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EC number: 944-092-9 | CAS number: -
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:
- 2015-08-28
- 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
- Remarks:
- Shake Flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Type:
- Pow
- Partition coefficient:
- ca. 0.007
- Temp.:
- 20 °C
- pH:
- ca. 9.2
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. -2.138
- Temp.:
- 20 °C
- pH:
- ca. 9.2
- Details on results:
- The log Kow of the test substance was determined to be -2.1375 (Pow: 0.0074) at 20 °C and pH 9.20.
- Conclusions:
- The log Kow of the test substance was determined to be -2.1375 (Pow: 0.0074) at 20 °C and pH 9.20.
- 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 9.20.
Average Pow = 0.0074 at 20 °C
logPow = -2.1375 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: W 1 = 0.0413 g / 100 mL = 0.4130 g/L
Table 1: Results
| Ratio o/w | Water phase | n-octanol phase | Pow | log Pow | Average log Pow |
| c (g/l) | c (g/l) | ||||
| 70 / 30 | 0.4109 | 0.0037 | 0.009 | -2,046439 | -2,1348 |
| 70 / 30 | 0.4119 | 0.0025 | 0.006 | -2,223088 | |
| 50 / 50 | 0.4098 | 0.0032 | 0.0077 | -2.11171 | -2.1117 |
| 50 / 50 | 0.4098 | 0.0032 | 0.0077 | -2.11171 | |
| 30 / 70 | 0.4077 | 0.0023 | 0.0056 | -2.25559 | -2.1661 |
| 30 / 70 | 0.4051 | 0.0034 | 0.0084 | -2,076681 | |
| pH of the test solution: | 9.20 | ||||
| Average Pow | 0.0074 | Average log Pow | -2.1375 | ||
| Std. dev. Pow | 0.0004 | Std. dev. log Pow | 0.027 | ||
Description of key information
The log Kow of the test substance was determined to be -2.1375 (Pow: 0.0074) at 20 °C and pH 9.20.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.138
- at the temperature of:
- 20 °C
Additional information
For the determination of the partition coefficient of the test substance a Shake Flask method according to OECD 107 was used. The log Kow of the test substance was determined to be -2.1375 (Pow: 0.0074) at 20 °C and pH 9.20.
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