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EC number: 239-937-7
CAS number: 15834-04-5
log Pow = 6.74
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
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