Registration Dossier
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EC number: 224-748-4 | CAS number: 4474-24-2
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:
- December 19, 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. 0.052
- Temp.:
- 20 °C
- pH:
- ca. 6.9
- Type:
- log Pow
- Partition coefficient:
- ca. -1.304
- Temp.:
- 20 °C
- pH:
- ca. 6.9
- Conclusions:
- Average Pow: 0.0518 at 20 °C and pH 6.90
Average log Pow: -1.3038 at 20 °C and pH 6.90 - 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 6.90.
Average Pow: 0.0518
Average log Pow: -1.3038
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 = 0.0399 g / 100ml = 0.3990 g/l
| Ratio o/w | Water phase | n-octanol phase | Pow | log Pow | Average log Pow |
| c (g/l) | c (g/l) | ||||
| 70 / 30 | 0.3876 | 0.0114 | 0.0294 | -1.5315 | -1.4345 |
| 70 / 30 | 0.3815 | 0.0175 | 0.046 | -1.3375 | |
| 50 / 50 | 0.3823 | 0.0167 | 0.0436 | -1.3607 | -1.3075 |
| 50 / 50 | 0.378 | 0.0210 | 0.0557 | -1.2543 | |
| 30 / 70 | 0.3762 | 0.0228 | 0.0606 | -1.2175 | -1.1693 |
| 30 / 70 | 0.3709 | 0.0281 | 0.0757 | -1.1212 | |
| pH of the test solution: | 6.90 | ||||
| Average Pow | 0.0518 | Average log Pow | -1.3038 | ||
| Std. dev. Pow | 0.0153 | Std. dev. log Pow | 0.133 | ||
Description of key information
LogPow = -1.3038 (Pow: 0.0518) at 20 °C and pH 6.90
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.304
- at the temperature of:
- 20 °C
Additional information
Shake flask method - OECD guideline 107.
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