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EC number: 227-022-5 | CAS number: 5601-29-6
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:
- October 12, 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study conducted according to internationally accepted testing guidelines.
- 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:
- ca. 14.164
- Temp.:
- 20 °C
- pH:
- ca. 6.52
- Type:
- log Pow
- Partition coefficient:
- ca. 1.098
- Temp.:
- 20 °C
- pH:
- ca. 6.52
- Details on results:
- Concentration of the double distilled water phase was very low: even applying direct measurement to this phase, absorbance values were far below the lower limit of the spectrophotometer’s sensibility. Measured differences were below the error limits of the method.
- Conclusions:
- log Pow: 1.0976
Pow: 14.16402 - 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
Study conducted at 20 °C and at pH of 6.52.
Average Pow: 14.16402
Average log Pow: 1.0976
Reference
Concentration of mother solution: W1 = 0.0113 g/100 ml = 0.1130 g/Ll
| Ratio o/w | Water phase | n-octanol phase | Pow | log Pow | Average log Pow |
| Conc. (g/l) | Conc. (g/l) | ||||
| 70/30 | 0.017 | 0.1057 | 6.2143 | 0.793391 | 0.7934 |
| 50/50 | 0.0073 | 0.1057 | 14.5000 | 1.161368 | 1.1614 |
| 30/70 | 0.0047 | 0.1021 | 21.7778 | 1.338014 | 1.3380 |
| pH of the test solution: 6.52 | |||||
| Average Pow: 14.16402 | |||||
| Average log Pow: 1.0976 | |||||
| Std. dev. Pow: 7.7872 | |||||
| Std. dev. log Pow: 0.28 | |||||
Description of key information
1.0976 (Pow: 14.16402) at 20 °C
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.098
- at the temperature of:
- 20 °C
Additional information
Partition coefficient was determined by means of shake flask method as per recommendations of OECD 107. The test was carried out at the temperature of 20 °C and at pH of 6.52. The average Pow calculated was 14.16402 (average log Pow: 1.0976).
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