Potassium sorbate
Section A3
Physical and Chemical Properties of Active Substance
Subsectjon
(Aonex point)
Method/ Guideline
3.1
3.1. I
Purity!
Specification
Results
Specification
as given in
Section A2
The substance has no
GLP
Reliability
Referen t
Melting point
EC method A. I
(92169/EEC)
OECD guideline
Differential
scanning
calorimetry (DSC)
and capi llary
method
Boiling point
EC method A.2
(92169/EEC)
OECD guideline
103
c:
Specification
as given in
Section A2
scanning
calorimetry (DSC)
me lting point at
atmospheric pressure
(10 13.3 hPa):
decomposition occurs
before melting at
approx. 205 °C (also
see A3 . JO below).
T he substance has no
boiling point at
annospheric pressure
(10133 hPa):
decomposition occurs
Different ial
before boi ling
c:
y
ooly
A3.l.1/0l j
Potassium!sorbaie powderMelting p~int/ melting
range. boqing pointi boiling,
range. vappur ressure.
y
Official
us~
(YIN)
Melting point,
boiling point,
relative density
(llA3. l)
102
3.1.2
Remarks/Justification
Dossier arf,endment February 2005
Page 1of26
Cross-refJ ence:
A3.l.l/OI
Potassium sorbate
Dossier anliendment February 2005
Page 2 of26
Section A3
Physical and Chemical Properties of Active Substnncc
Subsection
(Annex point)
Method/ Guideline
3.1.3
Oulk density/
relative density
EC method A.3
(92/69/EEC)
OECD guideline
Purity/
Specificat ion
Results
Specification
as given in
Section A2
DR, x 1.36
Remarks/Justification
CLP
Relia bility
Referen~
only
y
AJ. J .J/01;
y
Cross-reference;
Test temperature"" 23 .5
oc
109
Air comparison
pycnometer
3.2
Vapour
pressure
(llA3.2)
EC method A.4
(92/69/EEC)
OECD guideline
c:
Specification
as given in
Section A2
The vapour pressure
remained below tbe
detection limit oflo·5
hPa in the temperarure
range between 25 an
c:
The following
conservative estimates
104
Effusion method:
Vapour pressure
balance
The substance was
additionally
degassed at 50 ± 5
°C under a vacuum
of 10·~ hPa for 16
hours.
148 °C.
are reported:
p (20 °C) ~ 1.0 x 10·1
hPa
p (25 °C) ~ I .0 " I 0·7
hPa
p (50 °C) ~ 1.0 ... J0- 7
hPa
Official
USC
(Yt'N)
A3. 1.1/01)
Potassium sorbate
Dossier a · endment February 2005
Page 3 of 26
Section A3
Physical and Chemical Properties.of Active Substance
Subsection
(Annex point)
Method/ Guideline
3.2.l
Henry's Law
Constant
Purity/
Resu lts
S pecification
a) Calculation based Not applicable
on measured vapour (calculation)
pressure and water
solubility
b) QSAR estimate
using program
Henrywin
Remarks/Justification
GL P Reliability
Rcfercue,e
US4'
( YIN)
a) experim entally
based:
H .. 2.77 x I 0-9 Pa x
m~/moJ
b) QSAR estimates:
H= 5.72 x 10-5 Pa x
rn~/rnol
(bond contributions)
H = 4.99 x10-6 Pa x
The estimate based on
n.a.
experimental data is
considered to be more
reliable since the QSAR
model is unable to take into
account the ionic nature of
the test substance in
solution.
only
A3.2.l/Oll
x
m31mol
(group contributions)
3.3
3.3 .1
Appearance
(lJA3.3)
Physical state
Visual inspection
Specification
as given in
Section A2
c:
Solid
Crystalline powder
y
Official
Cross-refop:m:c:
AJ.l.1 /01:
Potassium sorbate
Dossier amendment February 2005
Page 4 of 26
Section A3
Physical a od Chemical Properties of Active Substa nce
Subsection
(Annex point)
Method/ Gu ideline
3.3.2
Visual inspection
3.3.3
Colour
Odow·
Olfaccory
assessment
P urity/
S pecification
R esults
Specification
as given in
Section A2
Wl1ite
Specification
as given in
Section A2
Odourless
no specific
batch tested
R emarks/J ustification
C LP Reliability
(YIN)
y
Official
Referen
use
only
Cross-ref~encc:
I
A3. l.l /01
N
Cross-reference:
Material safety data sheet
Potassium sorbate
Section A3
Physical and C hemical Properties of Active S ubstance
Subsection
(Annex point)
Method/ Guideline
3.4
Purity/
Results
Remarks/Justification
Specification
Dossier an}endment February 2005
1
Page 5of26
GLP Reliability
(YIN)
I
Referenc~
only
Absorption
spectra
(UA3.4)
UVN IS
OECD IOI
y
Specification
as given in
Section A2
Determination of the UVVIS spec m of Potassium
sorbatc.
