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EC number: 266-658-8 | CAS number: 67352-37-8
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
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- no
- Type of method:
- flask method
- Remarks:
- shake flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Type:
- Pow
- Partition coefficient:
- ca. 4.006
- Temp.:
- 20 °C
- pH:
- ca. 6
- Remarks on result:
- other: std. dev. = 1.5628
- Type:
- log Pow
- Partition coefficient:
- ca. 0.581
- Temp.:
- 20 °C
- pH:
- ca. 6
- Remarks on result:
- other: std. dev. = 0.170
- Conclusions:
- Average Pow: 4.0061 at 20 °C and pH 6
Average log Pow: 0.5806 at 20 °C and pH 6 - Executive summary:
Method
Partition coefficient was determined by means of shake flask method as per recommendations of OECD 107. Partition coefficient (P) is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system.
Result
Study conducted at 20 °C and at pH of 6.
Average Pow: 4.0061
Average log Pow: 0.5806
Reference
Concentration of mother solution: W1 = 0.0405 g/100 ml = 0.04050 g/l
| Ratio o/w | Water phase | n-octanol phase | Pow | log Pow | Average log Pow |
| conc (g/l) | conc (g/l) | ||||
| 70/30 | 0.1122 | 0.2928 | 2.6087 | 0.4164 | 0.4164 |
| 70/30 | 0.1122 | 0.2928 | 2.6087 | 0.1464 | |
| 50/50 | 0.0859 | 0.3191 | 3.7159 | 0.5701 | 0.5701 |
| 50/50 | 0.0859 | 0.3191 | 3.7159 | 0.5701 | |
| 30/70 | 0.0605 | 0.3445 | 5.6935 | 0.7554 | 0.7554 |
| 30/70 | 0.0605 | 0.3445 | 5.6935 | 0.7554 | |
| pH of the test solution: | 6.00 | ||||
| Average Pow | 4.0061 | Average log Pow | 0.5806 | ||
| Std. dev. Pow | 1.5628 | Std. dev. log Pow | 0.170 | ||
Description of key information
0.5806 (Pow 4.0061) at 20 °C and pH 6
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.581
- at the temperature of:
- 20 °C
Additional information
Partition coefficient was determined by means of shake flask method as per recommendations of OECD 107. The test was carried out at the temperature of 20 °C and at pH of 6. The average Pow calculated was 4.0061 (average log Pow: 0.5806).
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