Registration Dossier
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EC number: 292-059-6 | CAS number: 90530-20-4
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:
- from 2018-09-17 to 2018-11-06
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according 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
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- liquid chromatography
- Key result
- Type:
- Pow
- Partition coefficient:
- 5.6
- Temp.:
- 20 °C
- pH:
- >= 7 - <= 7.1
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.74
- Temp.:
- 20 °C
- pH:
- >= 7 - <= 7.1
- Conclusions:
- The partition coefficient Pow of the test item was determined to be 5.6 at 20 °C. The log Pow was calculated to be 0.74 at 20 °C.
- Executive summary:
A study was conducted in accordance with OECD TG 107, Regulation (EC) No 440/2008 method A.8 and OPPTS 830.7550 to determine the partition coefficient of the test substance using the shake flask method. A stock solution of the test substance was prepared in n-octanol pre-saturated with water. Test vessels with octanol/water mixture in different ratios were shaken for 5 minutes by hand. Separation of the two phases was achieved by centrifugation at 20 °C. The samples in the octanol phase and the water phase were diluted and analysed using LC-MS. The partition coefficient of the test item was determined to be 5.6. The log Pow is 0.74.
Reference
The recovery in all ratios was between 100 and 106 %. The pH was measured to be 7.0 - 7.1.
Table 1. Calculated partition coefficient (Pow) and log Pow
Ratio of solvents |
Partition coefficient |
Log Partition coefficient |
Pow |
Log Pow |
|
1:1 |
5.61 |
0.749 |
2:1 |
4.69 |
0.671 |
1:2 |
6.45 |
0.810 |
Mean all |
5.6 |
0.74 |
95 % Confidence limit |
0.6 |
0.05 |
Description of key information
The partition coefficient Pow of the test item was determined to be 5.6 at 20 °C. The log Pow was calculated to be 0.74 at 20 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.74
- at the temperature of:
- 20 °C
Additional information
A study was conducted in accordance with OECD TG 107, Regulation (EC) No 440/2008 method A.8 and OPPTS 830.7550 to determine the partition coefficient of the test substance using the shake flask method. A stock solution of the test substance was prepared in n-octanol pre-saturated with water. Test vessels with octanol/water mixture in different ratios were shaken for 5 minutes by hand. Separation of the two phases was achieved by centrifugation at 20 °C. The samples in the octanol phase and the water phase were diluted and analysed using LC-MS. The partition coefficient of the test item was determined to be 5.6. The log Pow is 0.74.
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