IR (Sorbic
acid)
Guideline: not
applicab le
Method: Infrared
spectroscopy
...
Specification:
Sorbic acid
A g1aphical
presentation of the IR
spectrum is given in
Figure A3- 4.
The spectrum is
considered to be in
accordance with the
proposed structure of
the test substance.
This IR spectrum was
recorded for Sorbic acid.
Since the Sorbate anion is
the determinant of the
spectral properties of
Sorbic acid as well as of
Potassium sorbate. the
submined spectrum is also
considered to be
representative for
Potassium sorbate.
However, for the sake of
completeness a non-G LP
spectrum of Potassium
sorbate from a public
source is also provided
below.
y
Official
use
A3.4.2/01 ~
Determinl on of the JR
Potassium sorbate
Dossier amendment February 2005
Page 6of 26
Section A3
Physical and Chemical Properties of Active Substance
Subsection
(Annex point)
Method/ Guideline
Remarks/Justification
Purity/
Specification
Results
Guideline: not
applicable
Method: Infrared
spectroscopy_ KBr
disc
Specification:
nol stated
Batch no.: nor
stated
Expiry date:
not stated
Puriry: not
stated
A graphical
presentation of the IR
spectrum is given in
Figure A3- 5.
H-NMR (I)
Guideline: not
applicable
Method: 1H-NMR
spectroscopy
Specification :
Sorbic acid
..
A graphica.1
The 1 H-NMR spectrum was y
presentation of the 'H- recorded for Sorbic acid. A
NMR spectrum is given correspondi.ng spectrum for
in Figure A3- 6.
Potas~ium sorbate will be
in due course. as
submitted
The spectrum is
also
stated
in a separate
considered to be in
justification
fonn.
accordance with the
proposed structure of
the test substance.
H-NMR(2)
Guideline: not
applicable
Method: 1H-NMR
spectroscopy
SpecificatioTI
as given in
Section A2
A graphical
presentation of the 1HNMR spectrum is given
in Figure A3- 7 .
The spectrum is
considered to be in
accordance with the
proposed structure of
the test substance.
IR (Potassium
sorbate)
1
1
..
GLP
Reliability
Reference
(YIN)
N
N
Onicial
use
only
0
(Reliability not
assignable due
lack of
documentation)
A3.4.2 /02·
Anonymo;:J2004) IR
spectrum
r disc).
Potassiumlsorbace.
http://www.ais1.go.jp/
RIODB/SIDBS/sdbs/owa/
sdbs_sea.cre_frame_disp?
~dbsno"'7S2
(accessed
I
June 25. 2004).
2
Potassium sorbate.
lot # 9972! identification
with NM~ s ectroscopy.
Potassium sorbate
Dossier amendment February 2005
P age 7 of 26
Section A3
Physical and Chemical Properties of Active Substance
Subsection
(Annex point)
Mel bod/ Guideline
1
' C-NMR
MS
Purity/
S pecification
Results
applicable
Method: '-'C-NMR
spectroscopy
..
A graphical
presentation of the 1;CNMR spectrum is given
in Figure A3- 8.
The spectrum is
considered to be in
accordance with the
proposed structure of
the test substance.
Guideline: not
applicable
Method: high
resolution mass
spectroscopy
..
