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EC number: 944-296-8 | 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
- 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. 0.006
- Temp.:
- 20 °C
- pH:
- ca. 6.22
- Type:
- log Pow
- Partition coefficient:
- ca. -2.252
- Temp.:
- 20 °C
- pH:
- ca. 6.22
- Conclusions:
- logPow = -2.2524;
Pow = 0.0056 - 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.
Results:
The partition coefficient of the tested substance at 20°C and pH = 6.22 is logPow = -2.2524 and Pow = 0.0056.
Reference
At 96 hours, value 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 | Avarage log Pow |
| c (g/l) | c (g/l) | ||||
| 70 / 30 | 0.4031 | 0.0020 | 0.0050 | -2.305044 | -2.3050 |
| 70 / 30 | 0.4031 | 0.0020 | 0.0050 | -2.305044 | |
| 50 / 50 | 0.4014 | 0.0026 | 0.0064 | -2.194052 | -2.1941 |
| 50 / 50 | 0.4014 | 0.0026 | 0.0064 | -2.194052 | |
| 30 / 70 | 0.3989 | 0.0022 | 0.0055 | -2.258211 | -2.2582 |
| 30 / 70 | 0.3989 | 0.0022 | 0.0055 | -2 .258211 |
Average Pow: 0.0056 ± 0.0007
Average logPow: -2.2524 ± 0.056
Description of key information
OECD TG 107 - logPow = -2.2524 at 20°C and pH 6.22
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.252
- at the temperature of:
- 20 °C
Additional information
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