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EC number: 695-748-3 | CAS number: 65286-55-7
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:
- 2014-12-12 to 2015-05-09
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Appearance/Physical state: Pale yellow liquid
- Batch: PFW-120356
- Purity: Not supplied
- Expiration date: Not supplied
- Storage conditions: Room temperature in the dark - Analytical method:
- high-performance liquid chromatography
- mass spectrometry
- Key result
- Type:
- log Pow
- Partition coefficient:
- -0.039
- Temp.:
- 22 °C
- pH:
- 12
- Details on results:
- Preliminary test
The log Pow was calculated to be -1.12.
Main test
The mean Pow was determined to be 0.916 at a pH of 12.0 and a temperature of 22.0°C. This corresponds to a log Pow value of -3.86 E-2. The results of the individual experiments are shown in the table underneath. - Conclusions:
- The shake flask method at pH 12 was applied for the determination of the partition coefficient (Pow) of the test item.
The Pow value of the test item at pH 12 and 22.0 ± 0.5 °C, was 0.916. This corresponds to a log Pow value of -3.86 E-2.
From this, the partition coefficient of the test item at pH 7 (P'ow) was estimated to be less than 6.01 E-03. log 10 P'ow < -2.22.
Reference
| Sample number | Organic/aqueous volume ratio | Partition coefficient | Mean partition coefficient |
| 1 | 2:1 | 0.914 | 0.897 |
| 2 | 2:1 | 0.880 | |
| 3 | 1:1 | 0.890 | 0.894 |
| 4 | 1:1 | 0.897 | |
| 5 | 1:2 | 0.988 | 0.957 |
| 6 | 1:2 | 0.925 |
The recovery was between 101% and 108% and the Pow standard deviation 0.0392.
Description of key information
Based on a guideline study according to OECD 107 and EU Method A.8 (Walker, 2015), the shake flask method at pH 12 was applied for the determination of the partition coefficient (Pow) of the test item. The Pow value of the test item at pH 12 and 22.0 ± 0.5 °C, was 0.916. This corresponds to a log Pow value of -3.86 E-2.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.039
- at the temperature of:
- 22 °C
Additional information
The logPow value is determined at pH 12.
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