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EC number: 285-249-5 | CAS number: 85049-76-9
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)
- Version / remarks:
- (1995)
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Type:
- Pow
- Partition coefficient:
- ca. 0.013
- Temp.:
- 20 °C
- pH:
- ca. 7.25
- Remarks on result:
- other: std. dev. = 0.0039
- Type:
- log Pow
- Partition coefficient:
- ca. -1.908
- Temp.:
- 20 °C
- pH:
- ca. 7.25
- Remarks on result:
- other: std. dev. = 0.142
- Conclusions:
- Average Pow: 0.0129
Average log Pow: -1.9077 - Executive summary:
Method
Partition coefficient was determined by means of shake flask method according to OECD guideline 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 7.25
Average Pow: 0.0129
Average log Pow: -1.9077
Reference
Concentration of mother solution: W1 = 0.0401 g/100 ml = 0.04010 g/l
| Ratio o/w | Water phase | n-octanol phase | Pow | log Pow | Average log Pow |
| conc (g/l) | conc (g/l) | ||||
| 70/30 | 0.3978 | 0.0032 | 0.0080 | -2.0954 | -2.0662 |
| 70/30 | 0.3974 | 0.0036 | 0.0092 | -2.0369 | |
| 50/50 | 0.3964 | 0.0046 | 0.0115 | -1.939 | -1.865 |
| 50/50 | 0.3946 | 0.0064 | 0.0162 | -1.7909 | |
| 30/70 | 0.3951 | 0.0059 | 0.015 | -1.8236 | -1.792 |
| 30/70 | 0.3942 | 0.0068 | 0.0174 | -1.7604 | |
| pH of the test solution: | 7.25 | ||||
| Average Pow | 0.0129 | Average log Pow | -1.9077 | ||
| Std. dev. Pow | 0.0039 | Std. dev. log Pow | 0.142 | ||
Description of key information
-1.9077 at 20 °C and pH 7.25.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.908
- at the temperature of:
- 20 °C
Additional information
OECD Guideline 107.
The test was carried out at the temperature of 20 °C and at pH of 7.25. The average Pow calculated was 0.0129 (average log Pow: -1.9077).
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