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EC number: 695-696-1 | CAS number: 124763-51-5
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 2020-10-15 to 2020-10-21
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- 2008
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 1995
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- mass spectrometry
- Key result
- Type:
- log Pow
- Partition coefficient:
- -3.6
- Temp.:
- 20 °C
- pH:
- >= 5 - <= 5.3
- Conclusions:
- The log Pow of the test item was determined to be -3.6 at pH 5 and a temperature of 20 °C.
- Executive summary:
An experimental study was conducted according to OECD 107 and EU Regulation, Method A.8. to determine the partition coefficient of the test item. In order to determine a partition coefficient, equilibrium of the two phase system is achieved by thorough mixing, followed by their separation in order to determine the concentration of the substance in both phases. Three tests were carried out using different phase ratios of n-octanol:water of 1:1, 2:1 and 4:1. The log Pow of the test item was determined to be -3.6 at pH 5 and a temperature of 20 °C.
Reference
Ratio of solvents | Measured concentration in | Measured concentration in | pH |
1:1 | 0.186 | 612 | 5.3 |
0.191 | 719 | ||
0.185 | 668 | ||
Mean | 0.187 | 666 | - |
RSD% | 2 | 8 | - |
Ratio of solvents | Measured concentration in | Measured concentration in | pH |
2:1 | 0.250 | 1083 | 5.0 |
0.268 | 1030 | ||
0.277 | 1063 | ||
Mean | 0.265 | 1058 | - |
RSD% | 5 | 3 | - |
Ratio of solvents | Measured concentration in | Measured concentration in | pH |
4:1 | 0.369 | 1678 | 5.1 |
0.369 | 1608 | ||
0.366 | 1853 | ||
Mean | 0.368 | 1713 | - |
RSD% | 0 | 7 | - |
Ratio of solvents | Partition coefficient | Log Partition coefficient |
Pow | Log Pow | |
1:1 | 0.000282 | -3.6 |
2:1 | 0.000251 | -3.6 |
4:1 | 0.000216 | -3.7 |
Mean all | 0.00025 | -3.6 |
95 % Confidence interval | 0.00003 | 0.04 |
Description of key information
The log Pow of the test item was determined to be -3.6 at pH 5 and a temperature of 20 °C (reference 4.7-1).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -3.6
- at the temperature of:
- 20 °C
Additional information
An experimental study was conducted according to OECD 107 and EU Regulation, Method A.8. to determine the partition coefficient of the test item. In order to determine a partition coefficient, equilibrium of the two phase system is achieved by thorough mixing, followed by their separation in order to determine the concentration of the substance in both phases. Three tests were carried out using different phase ratios of n-octanol:water of 1:1, 2:1 and 4:1. The log Pow of the test item was determined to be -3.6 at pH 5 and a temperature of 20 °C.
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