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Physical & Chemical properties

Partition coefficient

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Description of key information

The determination of partition coefficient was performed by a UV spectroscopy method compliant to GLP. Log Pow > 7.  For the purposes of risk assessment, an estimated value is proposed of 17.05.

Key value for chemical safety assessment

Log Kow (Log Pow):
at the temperature of:
20 °C

Additional information

Because a "greater than" value is not suitable for risk assessment purposes, in order to derive a more accurate Log10KOW value, a QSAR estimate is proposed. Although the training set for EPIWIN KOWWIN ranges from Log10KOWvalues of -4 to 8, the validation dataset indicates it has a predictive power beyond this range, and accurately predicts Log10KOW values >11. Ethylhexyltriazone, while being a complex molecule, has no functional groups or properties that fall outside the training data sets for QSAR development, therefore it is probable that QSARs will be able to semi-quantitatively determine the “real” Log10KOW of the molecule. On the basis of this assessment, the returned value of 17.05 is considered a better estimate predictor of Log10KOW, than calculated from a limit of analytical determination in a water solubility test.