = 1000 kg. Level III model assumed continuous 1000 kg/hr
releases to each compartment (air, water and soil).
Results
Media: Air, soil, water and sediment concentrations were
estimated
Air
Water
Soil
Sediment
Remarks:
Level I
89%
<1%
10.3%
<1%
Since default assumptions for release estimates were used,
resulting environmental concentrations are not provided.
Conclusions:
These results indicated that
primarily to air under equilibrium
but primarily to soil and sediment
of chemical release (equal loading
the Level III model.
Reliability:
Flag:
Level III
<1%
13%
33.9%
52.5%
dodecene will partition
conditions (Level I model),
under the assumed pattern
of water, soil and air) in
(2) Valid with restrictions: Data are calculated.
Critical study for SIDS endpoint
References: Trent University (2004). Level I Fugacity-based Environmental
Equilibrium Partitioning Model (Version 3.00) and Level III
Fugacity-based Multimedia Environmental Model (Version 2.80.1.
Environmental Modeling Centre, Trent University, Peterborough,
Ontario. (Available at http://www.trentu.ca/cemc)
EPIWIN (2000b). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
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B.
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
Test Substance
Identity:
CAS No. 25378-22-7, Dodecene
Method
Type:
Volatilization from water
Remarks:
Calculated using the computer program EPIWIN version
3.10, using a
Henry’s Law Constant of 1.96 atm-m3/mole (calculated
estimated by Bond SAR method).
Results:
Half-life from a model river: 1.325 hrs
Half-life from a model lake: 5.1 days
Reliability:
calculated.
References:
(2) Valid with restrictions. Values are
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10 Syracuse Research Corporation, Syracuse,
NY. USA.
3.3.2 Distribution
A.
Test Substance
Identity:
CAS No. 25378-22-7, Dodecene
Method
Method:
Adsorption Coefficient (Koc) calculated value using the
computer program EPIWIN, PCKOC v 1.66, based on the
method of Meylan et al., 1992.
Test Conditions:
for 1-dodecene
Based on chemical structure. Program used the structure
Results
Value:
Estimated Koc = 5864
Reliability:
(2)
Reliable with restrictions. Value is calculated.
Reference:
Meylan, W., P.H. Howard and R.S. Boethling (1992)
Molecular topology/fragment contribution method for
predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
B.
Test Substance
Identity:
CAS No. 25378-22-7, Dodecene
Method
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DODECENE
ID: 25378-22-7
DATE: 28.04.2005
Method:
Henry’s Law Constant calculated value using the computer
program EPIWIN, HENRYWIN v 3.10
Test Conditions:
Bond and Group estimates based on chemical structure, at
25°C; VP/water solubility estimates based on EPIWIN
values of VP = 0.267 mm Hg and WS = 0.125 mg/L. Program
used the structure for 1-dodecene.
Results
Value:
Bond estimate = 1.96 atm-m3/mole
Group estimate = 4.25 atm-m3/mole
VP/Wsol estimate = 0. 475 atm-m3/mole
Reliability:
(2)
Reference:
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
3.4
Aerobic Biodegradation
A.
Test Substance
Identity:
Reliable with restrictions. Values are calculated.
CAS No. 68526-58-9; Alkenes, C11-13, C12 Rich
Method
Method/guideline:
Respirometry Test
OECD
301F,
Ready
Biodegradability,
Manometric
Type:
GLP:
Aerobic [X ] Anaerobic [ ]
Yes
Year:
1993
Contact time:
Inoculum:
28 days
Domestic activated sludge
Test Conditions:
Activated sludge and test medium were combined prior to
test material addition. Test medium consisted of glass
distilled water and mineral salts (phosphate buffer,
ferric
chloride,
magnesium
sulfate,
and
calcium
chloride).
Test vessels were 1L glass flasks placed in a waterbath
and electronically monitored for oxygen consumption.
Test material was tested in triplicate, controls and
blanks were tested in duplicate.
Test material loading was approximately 50 mg/L. [Reason
for using 50 mg/L instead of 100 mg/L: Substances such
as this test material typically have ThODs between 2 and
3 mg per mg substance. Thus, the test material
concentration was adjusted for a target of 100 mg
THOD/L] Sodium benzoate (positive control) concentration
was approximately 50 mg/L.
Test temperature was 22 +/- 1 Deg C.
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All test vessels were stirred constantly for 28 days
using magnetic stir bars and plates.
