Registration Dossier
Registration Dossier
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EC number: 232-395-2 | CAS number: 8013-75-0 A combination of amyl alcohols, primarily isoamyl alcohol and 2-methyl-1-butanol. Other alcohols, acids, esters and aldehydes may also be present.
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
Fusel oil: log Pow >-1.26 to <-0.14
Key value for chemical safety assessment
Additional information
The value for partition coefficient log Pow of fusel oil is based on a weight of evidence using experimental data and QSAR results for the main components of the substance. Due to the complex nature of the UVCB substance not all components of the substance are known, but the QSAR prediction values for the main components; ethanol (CAS 64-17-5), 2-methylpropan-1-ol (CAS-78-83-1), 3-methylbutan-1-ol (CAS 123-51-3) and 2-methylbutan-1-ol (CAS 137-32-6) have been calculated.
The experimental (literature) partition coefficient values of log Pow for ethanol range from -0.3 to -0.35. The QSAR prediction values for: ethanol, 2-methylpropan-1-ol, 3-methylbutan-1-ol and 2-methylbutan-1-ol are -0.14, -0.77, -1.26 and -1.26 respectively.
All available results for Kow lie between a range of >-1.26 to <-0.14. Since the relative proportions of the main constituents of fusel oil can vary significantly, the log Kow of fusel oil is expected to be higher than the lowest Log Kow and lower than the highest Log Kow.
Therefore a log Pow of > -1.26 to < -0.14 is accepted for the chemical safety assessment.
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