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EC number: 619-220-9 | CAS number: 96499-68-2
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 01 - 02 Feb 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- April 13, 2004
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Dodecanoic acid, monoester with oxybis[propanediol]
- EC Number:
- 619-220-9
- Cas Number:
- 96499-68-2
- Molecular formula:
- not applicable, the substance is UVCB
- IUPAC Name:
- Dodecanoic acid, monoester with oxybis[propanediol]
Constituent 1
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- < 0.3
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not measured
- Type:
- log Pow
- Partition coefficient:
- 2.6
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not measured
- Type:
- log Pow
- Partition coefficient:
- 2.9
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not measured
- Type:
- log Pow
- Partition coefficient:
- 3.5
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not measured
- Type:
- log Pow
- Partition coefficient:
- 4.6
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not measured
- Type:
- log Pow
- Partition coefficient:
- 5.4
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not measured
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- Temp.:
- 25 °C
- Remarks on result:
- other: pH not measured
- Details on results:
- The substance is UVCB. The HPLC results showed that the components are characterized by different partition coefficient values.
Any other information on results incl. tables
The calibration results obtained for the reference item are summarized in the following table.
Reference item |
tR |
k |
logk |
log Pow |
|
Thiourea (dead time) |
a |
1.90 |
t0 = 1.91 |
||
b |
1.91 |
||||
2-Butanone |
a |
2.54 |
0.333 |
-0.477 |
0.3 |
b |
2.55 |
0.339 |
-0.470 |
0.3 |
|
Acetophenone |
a |
3.14 |
0.648 |
-0.188 |
1.7 |
b |
3.16 |
0.659 |
-0.181 |
1.7 |
|
Methyl benzoate |
a |
3.71 |
0.948 |
-0.023 |
2.1 |
b |
3.72 |
0.953 |
-0.021 |
2.1 |
|
Isopropylbenzene |
a |
7.46 |
2.916 |
0.465 |
3.7 |
b |
7.48 |
2.927 |
0.466 |
3.7 |
|
n-Buthylbenzene |
a |
10.41 |
4.465 |
0.650 |
4.6 |
b |
10.42 |
4.470 |
0.650 |
4.6 |
|
DDT |
a |
21.64 |
10.360 |
1.015 |
6.5 |
b |
21.66 |
10.370 |
1.016 |
6.5 |
|
(a, b: individual sample)
The following log Pow regression equation was obtained from the calibration:
log Pow = 3.953 * log k + 2.194
r = 0.994
The results of the log Pow determination for the test item are summarized in the following table.
Test item |
tR |
k |
log k |
log Pow |
Average log Pow |
Peak 1-a |
1.93 |
- |
- |
<0.3 |
<0.3 |
Peak 1-b |
1.93 |
- |
- |
<0.3 |
|
Peak 2-a |
4.34 |
1.278 |
0.107 |
2.6 |
2.6 |
Peak 2-b |
4.34 |
1.278 |
0.107 |
2.6 |
|
Peak 3-a |
4.78 |
1.509 |
0.179 |
2.9 |
2.9 |
Peak 3-b |
4.79 |
1.514 |
0.180 |
2.9 |
|
Peak 4-a |
6.06 |
2.181 |
0.339 |
3.5 |
3.5 |
Peak 4-b |
6.06 |
2.181 |
0.339 |
3.5 |
|
Peak 5-a |
9.73 |
4.108 |
0.614 |
4.6 |
4.6 |
Peak 5-b |
9.74 |
4.113 |
0.614 |
4.6 |
|
Peak 6-a |
14.02 |
6.360 |
0.803 |
5.4 |
5.4 |
Peak 6-b |
14.05 |
6.375 |
0.805 |
5.4 |
|
Peak 7-a |
105.60 |
- |
- |
>6.5 |
>6.5 |
Peak 7-b |
105.49 |
- |
- |
>6.5 |
|
Peak 8-a |
117.65 |
- |
- |
>6.5 |
>6.5 |
Peak 8-b |
117.62 |
- |
- |
>6.5 |
It is judged that all of the test results are valid because the difference between two measured values of each peak was within ±0.1.
Applicant's summary and conclusion
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