Registration Dossier
Registration Dossier
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EC number: 947-965-2 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study without deviations
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 3
- Remarks on result:
- other: Component 1
- Type:
- log Pow
- Partition coefficient:
- 3.9
- Remarks on result:
- other: Component 2
- Type:
- log Pow
- Partition coefficient:
- 4.8
- Remarks on result:
- other: Component 3
- Conclusions:
- The test substance is an UVCB substance. Therefore log POW values were determined for the three main constituents. Log POW values of 3.0, 3.9 and 4.8 were obtained.
- Executive summary:
The log POW value for the test substance was determined according to EU method A.8 employing the HPLC method. The test substance is an UVCB substance. Therefore log POW values were determined for the three main constituents. Log POW values of 3.0, 3.9 and 4.8 were obtained.
Reference
Summary of the results of the HPLC measurement (calibration substances)
No. |
tR1 [min] |
tR2 [min] |
trmean [min] |
k' |
Log k'(x) |
Log pow(y) Literature |
0 |
1.00 |
1.00 |
1.00 |
|
|
|
1 |
1.92 |
1.92 |
1.92 |
0.920 |
-0.036 |
1.9 |
2 |
4.84 |
4.83 |
4.84 |
3.840 |
0.584 |
2.7 |
3 |
10.36 |
10.35 |
10.36 |
9.360 |
0-971 |
4.0 |
4 |
47.70 |
47.58 |
47.64 |
46.640 |
1.669 |
4.2 |
5 |
20.54 |
20.52 |
20.53 |
19.53 |
1.291 |
4.8 |
6 |
44.34 |
44.12 |
44.23 |
43.230 |
1.636 |
5.7 |
The substance is a mixture of several components. So the three main peaks were chosen for the determination of the Pow values. Between the first and the second main peak a lot of smaller components can be seen.
From the retention times of the test item the corresponding kâ- and log kâ-values were calculated and by interpolation to the function above the log Pow of the substance was determined.
Results obtained with test substance
|
tR |
k' |
log k' |
log pow |
log pow Mean value |
Component 1 |
4.65 |
3.650 |
0.562 |
3.01 |
3.0 |
4.60 |
3.600 |
0.556 |
3.00 |
||
Component 2 |
11.87 |
10.870 |
1.036 |
3.92 |
3.9 |
11.86 |
10.860 |
1.036 |
3.92 |
||
Component 3 |
31.82 |
30.820 |
1.489 |
4.78 |
4.8 |
31.80 |
30.800 |
1.489 |
4.78 |
Description of key information
The substance is an UVCB substance. Therefore log POW values were determined for the three main constituents. Log POW values of 3.0, 3.9 and 4.8 were obtained. Average value: 3.9.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.9
Additional information
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