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Partition coefficient

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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.