Compound
Parameter
Phenyloctane and Isomers
(read-across from Ethylbenzene)
Factsheet
Note
Comments
Value / descriptor
EU-LCI value
1
Mass/volume [µg/m³]
1100
EU-LCI status
2
Draft / Final
Year when the EU-LCI value has been
issued
Final
EU-LCI Value and Status
EU-LCI year of issue
3
2013
General Information
CLP-INDEX-Nr.
(Not in Annex IV of CLP
Regulation 1272/2008)
218-582-1
4
INDEX
EC-Nr.
5
EINECS – ELINCS - NLP
CAS-Nr.
6
Chemical Abstract Service number
2189-60-8
Harmonised CLP classification
7
Human Health Risk related classification
Not harmonized
Molar mass
8
[g/mol]
190.32
9
Critical study with lowest relevant effect
level
Read across compound
10
Where applicable
Species
11
rat,… human
Route/type of study
12
Inhalation, oral feed, …
Study length
13
Days, subchronic, chronic
Exposure duration
14
Hrs/day, days/week
Critical endpoint
15
Effect(s), site of
16
LOAEC*L, NOAEC*L, NOEC*L,
Benchmark dose, ….
EU-LCI for Ethylbenzene
POD Value
17
[mg/m³] or [ppm]
0.860 mg/m³ and 0.197 ppm
Assessment Factors (AF)
18
Key Data / Database
Key study, Author(s), Year
Point of departure (POD)
Adjustment for exposure
duration
AF
Study Length
Route-to-route extrapolation
factor
AF
Dose-response
19
20
21
22 a
22 b
Interspecies differences
Intraspecies differences
AF (sensitive population)
Other adjustment factors
Quality of whole database
Study exposure
hrs/day, days/week
sa sc c
(R8-5)
Reliability of dose-response,
LOAEL  NOAEL
Severity of effect (R 8-6d)
23 a
Allometric
Metabolic rate (R8-3)
23 b
Kinetic + dynamic
24
Kinetic + dynamic
Worker - General population
25
Children or other sensitive groups
26
Completeness and consistency
Reliability of alternative data (R8-6 d,e)
Ethylbenzene
Result
Summary of assessment
factors
POD/TAF
27
28
Total Assessment Factor (TAF)
Calculated value (µg/m3 and ppb)
Molar adjustment factor
29
Used in read-across
1.264
Rounded value
30
[µg/m3]
1100
Additional Comments
31
Rationale Section
32
Rationale for read-across

Data poor compound: no adequate toxicological data for phenyl octane (and isomers); de novo derivation of
phenyl octane not possible; and thus, read-across from other compounds was applied, and justified in this
annex.

Read-across candidate compounds for starting value: within the chemical class of ‘saturated aromatic
hydrocarbons’ ethylbenzene is the closest homologue with an EU-LCI value; phenyl octane having additional
(CH2)6 groups in the aliphatic chain compared to ethylbenzene. EU-LCI value for ethylbenzene: 197 ppb.
Chemical structure, molecular weight of phenyl octane and ethylbenzene are listed in below table:
Compound
Structure
Phenyl octane and
isomers
MW
[g/mol]
EU-LCI value
190.32
Ethylbenzene
106.17
H 3C
850 µg/m²
(de novo protocol)Unrounded value: 860.6 µg/m³ or
197 ppb

Toxicological critical endpoints for homologue compounds:
Ethylbenzene: ototoxicity, assuming the critical endpoint for phenyl octane is ototoxicity.

The key assumption underlying the read-across of the EU-LCI value from ethylbenzene to phenyl octane is
that both compounds have the same critical endpoint (ototoxicity) and that this endpoint is caused by the
common functional group (and not by the additional CH2 groups).

The cut-off rule on the molar adjustment factor is applicable: difference in change length between the two
homologue compounds is larger than two CH2 groups per aliphatic chain.

Thus after applying the MW conversion molar weight conversion (at 23°C and 1.013 atm) and applying the
cut-off rule: EU LCI phenyl octane= 1087.0 µg/m³  to be rounded to 1100 µg/m³.