Registration Dossier
Registration Dossier
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EC number: 944-041-0 | 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:
- November 30, 2015
- 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
- Type:
- Pow
- Partition coefficient:
- ca. 0.112
- Temp.:
- 20 °C
- pH:
- ca. 4.96
- Type:
- log Pow
- Partition coefficient:
- ca. -0.955
- Temp.:
- 20 °C
- pH:
- ca. 4.96
- Conclusions:
- At 20°C and pH 4.96:
Average Pow = 0.1119
logPow = -0.9547 - Executive summary:
Method:
Partition coefficient was determined by shake flask method as described in OECD guideline 107.
Result:
At 20°C and pH 4.96:
average Pow = 0.1119
logPow = -0.9547
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 = 0.0390 g / 100 ml = 0.3090 g/l.
| ratio o/w | water phase | n-octanol phase | Pow | log Pow | average log Pow |
| c (g/l) | c (g/l) | ||||
| 70/30 | 0.3553 | 0.0347 | 0.0977 | -1.01028 | -1.0103 |
| 70/30 | 0.3553 | 0.0347 | 0.0977 | -1.01028 | |
| 50/50 | 0.3519 | 0.0381 | 0.1083 | -0.96524 | -0.9715 |
| 50/50 | 0.3529 | 0.0371 | 0.1053 | -0.97772 | |
| 30/70 | 0.3445 | 0.0455 | 0.1319 | -0.87971 | -0.8824 |
| 30/70 | 0.3450 | 0.0450 | 0.1303 | -0.88502 |
Description of key information
Shake flask method - OECD guideline 107. = -0.9547 (Pow: 0.1119) at 20°C and pH 4.96.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.955
- at the temperature of:
- 20 °C
Additional information
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