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EC number: 277-381-7 | CAS number: 73324-01-3
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:
- February 5, 2016
- 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
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.706
- Temp.:
- 20 °C
- pH:
- 6.8
- Type:
- Pow
- Partition coefficient:
- 0.02
- Temp.:
- 20 °C
- pH:
- 6.8
- Conclusions:
- The average Pow value is 0.0199 and the average log Pow value is -1.7057 at 20 °C and pH = 6.80.
- 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 pH 6.80.
Average Pow = 0.0199 at 20 °C
logPow = -1.7057 at 20 °C
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 = 0.0409 g / 100ml = 0.4090 g/l.
| Ratio o/w | Water phase c (g/l) | n-octanol phase c (g/l) | Pow | log Pow | Average log Pow |
| 70/30 | 0.4057 | 0.0077 | 0.0190 | -1.720159 | -1.6713 |
| 70/30 | 0.4049 | 0.0097 | 0.0239 | -1.622362 | |
| 50/50 | 0.4015 | 0.0075 | 0.0186 | -1.731499 | -1.6677 |
| 50/50 | 0.3991 | 0.0099 | 0.0249 | -1.603866 | |
| 30/70 | 0.3933 | 0.0067 | 0.0171 | -1.765917 | -01.7781 |
| 30/70 | 0.3941 | 0.0064 | 0.0162 | -1.790311 |
| pH of the test solution: | 6.80 | ||
| Average Pow | 0.0199 | Average log Pow | -1.7057 |
| Std. Dev Pow | 0.0028 | Std. Dev log Pow | 0.063 |
Description of key information
-1.7057 (Pow= 0.0199) at 20 °C and pH 6.80
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.706
- at the temperature of:
- 20 °C
Additional information
Shake Flask method - OECD 107
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