A graphical
Guideline: not
Specification:
Sorbic acid
Specification :
Sorbic acid
Remarks/Justification
GLP
Reliability
Refereoc.e
(YIN)
The 13C-NMRspectrum
was recorded for Sorbic
acid. Since the Sorbate
anion is the determinant of
the spectral properties of
Sorbic acid as well as of
Potassium sorbate, the
submitted spectrum is also
considered to be
representative for
Potassium sorbate.
y
The mass spectrum was
presentation of the mass recorded for Sorbic acid.
spectrum is given in
Since the Sorbate anion is
Figure A3- 9.
the determinant of the
spectral properties of
The spectrum is
Sorbic acid as well as of
considered to be in
Potassium sorbate. rhe
accordance with the
submitted
spectrum is also
proposed structure of
considered
to be
the test substance.
representative for
Potassium sorbate.
y
A3.4.J/02/
Determination of the uc.
NMR s cqtrum ofSorbic
acid.
/\3.4.4/0·1
De1enninr on ofU1e
GC/MS a al sis of'Sorbic
Offi ci al
use
only
Dossier a endment February 2005
Potassium sorbate
Page 8 of 26
Section A3
Physical and Chemical Properties of Active Substance
Subsection
(Annex poinl)
Metbod/ Guideline
3.5
Solu bility in
water
(JJA3.5)
EC method A.6
(92169/EC)
OECD guideline
105
Purity/
Specification
Specification
as given in
Section A2
Flask method
Conce ntrations of
the test substance
were determined by
HPLC analysis:
linearity of detector
response is ensured
(R > 0 .999).
3.6
Dissociation
constant
(-)
OECD 112
Spectrophotometric
method
Results
Remarks/Justification
GLP
Reliability
The solubility varied in
a range between I .5 and
563 g/I. depending on
pH and temperature.
More detai ls are given
in Table A3- I.
y
only
A3.5/01:
p
pKa ~ 4.69 :!:: 0.03 (SD)
I
Wate r
solubility of Potassium
sorbate. I
The solubil ity at pH 4
and 7 had to be
extrapolated because an
experimental
determination was
impossible due to the
depletion of buffe r
capacity by the
satura ted solution of
Potassium sorbate.
Spec ification
as given in
Section A2
Offi ci:ll
use
Referenq
(ViN)
y
A.3.6/01 :
Potassium sorbate
SectionA3
Physical and C hemical Prop e rties of Active Substance
Subsection
(Annex point)
Method/ Guideline
3.7
Adapted EC A.6 and Specification
OECD I 05, flask
as given in
Section A2
method
Solubility in
organic
solvents,
includ ing the
effect of
temperature on
solubility
(lllA3.I)
Purity/
Specification
..
Results
Remarks/Justifica tion
Methanol:
Dossier a endmen1 February 2005
Page 9of26
GLP Reliability
(YIN)
Referenc
y
A3. 7/0 1:
I 0 "C: 79.4 ± 0.3 mg/I
20 °C: 79.0± 0.8 mg/I
30 °C: 79.3 ± 0.8 mg/I
I
Solubili ty [ f Potassium
sorbate in
p-Xylene:
I 0 °C: 30.3 ± 0.1 mg/I
20 °C: 30.5 ± 0.1 mg/I
30 °C: 30.6 ± 0.1 mg/I
T he solubility of
Potassium sorbatc in
organic solvents was
essentially independent
of temperature.
3.8
Solul)ility in
organic solvents
used in b.p. and
identity of
relevant
breakdown
products
(llTA3.2)
3.9
Partition
coefficient noctanol/water
(llA3.6)
Data not considered to be
required. since the biocidal
product is an aqueous
solution contai ni ng no
further (organic) solvents.
EC method A.8
- HPLC method Linearity of
analytical system
ensured:
r: (pH 2.5) = 0.98 1:
/(pH 6.5) = 0.980
for Jog P,.,,. vs. log k ·
99.9 % Sorbic
acid
(by ti tration)
Jog P.,,,. (pH= 2.5) "'
1.32
log P0 ,,. (pH = 6.5) = 1.72
Temperature: 20 ± 2 °C
fatrapolation fro m Sorbic
acid is not considered to be
res tricted in any way since
the Sorbate anion is the
moiety of interest and the
ra tio of tree acid vs.
dissociated anion entirely
depends on pH.
y
A3.9/0l :
Partition
coefficien ot' Sorbic acid
(HPLC m thod).
