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EC number: 291-443-0 | CAS number: 90411-66-8
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 29 Dec 2017 - 9 Feb 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 23 November 2004
- Deviations:
- no
- GLP compliance:
- no
- Other quality assurance:
- other: ISO 9001: 2015
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: UPLC
- Key result
- Type:
- Pow
- Partition coefficient:
- > 16 000 000
- Temp.:
- 35 °C
- pH:
- 7
- Conclusions:
- The octanol-water partition coefficient of the test substance was determined to be >7.2 Log Pow at 35 °C (Pow > 1.6 E10+7), under the conditions of the test.
- Executive summary:
In this guideline (OECD 107) study, the octanol-water partition coefficient was found to be Log Pow >7.2 (Pow >1.6 x 107) at 35 °C ± 1°C.
Reference
HPLC Method
UPLC-UV chromatograms of the test item solution and the corresponding blank are shown inFigure 6andFigure 7, respectively. In the chromatogram of the test item solution, several peaks with a retention time of > 38 minutes were observed. Under the same analytical conditions, the retention time of 4,4’-DDT (log Pow= 6.5) was 10.7 minutes andbenzo[ghi]perylene(log Pow= 7.2) was 17.3 minutes. It was concluded that the log Powof test item was > 7.2 (Pow > 1.6 ´ 107).
Table 6
Powof the Test Item
Substance |
Retention time (min) |
log Pow |
Pow |
||
tr,1 |
tr,2 |
mean |
|||
4,4’-DDT |
10.686 |
10.640 |
10.663 |
6.5 |
|
Benzo[ghi]perylene |
17.312 |
17.313 |
17.313 |
7.2 |
|
Test item – peak 1 |
38.864 |
38.876 |
38.870 |
>7.2 |
>1.6´107 |
Test item – peak 2 |
39.738 |
39.749 |
39.744 |
>7.2 |
>1.6´107 |
Test item – peak 3 |
40.496 |
40.507 |
40.502 |
>7.2 |
>1.6´107 |
Test item – peak 4 |
41.169 |
41.179 |
41.174 |
>7.2 |
>1.6´107 |
Conclusion
The HPLC method at pH 7 was appliedfor the determination of the partition coefficient (Pow) of Hetester FAO.
The Powand log Powvalues of the test item at pH 7 were:
|
Pow |
log Pow |
Test item – peak 1 |
>1.6´107 |
>7.2 |
Test item – peak 2 |
>1.6´107 |
>7.2 |
Test item – peak 3 |
>1.6´107 |
>7.2 |
Test item – peak 4 |
>1.6´107 |
>7.2 |
Description of key information
Study conducted to recognised testing guidelines.
Key value for chemical safety assessment
Additional information
log Pow was found to be >7.2 @ 35 °C
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