Registration Dossier
Registration Dossier
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EC number: 606-172-9 | CAS number: 1893-33-0
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The octanol-water partition coefficient (LogKow or LogP) was estimated by using three
different predictors: ACD/Percepta LogP Classic, ACD/Percepta LogP GALAS and KOWWIN predictors.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.42
Additional information
Partition coefficient n-octanol/water predictions:
ACD/logP Classic |
ACD/logP GALAS |
KOWWIN LogP |
WoE LogP prediction |
2.29 ±0.54 (Not reliable) |
2.51 (High reliable) |
2.28 (Moderate reliable) |
2.42 (High reliable) |
In the weight of evidence assessment only reliable predictions are to be taken into account. ACD/Percepta LogP Classic was not included in the weight of evidence assessment since it did not provide a reliable prediction. Thus, the weight of evidence prediction was computed as the weighted mean among ACD/LogP GALAS and EPI Suite/KOWWIN, where ACD/LogP GALAS prediction was weighted more (0.6) than EPI Suite/KOWWIN (0.4) because of its higher reliability.For thePipamperonethe weight of evidence assessment led to a high reliable LogKow prediction of 2.42.
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