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EC number: 264-944-7 | CAS number: 64560-69-6
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- 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)
- Version / remarks:
- 1995
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- photometric method
- Type:
- Pow
- Partition coefficient:
- ca. 0.04
- Temp.:
- 20 °C
- Remarks on result:
- other: no pH measured
- Type:
- log Pow
- Partition coefficient:
- ca. -1.397
- Temp.:
- 20 °C
- Remarks on result:
- other: no pH measured
- Conclusions:
- Average Pow: 0.0401 at 20 °C
Average log Pow: -1.3971 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, i.e. n-octanol and water.
Result
Study conducted at 20 °C; no pH measured.
Average Pow: 0.0401.
Average log Pow: -1.3971.
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 = 0.0408 g / 100 ml = 0.4080 g/l
| Ratio o/w | Water phase | n-octanol phase | Pow | log Pow | Average log Pow |
| c (g/l) | c (g/l) | ||||
| 70 / 30 | 0.1720 | 0.0068 |
0.0393 |
-1.4053 |
-1.4053 |
70 / 30 |
0.1720 |
0.0068 |
0.0393 |
-1.4053 |
|
50 / 50 |
0.3924 |
0.0156 |
0.0397 |
-1.4018 |
-1.4018 |
50 / 50 |
0.3924 |
0.0156 |
0.0397 |
-1.4018 |
|
30 / 70 |
0.8683 |
0.0359 |
0.0413 |
-1.3842 |
-1.3842 |
30 / 70 |
0.8683 |
0.0359 |
0.0413 |
-1.3842 |
|
pH of the test solution: |
n.a. |
||||
Average Pow |
0.0401 |
Average log Pow |
-1.3971 |
||
Std. dev. Pow |
0.0010 |
Std. dev. log Pow |
0.011 |
||
Description of key information
-1.3971 (Pow: 0.0401) at 20 °C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.397
- at the temperature of:
- 20 °C
Additional information
Shake flask method, OECD guideline 107.
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