1-Dodecene, dimer with 1-decene, hydrogenated

Partition coefficient

Description of key information

Based on measured data the log Kow of dec-1-ene dimers hydrogenated is >6.5. As this is an unbounded value, QSAR predictions have been conducted in order to give an indication of the log Kow value for dec-1-ene dimers hydrogenated. QSAR predictions indicate that the log Kow is 10.09.

Key value for chemical safety assessment

at the temperature of:

20 °C

Additional information

Dec-1-ene dimers hydrogenated is a member of the category Poly alpha olefins, which contains products that are made from the polymerization/oligomerization of alpha olefins. Physico-chemical properties of substances in the category change in a predictable manner, based on carbon number. Partition coefficient increases with increasing carbon number within the category.

A measured partition coefficient value is available for dec-1-ene dimers hydrogenated (Walker and Mullee, 2006). The result for dec-1-ene dimer hydrogenated was obtained from a study following OECD guideline 117, HPLC method. The HPLC method is suitable for a UCVB such as this. The reference standard with the highest Kow that was used in this study is DDT, with a log Kow of 6.5. Therefore log Kow values up to 6.5 can be determined using this method. As the log Kow of dec-1-ene dimers hydrogenated was determined to be greater than this it was reported as >6.5. This result is supported by measured log Kow >4.82 for 1-dodecene dimer hydrogenated from a study according to EU Method A.8 (Hogg and Barlett 1995). In this study the amount of test item in the water phase was less than the limit of detection and therefore the partition coefficient is reported as an unbounded value.

In addition, QSAR predictions have been conducted dec-1-ene dimers, hydrogenated using both EPIWEB 4.0 (USEPA, 2008) and SPARC (Karickhoff et al, 2009). The calculated log Kow values for dec-1-ene dimer, hydrogenated were 10.09 and 11.71 respectively for EPIWEB and SPARC.

QSAR predictions from EPIWEB have been validated up to an upper log Kow limit of approximately 8, and the predicted values for this substance are above this limit. The structural components of the substance are, however, within the domain of the QSAR models. Therefore, whilst the substances are within the structural domain of the model, the predictions lie outside its operating window. Nevertheless, these predictions indicate that the octanol:water partition of these substances is very high, and this is consistent with the results obtained from standard partition coefficient testing methods.

Based on measured data the log Kow of dec-1-ene dimers hydrogenated is >6.5. As this is an unbounded value, QSAR predictions have been conducted in order to give an indication of the log Kow value for dec-1-ene dimers hydrogenated. The predicted log Kow value for dec-1-ene dimers, hydrogenated, is 10.09 (EPIWEB).