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EC number: 266-648-3 | CAS number: 67338-59-4
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:
- November 30, 2016
- 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)
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Type:
- Pow
- Partition coefficient:
- ca. 24.902
- Temp.:
- 20 °C
- Remarks on result:
- other: pH is not measured for insoluble substance
- Type:
- log Pow
- Partition coefficient:
- ca. 1.386
- Temp.:
- 20 °C
- Remarks on result:
- other: pH is not measured for insoluble substance
- Conclusions:
- log Pow = 1.3864 at 20 °C
- 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
Average Pow = 24.902 at 20 °C
log Pow = 1.3864 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: W 1 = 0.0391 g / 100 ml = 0.3910 g/l
| Ratio o/w | Water phase | n-octanol phase | Pow | log Pow | Average log Pow |
| c (g/l) | c (g/l) | ||||
| 70 / 30 | 0.0159 | 0.3540 | 22.31880 | -1.348672 | 1.3487 |
| 70 / 30 | 0.0159 | 0.3540 | 22.31880 | -1.348672 | |
| 50 / 50 | 0.0105 | 0.3805 | 36.38460 | -1.560918 | 1.5008 |
| 50 / 50 | 0.0137 | 0.3773 | 27.58820 | -1.440724 | |
| 30 / 70 | 0.0188 | 0.3830 | 20.40000 | -1.309630 | 1.3096 |
| 30 / 70 | 0.0188 | 0.3830 | 20.40000 | -1.309630 | |
| pH of the test solution: | - | ||||
| Average Pow | 24.902 | Average log Pow | 1.3864 | ||
| Std. dev. Pow | 6.2101 | Std. dev. log Pow | 0.101 | ||
Description of key information
1.3864 (Pow: 24.902) at 20 °C
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.386
- at the temperature of:
- 20 °C
Additional information
Shake Flask method - OECD 107
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