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EC number: 950-102-2 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- other: read across
- Adequacy of study:
- supporting study
- Study period:
- July 30, 2015
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Study conducted according to internationally accepted testing guidelines. Although the values recorded are outside of the applicability domain for the test method, the rusults can be considered as reliable and representative for the tested substance. The study outcomes are indicative of a high affinity with the water phase, respect than the octanol one.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- no
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Type:
- Pow
- Partition coefficient:
- 0.003
- Temp.:
- 20 °C
- pH:
- 7.68
- Type:
- log Pow
- Partition coefficient:
- -2.525
- Temp.:
- 20 °C
- pH:
- 7.68
- Conclusions:
- log Pow: -2.525 at 20 °C and at pH of 7.68
- Executive summary:
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.
Study conducted at 20 °C and at pH of 7.68.
Average Pow: 0.0029 (SD: 0.0004)
Average log Pow: -2.525 (SD: 0.030)
Conclusion
log Pow: -2.525 at 20 °C and at pH of 7.68
Reference
At 96 hours, the values reached equilibrium, therefore this value was considered for final calculations making duplicate determinations of every ratio o/w.
Concentration of mother solution: W1 = 0.0401 g / 100 ml = 0.4010 g/l
| Ratio o/w | Water phase | n-octanol phase | Pow | log Pow |
| Conc. (g/l) | Conc. (g/l) | |||
| 70/30 | 0.4005 | 0.0012 | 0.0029 | - 2.539972 |
| 70/30 | 0.4005 | 0.0012 | 0.0029 | - 2.539972 |
| 50/50 | 0.4000 | 0.0010 | 0.0025 | - 2.533972 |
| 50/50 | 0.4000 | 0.0010 | 0.0025 | - 2.539972 |
| 30/70 | 0.3980 | 0.0013 | 0.0032 | - 2.495082 |
| 30/70 | 0.3980 | 0.0013 | 0.0032 | - 2.495082 |
| pH of the test solution | 7.68 | |||
| Average Pow | 0.0029 | SD: 0.0004 | ||
| Average log Pow | -2.5250 | SD: 0.030 |
Description of key information
Average log Pow: -2.5250, at 20 °C and pH 7.68
Key value for chemical safety assessment
Additional information
Shake flask method - OECD 107
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