Registration Dossier
Registration Dossier
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EC number: 239-937-7 | CAS number: 15834-04-5
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
log Pow = 6.74
Key value for chemical safety assessment
Additional information
The log Pow of the substance 2,2-bis[[(1-oxopentyl)oxy]methyl]propane-1,3-diyl divalerate (CAS 15834-04-5) was determined by QSAR calculation with KOWWIN (v1.68).
The substance fits into the applicability domain of the QSAR model, fragments of the test substance (e.g. pentaerythritol) or similar fragments (e.g. fatty acids) are in the QSAR model training dataset and therefore reliable for classification and labelling and assessment.
Testing of the substance with appropriate OECD 117 method (HPLC for poorly water soluble substances with an expected log Pow >5) would reveal a result of log Pow >5.7. The set of reference substances in the higher log Pow ranges is limited due to toxicological reasons (DDT with a log Pow = 6.5 is commonly not used in analytics). Therefore the QSAR calculation gives precise result of log Pow for assessment of a lipophilic substance.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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