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EC number: 701-473-2 | 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:
- guideline study
- Reason / purpose for cross-reference:
- reference to other study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Version / remarks:
- 27 July 1995
- Deviations:
- no
- GLP compliance:
- not specified
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.25
- Temp.:
- 20 °C
- pH:
- 5.67
- Conclusions:
- In a study performed according to OECD 107 a log Pow of 5.25 was determind for the test item.
- Executive summary:
The partition coefficient of the test item was determined in a study according to OECD guideline 107. For the test item a log Pow of 5.25 was determined.
Reference
Table 1: 1 -Octanol solubility of the test item
Flask |
Shaking Duration (h) |
Weighted sample in g/5 mL |
Peak areas of the signals |
1-Octanol solubility of the test item mg/L |
Average/ day mg/L |
Average mg/L |
Standard deviation mg/L |
OCT-1 |
24 |
3.8115 |
21503752 |
402012 |
403008 |
409360 |
23291 |
OCT-2 |
24 |
3.5026 |
20332885 |
396077 |
|||
OCT-3 |
24 |
4.0760 |
22090745 |
410936 |
|||
OCT-4 |
48 |
3.6101 |
20411898 |
404759 |
435168 |
||
OCT-5 |
48 |
5.4482 |
22086671 |
472396 |
|||
OCT-6 |
48 |
4.1891 |
20220678 |
428350 |
|||
OCT-7 |
72 |
3.5222 |
17079457 |
364426 |
389904 |
||
OCT-8 |
72 |
4.1873 |
20547148 |
408642 |
|||
OCT-9 |
72 |
4.1062 |
19178531 |
396643 |
The individual results differ by 5.7 % for 1-octanol solubility, which makes tests correct.
Solubility of the test item in 1-Octanol: 409.36 ± 23.29 g/L
Estimation of the partition coefficient:
The partition coefficient of the solute can be estimated with the following formula:
log Pow = log ([solute] 1-octanol/[solute] water)
With the previous results for water solubility of 0.0023 ±0.0001 g/L and 1-Octanol solubility, the estimation of the partition coefficient of the tets item is:
log Pow = log (409.36 g/L /0.0023 g/L) = 5.25
Description of key information
In a study performed according to OECD 107 a log Pow of 5.25 was determind for the test item.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.25
- at the temperature of:
- 20 °C
Additional information
The partition coefficient of the test item was determined in a study according to OECD guideline 107. For the test item a log Pow of 5.25 was determined.
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