Official
use
only
Potassium sorbate
Dossier anliendment February 2005
Page 10 of 26
Section A3
Physical and Chemical Properties of Active Substance
S ubsection
(Annex point)
Method/ Guideline
3.10
Thermal
stability,
id entity of
relevant
breakdown
products
OECD 113
Differentia l
scann ing
calorimetry
( JIA3.7)
3. 11
Flammability,
including autoflammability
and identity of
combustion
products
(llA3.8)
Flam.mabi Iity:
EC method A. I0
Auto· flamm abiliry:
EC method A .16
Purity/
Spccificalion
Resu lts
Speci fication
as given i.n
Section A2
An endothermic effect
(transformation
process) was observed
in the temperature range
150- 175 °C, and an
exothermal effect in the
temperature range 205-
c:
..
Specification
as given in
Section A2
Remarks/Jus1ificat ion
GLP
Reliability
Reference
y
011ly
Cross-refc ence:
A3. l.l /O I !
320 °C.
Not highly flammable
Self-ignition
temperature: 178 °C
y
Official
ll5C
(YIN)
=i.
Potassium
sorbatc - lammobility
(solids) anii autoOammabillty (solids detenninajion of relative
self-i nili n u:m crature).
Potassium sorbate
Section A3
Dossier amendment February 2005
Page 11 of 26
Physical and Chemical Properties of Active S ubstance
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Subsection
(Annex point)
Method/ G uideline
Purity/
Specification
Results
Remarks/J ustificatioo
CLP Reliability
(YIN)
Referenc-e
Official
USC
only
Flammability
in contact with
water
Experimental data are not
submitted since these are
considered to be
scientifically unjustified:
From the structural formula
and the composition of the
substance it can be safel y
concluded that the
substance docs not evolve
any nammablc gases in
contact with water or
humid air.
This justification is also
given in a separate file.
x
Pyrophoric
properties
Experimental data are not
subm itted since these arc
considered to be
scienti flea lly unjusti tied:
From the structural formu la
and the composition of the
substance it can be safely
concluded that the
substance is stable in air at
room temperature and is
x
not pryophoric.
This justification is also
given in a separate file.
Dossier a~endment February 2005
Potassium sorbate
Page 12 of26
Section A3
Physical and Chemical Properties of Active Substance
Subsection
(Annex point)
Method/ Guideline
Flash-point
(llA3.9)
3.13
Surface tension
EC method A.5.
(IIA3. t0)
OECD 115
Viscosity
(-)
Resu lts
Remarks/Justification
GLP
Reliability
Reference
( Y/N)
Specification
as given in
Section A2
..
= 72.6 mN/ m at 20°C
Potassium sorbate is
therefore not a surface
active substance.
(1
Test cone. = 1 g/I
Official
use
on ly
x
Not applicable.
A test on this endpoint
must be provided for
liquids whose vapours can
be ignited; this does not
apply to Potassium sorbate,
which is a solid with low
vapour pressure.
3.12
3.14
Purity/
Specification
y
A3.J3/0 1:l
• • • • • • Surface
tension ofroiassium
sorbate. Report No.
2003 1475.lQI -PCST.
Not applicable.
Data are not considered to
be required since the active
substance is solid.
x
Potassium sorbate
Section A3
Pbysi~al
Su bsection
(Annu point)
Method/ Guideline
3.15
Mode l calculation
(software mode l
CHETAH 7 .2)
Explosive
pro perties
(llA3.lf)
Dossier alendment February 2005
Page 13 of 26
and Chemical Properties of Active Substance
Purity/
Specification
Results
Model
calculation
conducted for
Sorbic acid,
but
extra polation
to Potassium
sorbate is no1
considered to
be restricted in
any way.
Maximum heat of
decomposit ion "= -479
callg
Remarks/Justifica lion
GLP Re liability
(YIN)
In EC method A.1 4, it is
n. a.
exp ressly mentioned that
an experimen tal
Difference between heat detenn ination of the
of combustion and heat explosivity of a compou nd
is not required, if available
of decomposition = 1hennodynamic
data
5904 cal/g
(reaction e nthalpies) and/or
Oxygen balance = - 200
the absence of certain
%
reactive groups in the
In conclus.ion, structural structural fonnu la indicate
aspects a nd estimated
that the substance wi ll not
thennody nam ic
decompose violently under
properties indicated that fonnation of gases or
Sorbic acid lacks
release of energy (and thus
explosive properties.
does not pose a risk for
explosivity). Thus , the
conduc t of further
experimental verification is
not considered to be
req uired.