Results:
Approximately 23% biodegradation of the test material
was measured on day 28. By day 14, >60% biodegradation
of the positive control was measured, which meets the
guideline requirement. No excursions from the protocol
were noted. Biodegradation was based on oxygen
consumption and the theoretical oxygen demand of the
test material as calculated using results of an
elemental analysis of the test material.
Sample
Test Material
Na Benzoate
% Degradation*
(day 28)
19.0, 23.8, 25.3
91.0, 81.3
Mean % Degradation
(day 28)
22.7
86.3
* replicate data
B.
Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
Reference:
Exxon Biomedical Sciences, Inc. (1997) Ready
Biodegradability: OECD 301F Manometric Respirometry.
Study #115894A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).
Test Substance
Identity:
CAS No. 68526-58-9; Alkenes, C12-14, C13 Rich
Method
Method/guideline:
Respirometry Test
OECD
301F,
Ready
Biodegradability,
Manometric
Type:
GLP:
Yes
Aerobic [X ] Anaerobic [ ]
Year:
1995
Contact time:
Inoculum:
28 days
Domestic activated sludge
Test Conditions:
Activated sludge and test medium were combined prior to
test material addition. Test medium consisted of glass
distilled water and mineral salts (phosphate buffer,
ferric chloride, magnesium sulfate, and calcium
chloride). Test vessels were 1L glass flasks placed in a
waterbath and electronically monitored for oxygen
consumption.Test material was tested in triplicate,
controls and blanks were tested in duplicate. Test
material loading was 45 mg/L. [Reason for using 45 mg/L
instead of 100 mg/L: Substances such as this test
material typically have ThODs between 2 and 3 mg per mg
substance. Thus, the test material concentration was
adjusted for a target of 100 mg THOD/L] Sodium benzoate
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(positive control) concentration was approximately 50
mg/L. Test temperature was 22 +/- 1 Deg C. All test
vessels were stirred constantly for 28 days using
magnetic stir bars and plates.
Results:
Approximately 8% biodegradation of the test material was
measured on day 28.
Remarks:
By day 14, >60% biodegradation of the positive control
was measured, which meets the guideline requirement. No
excursions from the protocol were noted. Biodegradation
was based on oxygen consumption and the theoretical
oxygen demand of the test material as calculated using
results of an elemental analysis of the test material.
Degradation
Sample
Test Material
Na Benzoate
% Degradation*
Mean %
(day 28)
6.28, 8.26, 8.35
88.2, 86.5
87.4
(day 28)
7.63
* replicate data
C.
Reliability:
(1) Reliable without restrictions
Reference:
Exxon Biomedical Sciences, Inc. (1997) Ready
Biodegradability: OECD 301F Manometric Respirometry.
Study #119394A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).
Test Substance
Identity:
C10-13 Internal Olefins
(Shop Olefins 103), linear
Remarks:
Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 3747%); CAS No. 25377-82-6 (C13 = 8-17%)
Method
Method/guideline:
OECD 301D Closed Bottle Test
Type:
Aerobic [X ] Anaerobic [ ]
GLP:
Yes
Year:
1985
Contact time:
28 days
Inoculum:
Activated domestic sludge
Test Conditions:
524
Microorganisms were obtained from Sittingbourne Sewage
Works (UK) and prepared according to standard test
protocols. C10-13 Alpha Olefin was added to the test
medium from a stock solution containing 2.4 g/L
emulsified in Dobane PT sulphonate. The final test
concentration was 2 mg olefins 103/L. Test bottles were
incubated at 21±1°C and the extent of biodegradation was
determined by measuring oxygen concentration in the
bottles at days 5, 15 and 28. Controls with no
microbial innoculum (control) and with medium plus
microbial innoculum only (blank) were included. Sodium
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DODECENE
ID: 25378-22-7
DATE: 28.04.2005
benzoate was used as a biodegradable substance to
demonstrate the activity of the microbial innoculum.
D.
Results:
Under these test conditions, 103 Olefin was oxidized to
54% of the theoretical oxygen demand by day 5 and 60-67%
by day 28 with no lag period. 89% of the possible
oxygen demand had been consumed in the bottles titrated
on day 15. Based on the 15-day results, the 10-day
window criterion for “readily biodegradable” appears to
have been met; however, the lower values found on day 28
confound the evaluation.
Reliability:
(2) Reliable with restrictions: Insufficient information
on kinetic of biodegradation or biodegradation of
reference substance.
