Registration Dossier
Registration Dossier
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EC number: 942-993-1 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
Log Kow (range; all constituents): >= 6.29 to <= 8.35 at 25 °C; ca. pH 7, QSAR Prediction - KOWWIN v1.68, Firmenich SA 2015
Key value for chemical safety assessment
Additional information
In accordance with REACH Regulation (EC) No. 1907/2006 Annex VII, column 2 section 7.8 the study does not need to be conducted if the test cannot be performed (e.g. the substance decomposes). A calculated value for log P is provided in conjunction to provided evidence of hydrolysis.
QSAR Predictions KOWWIN v1.68 model, 2015 at 25 °C and ca. pH 7: Log Kow range (all constituents): 6.29 to 8.35
Summary of individual predictions:
- Constituent 1, 2 and 4: 6.29 (experimental reference within the prediction model validation set)
- Constituents 3 and 5: 6.82 – 7.45, respectively (experimental reference within the prediction model validation set)
- All other constituents: >= 6.29 and <= 8.35 (experimental reference within the prediction model validation set)
References for further information:
1. QMRF Title: KOWWIN v1.68 : n-Octanol/Water Partition Coefficient (Log Kow), version 1.0; dated: 01-10-2015
2. QPRF Title: Reaction mass of methyl (9E,12E,15Z)-9,12,15-octadecatrienoate and methyl (9E,12Z,15E)-9,12,15-octadecatrienoate and methyl (9Z)-9-octadecenoate and methyl (9Z,12E,15E)-9,12,15-octadecatrienoate and methyl (9Z,12Z)-9,12-
octadecadienoate using the model KOWWIN v1.68 for the endpoint: Partition Coefficient (Log Kow)version 1.0; dated: 01-10-2015
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