Referencl
I
A3.IS/ 01:
Ollici»I
u~e
only
x
Dossier amendment February 2005
Potassium sorbate
Page 14 of 26
Section A3
Physical and Chemical Properties of Active Substance
Subsection
(Annex point)
Mel hod/ Guideline
3.16
3. 17
Oxidizing
properties
Model calcula1ion
(software model
(11A3. 1Z)
CHETAH 7.2)
Remarks/J ustificat ion
GLP Relia bility
(YIN)
Purity/
Specification
Results
Model
calculation
conducted for
Sorbic acid,
but
extrapolation
to Potassium
sorbate is not
considered to
be restricted in
any way.
In EC method A.1 7, it is
n. a.
expressly mentioned that
an experimental
determination of the
oxidising properties of a
compound is not required if
available thennodynamic
data and the absence of
%
certa in reactive groups in
the structural form ula
In conclusion, srructural indicate that the substance
aspects and estimated
will not react exothermally
thermodynamic
wilh combustible material.
properties indicate that Thus, the conduct of
Sorbic acid is more of a further experimental
combustible nature.
verification is not
than considered to
considered to be required.
possess oxidising
properties.
Maximum heat of
decomposition = -479
calfg
Difference between heat
of combustion and heat
of decomposition = 5904 cal/g
Oxygen balance = - 200
Reacth•ity
Polyelhylene has been used
as lining material for
potassium sorbate for
decades. Polyethylene is
inert to potassium sorbate
and vice versa.
towards
container
material
(IIA3. 13)
EvaJuation b:y Competent Authorities
Referen*
Offici al
use
only
A3.16/0l :
x
Potassium sorbate
Dossier amendment February 2005
Page 15 of 26
Section A3
Physical and Cbemical Properties of Active Substance
Subsection
(Annex point)
Method/ Guideline
Purity/
Specification
Results
Remarks/Justification
Use separate "evaluation boxes" to provide transparency as
to the corrunents and views submitted
EVALUATION BY RAPPORTEUR MEMBER STATE
Date
3.2.1
--
3.1 I, ECC Al2, ECC Al3;
3.12, ECC A9;
3.14
3.15
3.16
Reliability
I
Acceptability
C0l'v1MENTS FROM .. .
GLP
(YIN)
Reliability
Reference
Omcial
use
unly
Potassium sorbate
Dossier arhendment February 2005
Page 16 of 26
Section A3
Physical and Chemical Properties of Active Substance
S ubsection
(Annex point)
Method/ Guideline
Date
Purity/
Specificalion
Results
Rema rksiJustifica lion
Give date of comments submifled
GLP Reliability
(YIN)
Referen~
R eliability
Discuss {(deviating(rom view ofrapporteur member state
Acceptability
Discuss if deviatingfrom view ofrapporteur member state
Remarks
use
only
'
Discuss additional relevant discrepancies referring to the (sub)heading numbers and to applicant's sumk ary and
conclusion.
Discuss f{ deviating.from view ofrapporteur member state
Discuss if deviating from view o.frapporteur member state
Official
Dossier a11~endment February 2005
Potassium sorbate
Page 17 of 26
Table A3- I: Solubili1y of Potassium sorbate in water at different pH values and temperatures.
Temperature 1°CI
Solubility lg/ll
pH
10
20
30
4 {1)
7Pl
9
J.50
J.95
2.85
539
543
563
539
(3)
543
563
calculated from water solubility ofSorbic
acid under 1i1ra1ion with sodium base
m c.xrr.apolatcd from experimentally
detc:rmincd values at pl I = 9
CIJ
Pi experimentally delermined average values
Potassium sorbate
\
Dossier amendment February 2005
Page 18 of 26
Acidic (pH 1.2)
4,0000
3.5000
3.oooo
I
2.5000
j
L.~ )
l
l.!1000
I
t .0000
0.5000
-
~ .l)C()Q
lOO
AOO
soo
Wavetength {n m)
f igu re A3- I : UVN lS spectru m of Potassi um sorbate at pH 1.2.
