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Partition coefficient

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Description of key information

Due to issues with developing a method of quantitation for the test substance that was sensitive enough to quantitate the test substance, especially in the water phase, the octanol/water partition coefficient of HiMo LAB was estimated by three QSAR methods and a calculation method based on the solubility in the two phases. It was not possible to determine the log Pow  value experimentally. The results of these estimations, expressed as logPow  values, were 13.34 from both EPI Suite and ALOGPS, 13.62 from SPARC, and >12.43 from the calculation method.

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Additional information

The purpose of this study was to determine the octanol/water partition coefficient (Pow) by equilibrating the test substance in a two-phase system of octanol and water and analyzing the two phases. Due to issues with developing a method of quantitation for the test substance that was sensitive enough to quantitate the test substance, especially in the water phase, the octanol/water partition coefficient of HiMo LAB was estimated by using three QSAR methods and a calculation method based on the solubility in the two phases. It was not possible to determine the log Pow value experimentally. The results of these estimations, expressed as logPow values, were 13.34 from both EPI Suite and ALOGPS, 13.62 from SPARC, and >12.43 from the calculation method.

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