Reference:
Turner, S.J., Watkinson, R.J., Shop (1985) Olefins 103:
An assessment of Ready Biodegradability, Sittingbourne,
Shell Research Limited, SBGR.85.106 (unpublished
report).
Other:
This study was included in the dossier for 1-dodecene at
SIAM 11. Additional information has been added.
Test Substance
Identity:
CAS No. 25378-22-7, Dodecene
Method
Method/guideline:
Estimated using the
3.10, BIOWIN v 4.00
Type:
Aerobic
computer
program
EPIWIN
v
Test Conditions:
Estimates use methods described by Howard et al., 1992;
Boethling et al., 1994; and Tunkel et al., 2000.
Estimates are based upon fragment constants that were
developed
using
multiple
linear
and
non-linear
regression analyses.
Results:
Linear model prediction: Biodegrades fast
Non-linear model prediction: Biodegrades fast
Ultimate biodegradation timeframe: Weeks
Primary biodegradation timeframe: Days
MITI linear model prediction: Biodegrades fast
MITI non-linear model prediction: Biodegrades fast
Reliability:
(2) Reliable with restriction:
Reference:
Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J.
Beaumann and N. Tirado (1994) Group contribution method
for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.
Results are estimated
Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M.
Meylan, A.E. Hueber, J.A. Beauman and M.E. Larosche
(1992) Predictive model for aerobic biodegradability
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developed from a file of evaluated biodegradation data.
Environ. Toxicol. Chem. 11:593-603.
Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and
H. Loonen (2000) Predicting ready biodegradability in
the MITI Test. Environ. Toxicol. Chem. (accepted for
publication)
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
3.5
BOD5, COD or ratio BOD5/COD
No data available
3.6.
Bioaccumulation
Test Substance
Identity:
CAS No. 25378-22-7, Dodecene
Method
Method:
BCF calculated value using the computer program EPIWIN, BCF v
2.15
Test Conditions:
Based on chemical structure and a Log Kow of 6.1 (estimated by
EPIWIN program using structure for 1-dodecene) using methods
described by Meylan et al., 1999. Formula used to make BCF
estimate: Log BCF = 0.77 log Kow – 0.70 + correction (alkyl
chains [8+ -CH2- groups] with a value of -1.5).
Results
Value:
Estimated Log BCF =
2.496 (BCF = 313.1)
Reliability:
(2)
Reference:
Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved
method for estimating bioconcentration / bioaccumulation
factor from octanol/water partition coefficient. Environ.
Toxicol. Chem. 18(4): 664-672
Reliable with restrictions. Value is calculated.
EPIWIN (2000b). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.
3.7
Additional Information
Sewage Treatment
Test Substance
Identity:
526
CAS No. 25378-22-7, Dodecene
UNEP PUBLICATIONS
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3. ENVIRONMENTAL FATE AND PATHWAYS
Test Method:
Input values:
GLP:
Test Medium:
Test Type:
Test Results:
Reference:
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
Calculated, EPIWIN STP Fugacity Model, predicted fate in
a wastewater treatment facility.
MW = 168.33; Henry’s LC = 1.96 atm-m3/mol; air-water
partition coefficient = 80.158; Log Kow = 6.1; biomass
to water partition coefficient = 251,786; temperature =
25°C
No
Secondary waste water treatment (water)
Aerobic
99.74 % removed from wastewater treatment
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
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4.1
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
Acute Toxicity to Fish
Test Substance
Identity:
CAS No. 68526-58-9; Alkenes, C11-13, C12 Rich
Method
Method/guideline: OECD 203
Test type:
Semi-static Fish Acute Toxicity Test
GLP:
Yes [X ] No [ ]
Year:
1995
Species/Strain:
Oncorhynchus mykiss (Rainbow trout)
Analytical Monitoring: Yes
Exposure period: 96 hours
Statistical methods:
No mortality occurred; therefore, statistical analysis
of the data was not warranted.
Test Conditions:
This test was conducted as a limit test, i.e., one test
material exposure solution was tested. The test solution was
prepared by adding the test substance, via syringe, to 19.5 L
of laboratory blend water in a 20 L glass carboy. The
solution was mixed for 24 hours with a vortex of <10%. Mixing
was performed using a magnetic stir plate and Teflon coated
stir bar at room temperature (approximately 22C). After
mixing, the solution was allowed to settle for one hour after
which the Water Accommodated Fraction (WAF) was siphoned from
the bottom of the mixing vessel through a siphon that was
placed in the carboy prior to adding the test material. Test
vessels were 4.0 L aspirator bottles that contained
approximately 4.5 L of test solution. Each vessel was sealed
with no headspace after 5 fish were added. Three replicates of
the test material loading were prepared. Approximately 80% of
each solution was renewed daily from a freshly prepared WAF.