GOO
700
eoo
Potassium sorbate
Neutral (pH 7.1)
4,0000
3,5-000 .
3,0000
2,SCCv
c
I
.!!
i.oooo
1
"o.50:-0 ~
·~~t
0.5000
!
00000
ioo
300
• 00
~00
Wav1l1n91h (nm)
Figure A3- 2: UVN IS spectrum of Potassium sorbate at pli 7. I.
600
;oo
800
Dossier a~endment February 2005
Page 19 of 26
Potassium sorbate
Dossier a endment February 2005
Page 20 of 26
Basic (pH 12.9)
4,0000
~I\
3.5000
3,0000
2SOOO
c
0
J
20000
.0
<(
1 5000
1,0000
0,5000
0.0000
j
200
300
400
500
Wavelengttl (nm1
Figure A3- 3: UVNIS spectrum of Potassium sorbate at pH 12.9.
600
700
eoo
Potassium sorbate
.
!
45- l-
% TranSIT)iSsiori
40
~-.- ~-+-----~~---+- -----'------------..;.-~----t+---,A'-!>--1~
.
I
I
: i
35 ~-r
:
30 -.
I
iI
!'
- -----1--
~i--+-----+--~-~----4-- ·-----+----~---;...,
1
15--
3000
2000
1000
Wave number [cm·')
Figure A3- 4: IR spectrum ofSorbic acid.
I
Dossier ariiendment February 2005
Page 21 of 26
Potassium sorbate
HIT-N0-1103 ISCDRE=
(
1 I SDBS-N 0=752
] IR-NrDA-6 5881 :
Dossier a+endment February 2005
Page 22 of26
KBR DISC
POTASSIUM 2.4-HEXRDIEN OAlE
C5H 7K0 2
"'
....
i
:: so
c
i
l!
0-+-..--~-.- -.---.-.,-,.-..--.-~~~..--.,....--~--.-~.---~~--,-~~~.----.-~--.-~..--~~~~.---~~~~~~.--~~~
!QOO
4000
3024
n
300.3
2%3
2'330
Sl
2913
2878
2861
'??
85
66
81
n
164 9
1620
67
49
1604
1693
55
1560
1434
14 2~
S•I
t
60
&O
1500
200U
1000
500
MAVEtiUMBElll -11
1'1 2 1
68
1401
1390
1970
1n9
1207
1146
12
34
72
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Figure A3- 5: IR spectrum of Potassium sorbate.
79
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Dossier a~endmenl February 2005
Page 23 of 26
Potassium sorbate
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Potassium sorbate
Dossier artlendment February 2005
Page 25 or 26
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Dossier ar1iendment February 2005
Page 26 of 26
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Potassium sorbate
Section A3.4
Dossier amendment February 2005
Page 1 of 2
Absorption spectra
Annex Point llA3.4
JUSTIFICATION FOR NON-SUBMISSION OF DATA
Other existing data !XI
Limited exposure.
I I
Detailed justification:
Technically not feasible IX I
Other justification
Scientifically unjustified IXI
I I
lR, DC-NMR and MS spectra were submitted for Sorbic acid instead of
Potassium sorbate, with the fo llowing justification:
13
Genera/justification for lR. C-NMR aod MS:
(i) In the environment as we ll as in biological media, the Sorbate anion
is the active principle, which can oot adequately be characterised
spectroscopically for obvious reasons, which is why it is felt that the
spectral characterisation of Sorbic acid should be sufficient.
(ii) Fu11her, since the "Sorbate moiety" is the sole determinant of the
spectral properties of both Sorbic acid and of Potassium sorbate, the
submitted spectra on Sorbic acid are considered to be also representative
for Potassium sorbate. SubstiMion of the proton of Sorbic acid by a
Potassium cation is not feas ibly expected to alter the spectral properties
regarding IR and 13C-NMR to any relevant e·xtent. However, concerning
the 1H-NMR specn·um. differences between Potassium sorbate and
Sorbic acid are inevitably to be expected due to the replacement of
protons by potassium cations, which is why this type of data is provided
in the cun-ent dossier amendment.
