Registration Dossier
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EC number: 222-476-0 | CAS number: 3486-30-4
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)
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Type:
- Pow
- Partition coefficient:
- 0.013
- Temp.:
- 20 °C
- pH:
- 6.38
- Remarks on result:
- other: average
- Type:
- log Pow
- Partition coefficient:
- -1.88
- Temp.:
- 20 °C
- pH:
- 6.38
- Remarks on result:
- other: average
- Conclusions:
- Average Pow: 0.0132 at 20 °C and pH 6.38
Average log Pow: -1.8796 at 20 °C and pH 6.38 - Executive summary:
Method:
Partition coefficient was determined by means of shake flask method as per recommendations of OECD guideline 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 at pH of 6.38.
Average Pow: 0.0132
Average log Pow: -1.8796
Reference
At 96 hours values reached equilibrium, and so these values were considered for final calculations making duplicate determinations of every ratio o/w.
Concentration of mother solution: W1 = 0.0413 g/100 ml = 0.4130 g/l
| Ratio o/w | Water phase | n-octanol phase | Pow | log Pow |
| conc. (g/l) | conc. (g/l) | |||
| 70/30 | 0.4079 | 0.0051 | 0.0124 | -1.9063 |
| 70/30 | 0.4079 | 0.0051 | 0.0124 | -1.9063 |
| 50/50 | 0.4079 | 0.0051 | 0.0124 | -1.9063 |
| 50/50 | 0.4079 | 0.0051 | 0.0124 | -1.9063 |
| 30/70 | 0.4069 | 0.0061 | 0.0149 | -1.8261 |
| 30/70 | 0.4069 | 0.0061 | 0.0149 | -1.8261 |
| pH of the test solution | 6.38 | |||
| Average Pow | 0.0132 | |||
| Average log Pow | -1.8796 | |||
| Std. dev. Pow | 0.0015 | |||
| Std. dev. log Pow | 0.046 | |||
Description of key information
-1.8796
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.88
- at the temperature of:
- 20 °C
Additional information
Shake flask method - OECD TG 107
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