The test material loading level was 86.0 mg/L. A control
containing no test material was included. The analytical
results were below the lowest quantitation standard (0.20
mg/L).
Test temperature was 16C. Lighting was 666 to 669 Lux with a
16-hr light and 8-hr dark cycle. Dissolved oxygen ranged from
9.0 to 9.8 mg/L for "new" solutions and 6.1 to 7.4 mg/L for
"old" solutions. The pH ranged from 7.6 to 8.3 for "new"
solutions and 7.3 to 7.9 for "old" solutions.
Fish supplied by Thomas Fish Co., Anderson,
CA, USA; age at test initiation = approximately 5 weeks; mean
wt. at test termination = 0.271 g; mean total length at test
termination = 3.1 cm; test loading = 0.32 g of fish/L. The
fish were slightly shorter than the guideline suggestion of
4.0 to 6.0 cm, which were purposely selected to help maintain
oxygen levels in the closed system. Fish size had no
significant effect on study outcome.
Results:
solubility.
96-hour LL0 = 86.0 mg/L based upon loading rates; LC50 >
Analytical method used was Headspace Gas Chromatography with
Flame Ionization Detection (GC-FID).
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Loading
Rate (mg/L)
Control
86.0
Measured
Conc. (mg/L)
ND
BD
Fish Total
Mortality (@96 hrs)*
0
0
* 15 fish added at test initiation
ND - not detected; the lowest analyzed standard was 0.20 mg/L
BD - below the lowest analyzed standard, 0.20 mg/L
Remarks:
The test material is not sufficiently water soluble to cause
mortality to rainbow trout in a 96-hour acute toxicity test.
Although the water solubility of this test material at a
loading of 86.0 mg/L was not established, the sum of its
components at this loading is likely to be less than 0.20 mg/L
because this was the lowest standard used in the analyses that
supported this study.
Reliability:
(1) Reliable without restrictions
Flag:
Key study for SIDS endpoint
References:
Exxon Biomedical Sciences, Inc. (1996) Fish, Acute Toxicity
Test. Study #119258. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).
4.2
Acute Toxicity to Aquatic Invertebrates (e.g. Daphnia)
No data available
4.3
Toxicity to Aquatic Plants (e.g. Algae)
Test Substance
Identity:
CAS No. 112-41-4, 1-Dodecene (>97%, Neraten®12)
Method
Method/guideline: No data
Test type:
static
GLP:
No
Year:
1997
Analytical Monitoring: No data
Species/Strain:
Planktonic freshwater green algae, Scenedesmus
subspicatus, from collection of autotrophic organisms of
the Botanical Institute of AV ČR.
Element basis:
10,000 cells per 1mL, area under the curve, exponential
growth rate
Exposure period: 72hrs
Statistical methods:
Inhibition of algae growth in % was calculated as
integral of biomass (area under growth curve) Iai. The terminal
inhibition evaluation was done by software Toxicita VÚV
Ostrava (1991). For calculation of EbC50, used approximation
function: multinominal 3.stage with a 95% confidence limit.
Test Conditions:
Algae inoculum was taken from an exponentially growing
culture, after a 3-day pre-cultivation. Cell density was
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measured immediately before the start of the test and the
necessary volume of inoculum, corresponding to 10,000 cells
per 1mL, was determined. Every concentration set had control
tests without tested material. Sensitivity of algae culture
and accuracy of the test execution was checked by testing of
standard material (potassium dichromate p.a.).
Test temperature range: 21-25°C, pH of solutions: 7.70.
Un-watered standard nutrient medium for algae cultivation,
prepared by mixing of reserve solutions A, B, C, D in volume
100,10,10,10 and complementing to 1L with distilled water:
Reserve solution A:
NH4Cl
1.5g
MgCl2.6H20
1.2g
CaCl2.2H20
1.8g
K2HPO4
0.16g
in 1L distilled water
Reserve solution B:
FeCl3 .6H20
80mg
Na2EDTA.2H20
100mg
in 1L distilled water
Reserve solution C:
H3BO3
185mg
415mg
MnCl2
ZnCl2
3mg
CoCl2.6H20
1.5mg
CuCl2.2H20
0.01mg
Na2Mo04.2H20
7mg
in 1L distilled water
Reserve solution D:
NaHCO3
50g
in 1L distilled water
Dilution water was obtained by dilution of un-watered nutrient
solution with water (1:10).
