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Partition coefficient

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Description of key information

Partition coefficient data were not available for any of the streams within this Category. However, data were read across from the main hydrocarbon C4 constituents in this Category. The representative constituents of the category studied and used as supporting read-across are But-1-en-3-yne (CAS 689-97-4), But-1-ene (CAS 106-98-9), But-2-ene, cis- (CAS 590-18-1), But-2-ene, trans- (CAS 624-64-6), Buta-1,2-diene (CAS 590-19-2), Buta-1,3-diene (CAS 106-99-0), Butane (CAS 106-97-8), Prop-1-ene, 2-methyl- (CAS 115-11-7), and Propane, 2-methyl- (CAS 75-28-5).


The partition coefficients presented in the dossier are compilation of QSAR data and data from peer review handbooks. KOWWIN v1.68 model of Epi Suite has been used as key QSAR. No information on the test methods used is available in the handbooks; however, as the information is taken from peer reviewed handbooks and it can be considered reliable and suitable for use as the key study for this endpoint.


The partition coefficients of the representative constituents of this Category range from 1.40 to 2.89.

Key value for chemical safety assessment

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