(iii) Regarding the characterisation of the active substance (purity,
impurities), the determination of specific spectra (IR , 13C-N M R) is
considered ro be itTelevant: Both substances are produced according to
specifications of EU food law (Directive 96177/EC), ful fi lling an active
ingredient content of> 99 % (w/w). The impurity profile is nearly
identical for both Sorbic acid and Potassium sorbate. The only relevant
additional impurity of Potassium sorbate is Sorbic acid itself, since
Potassium sorbate is manufactured from food-grade Sorbic ac id by
neutralisation witb Potassium hydroxide (see Section 2 of this dossier).
Thus, any impurities of concern are obviously not to be expected.
Specific additional justifications regarding particular spectra:
JR: The standard metbod for sample preparation for recording an IR
spectrum is powdering the test substance with Potassium bromide. This
method was also followed in the case of Sorbic acid (see A3.4.2/0 I). In
vi.ew of this technical peculiarity, the determination ofa specific IR
spectrum for Potassium sorbate is not considered to be feasible since the
presence of Potassium in the KB r spectrnl matrix will obviously overlay
any Potassium that is introduced add itionally through replac ing Sorbic
acid by Potassium sorbate. II may therefore be expected that the two
spectra would be i11distinguishable. Thus, no fw1her gain of information
is expected from the OLP-compliant recording of an JR spectrum for
Potassium sorbate. An lR-specn·um of Potassium sorbate from a public
source is nevei1heless provided in tbe dossier.
NMR: A 1H-NMR spectrum is provided in sectio.n A3 of the current
dossier amendment. With regard to the •>c-NMR spectrum, however,
the spectral properties are solely determ ined by the Sorbate aniou in any
case, since oo.ly iufJuenced by the a1Tangement of the C-aloms.
Consequently, Potassium sorbate and Sorbic acid will be
indistinguishable due to the structural identity of the spectroscopically
relevant moiety. Thus, no furth er gain of information is expected from
OfficiAI
use only
Pota ssium sorbate
Dossier amendment February 2005
Page 2 of 2
Section A3.4
Absorption spectra
Ann ex Point IJA3.4
the recording of a 13 C-NMR spectrum for Potassium sorbate.
MS: The determinatiou of a mass speco·um requires vapourisation and
ionisation of the test substauce. The absence of a boiling point and a
melting point, bur rather a decomposition starting at approx. 200 °C in
Potassium sorbate provides compelling evidence that !he canduct of
mass spectrornetiy is teclmically not feasible for this substance.
In conclusion, apa1t from the 1H-NM R spectrum, the determination of
speccra specifically for Potassium sorbate is either scientifically
unjustified or technically not feasible . Thus. the subJllission of such
spectra is not considered to be required.
Evaluation by Competent Authorities
Use separate ''evaluation boxes" to provide transparency as
to the comments and views submitted
EVALUATION BY RAPPORTEUR MEMBER STATE(*)
Date
Evaluation of a pplican t's
justification
Conclusion
Remarks
COMM ENTS FROM ...
Date
Evaluation of 11 pplicant's
j11stific11tion
Conclusion
Remarks
Sorbic acid
March 2004
Page 1 of 1
Section A3.11
Annex Poi.of llA3.8
Flammability, including auto-flammability and identity
of combustion products
- Flammability in contact with water - Pyrophoric properties -
JUSTfFICATTON FOR NON-SUBMISSION OF DATA
Other existing data
Techn·ically not fea.sible I I
Scientifically unjustified I I
Limited exposure
Other justification I I
Octa i led justification:
Experimental data are not submitted si.nce these are considered to be
scientifically unjustified:
Flammability in contact with water:
From the structural formula and the composition of the substance it can
be safely concluded that the substance does not evolve any flammable
gases io contact with water or humid air.
Pyrophoric properties:
From the structural formula and composition of the substance it can be
concluded that the substance is stable at room temperanire air an is not
pyrophoric.
Undertal<lng of intended
data submission
I I
EvaluatiO'n by Com:petent Authorities
Use separate "evaluation boxes" to provide transparency as
to the comments and views submitted
~~~~~~~~~~-.--~~~~
EVALUATION BY RAPPORTEUR MEMBER STATE (*)
Date
Evaluation of applicant's
j us ti flea ti on
Conclusion
Remarks
COMMENTS FROM ...
Date
E..-aluation of applicant's
justification
Conclusion
Remarks
Official
U!C
only