Equipment:
Agitator LT-2, pHmeter WTW-pH 539, fluor tube of universal white
light of range 6000-10000 lux, microscope, Burker’s computing
chamber, equipment for microfiltration, filters Synpor with pores
0.2um, bulbs, beakers, pipettes.
Duration of the test is 72hrs. The sample was taken and the
density of algae suspension was determined microscopically as
number of cells in 1mL every 24hrs.
Results:
Remarks:
EbL50 (0-72hrs)=15.4 mg/l (confidence limits: 14. 25-16.58)
ErL50 (0-72hrs) could not be determined
Base solution 0.0183g/l diluting water.
Preliminary test:
Thinning
ml/l
1000
500
Concentration
mg/l
18.3
9.15
Number of cells
0hr
10000
10000
Number of cells
72hrs
125000
156250
Base test I:
Thinning ml/l
Concentration mg/l
Number of cells/ml
(0hr)
Number of cells/ml
(72hrs)
Inhibition Iai %
530
1000 800
18.3 14.6
10000 10000
600
10.9
10000
400
7.3
10000
100
1.8
10000
181250
Control
10000
193750
200 100
Control
3.7
1.8
0
10000 10000 10000
18750 137500 143750 162500 181250 187500 206250
69.3
42.6
35.6
UNEP PUBLICATIONS
26.7
13.8
10.9
0
OECD SIDS
4. ECOTOXICITY
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
Inhibition Iui %
Base test II:
Thinning ml/l
Concentration mg/
Number of cells/ml
(0hr)
Number of cells/ml
(72hrs)
Inhibition Iai %
Inhibition Iui %
18.8
13.9
11.9
7.9
3.9
1000
18.3
10000
800
14.6
10000
600
10.9
10000
400
7.3
10000
200
3.7
10000
2.9
0
100 Control
1.8
0
10000 10000
125000 131250 143750 168750 175000 175000 200000
69.4
16
43.9
14
33.7
11
23.5
6
12.2
5
12.2
5
0
0
Reliability:
(3) Not reliable. Because this study cites an effect that was
seen above the water solubility limit, the results are
questionable.
References:
Research Institute of Organic Synthesis a.s (1997) Pardubice,
Czech Republic test Protocol No. 28/L (unpublished report).
4.4
Toxicity to Micro-organisms, e.g. Bacteria
No data available
4.5
Chronic Toxicity to Aquatic Organisms
A.
Chronic Toxicity to Fish
Test Substance:
CAS No. 25378-22-7, Dodecene
Method/Guideline:
Type (test type): 30-day Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000b)
Species:
Fish
Test Conditions:
The program uses structure-activity relationships (SARs)
to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 6.10, which was estimated by EPIWIN using the
structure for 1-dodecene.
Results:
Units/Value:
Estimated 30-day ChV = 4 µg/L
Flag:
Key study for SIDS endpoint
UNEP PUBLICATIONS
531
OECD SIDS
4. ECOTOXICITY
B.
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
Reliability:
(2) Reliable with restrictions. The result is
calculated data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
Chronic Toxicity to Aquatic Invertebrates
Test Substance:
CAS No. 25378-22-7, Dodecene
Method/Guideline:
Type (test type): 16-day EC50 value calculated using the computer program
ECOSAR, version 0.99g included in the EPI Suite
software, v 3.11 (EPIWIN, 2000b)
Species:
Daphnia magna
Test Conditions:
The program uses structure-activity relationships (SARs)
to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 6.10, which was estimated by EPIWIN using the
structure for 1-dodecene.
Results:
Units/Value:
Estimated 16-day EC50 = 8 µg/L
Flag:
Key study for SIDS endpoint
Reliability:
(2) Reliable with restrictions. The result is
calculated data.
Reference:
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.
4.6
Toxicity to Terrestrial Organisms
A.
Toxicity to Terrestrial Plants.
Test Substance:
CAS No. 25378-22-7, Dodecene
Method/Guideline:
532
UNEP PUBLICATIONS
OECD SIDS
4. ECOTOXICITY
DODECENE
ID: 25378-22-7
DATE: 28.04.2005
Type (test type): 96-hr Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000b)
Species:
Green algae
Test Conditions:
The program uses structure-activity relationships (SARs)
to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equat