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EC number: 275-033-9 | CAS number: 70942-15-3
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:
- May 20, 2014
- 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
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Type:
- Pow
- Partition coefficient:
- ca. 0.004
- Temp.:
- 20 °C
- pH:
- ca. 6.73
- Type:
- log Pow
- Partition coefficient:
- ca. -2.451
- Temp.:
- 20 °C
- pH:
- ca. 6.73
- Conclusions:
- Average Pow = 0.0036 (20 °C; pH 6.73)
Log Pow = -2.4509 (20 °C; pH 6.73) - 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 consisting in two largely immiscible solvents.
Result
Study conducted at 20 °C and pH 6.73.
Average Pow = 0.0036 at 20 °C
logPow = -2.4509 at 20 °C
Reference
At 96 hours values reached equilibrium, and so this value was considered for final calculations making duplicate determinations of every ratio o/w. Concentration of mother solution: W1 = 0.0404 g / 100 ml = 0.4040 g/l
| Ratio o/w | Water phase | n-octanol phase | Pow | log Pow | Average log Pow |
| c (g/l) | c (g/l) | ||||
| 70 / 30 | 0.4032 | 0.0008 | 0.0020 | -2.7024 | -2.5515 |
| 70 / 30 | 0.4024 | 0.0016 | 0.0040 | -2.4005 | |
| 50 / 50 | 0.4024 | 0.0016 | 0.0040 | -2.4005 | -2.4005 |
| 50 / 50 | 0.4024 | 0.0016 | 0.0040 | -2.4005 | |
| 30 / 70 | 0.4024 | 0.0016 | 0.0040 | -2.4005 | -2.4005 |
| 30 / 70 | 0.4024 | 0.0016 | 0.0040 | -2.4005 | |
| pH of the test solution: | 6.73 | ||||
| Average Pow | 0.0036 | Average log Pow | -2.4509 | ||
| Std. dev. Pow | 0.0006 | Std. dev. log Pow | 0.087 | ||
Description of key information
-2.4509 (Pow: 0.0036) at 20 °C and pH 6.73
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.451
- at the temperature of:
- 20 °C
Additional information
Shake Flask method - OECD 107
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