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Partition coefficient

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Description of key information

The Log Pow of polysulfides, di-tert-dodecyl is > 12

Key value for chemical safety assessment

Additional information

Gancet (2008) followed OECD guideline 117 and refers to a high performance liquid chromatography method.

Polysulfides, di-tert-dodecyl is made of 2 units of tert-dodecanethiol linked by polysulfide bonds. Taking into account figure R.7.8-2 from theGuidance on Information Requirements and Chemical Safety Assessment,we can consider that the two substances share structural properties and that information on environmental fate and effects of tert-dodecanethiol is valuable for the assessment of Polysulfides, di-tert-dodecyl.

Both tert-dodecanethiol and Polysulfides, di-tert-dodecyl octanol partition coefficient results exceed the capacity range of OCDE 117 HPLC method. The highest standard for calibration of the column (DDT) has a logKow = 6.2. The peak corresponding to the substance have a retention time much larger than this (>16 minutes vs 9.2 minutes).

KOWWIN calculates a logKow = 12.4553 for Polysulfides, di-tert-dodecyl, with the default structure linked to the CAS number 68425-15-0. A more ramified structure gives close results, whatever the number of sulphur atoms between the two tert-dodecanethiol units is, as they do not contribute in the hydrophobicity.