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EC number: 276-558-6 | CAS number: 72275-69-5
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:
- May 23, 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:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Type:
- Pow
- Partition coefficient:
- ca. 1.781
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not measured
- Type:
- log Pow
- Partition coefficient:
- ca. 0.248
- Temp.:
- 20 °C
- Remarks on result:
- other: pH not measured
- Conclusions:
- Average Pow =1.7812 at 20 °C
Average logPow = 0.2477 at 20 °C - 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
Average Pow: 1.7812
Average log Pow: 0.2477
Reference
Concentrations of the n-octanol phase were calculated directly from the absorbance values.
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.
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 = 0.0039 g / 100ml = 0.0390 g/l
| Ratio o/w | Water phase | n-octanol phase | Pow | log Pow | Average log Pow |
| c (g/l) | c (g/l) | ||||
| 70 / 30 | 0.0088 | 0.0184 | 2.0814 | 0.3184 | 0.3184 |
| 70 / 30 | 0.0088 | 0.0184 | 2.0814 | 0.3184 | |
| 50 / 50 | 0.0146 | 0.0244 | 1.6737 | 0.2237 | 0.2237 |
| 50 / 50 | 0.0146 | 0.0244 | 1.6737 | 0.2237 | |
| 30 / 70 | 0.0193 | 0.0307 | 1.5885 | 0.2010 | 0.2010 |
| 30 / 70 | 0.0193 | 0.0307 | 1.5885 | 0.2010 | |
| pH of the test solution: | n.d | ||||
| Average Pow | 1.7812 | Average log Pow | 0.2477 | ||
| Std. dev. Pow | 0.2634 | Std. dev. log Pow | 0.062 | ||
Description of key information
logKow = 0.2477 (Pow: 1.7812) at 20 °C
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.248
- at the temperature of:
- 20 °C
Additional information
Shake flask method - OECD 107
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