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EC number: 285-998-8 | CAS number: 85186-15-8
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:
- August 28, 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. 0.026
- Temp.:
- 20 °C
- pH:
- ca. 6.85
- Type:
- log Pow
- Partition coefficient:
- ca. -1.598
- Temp.:
- 20 °C
- pH:
- ca. 6.85
- Conclusions:
- The partition coefficient, log Pow, of the test substance is -1.5981, at 20 °C and pH of 6.85
- Executive summary:
The partition coefficient of the substance was tested according to OECD guideline 107 (Partition coefficient (n-octanol/water): Shake Flask Method).
The partition coefficient, log Pow, of the test substance is -1.5981 at 20 °C and pH 6.85
Reference
At 96 hours, values reached equilibrium, and so this value was considered for final calculations making duplicate determinations of every o/w ratio.
Concentration of mother solution: W1= 0.0393 g / 100 ml = 0.3930 g/l
Ratio o/w |
Water phase c (g/l) |
n-octanol phase c (g/l) |
Pow |
log Pow |
Average log Pow |
70 / 30 |
0.3854 |
0.0076 |
0.0196 |
-1.7069 |
-1.7069 |
0.3854 |
0.0076 |
0.0196 |
-1.7069 |
||
50 / 50 |
0.3837 |
0.0093 |
0.0243 |
-1.6148 |
-1.6148 |
0.3837 |
0.0093 |
0.0243 |
-1.6148 |
||
30 / 70 |
0.3802 |
0.0128 |
0.0337 |
-1.4725 |
-1.4725 |
0.3802 |
0.0128 |
0.0337 |
-1.4725 |
||
pH of the test solution: |
6.85 |
||||
Average Pow |
0.0259 |
Average log Pow |
-1.5981 |
||
Std. dev. Pow |
0.0072 |
Std. dev. log Pow |
0.118 |
||
Description of key information
log Pow = -1.5981
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -1.598
- at the temperature of:
- 20 °C
Additional information
The partition coefficient (log Pow) is -1.5981 at 20 °C and a pH of 6.85 as determined by the Shake Flask method in OECD Test Guideline 107
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