Registration Dossier
Registration Dossier
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EC number: 943-007-2 | CAS number: -
Water solubility
Administrative data
Link to relevant study record(s)
Description of key information
<0.05 mg/L at 20 °C, pH 6.3-6.7 (on the basis of EU A.6 study with the shortest-chain constituent of the substance and QSAR data in a weight of evidence approach)
Key value for chemical safety assessment
Additional information
The water solubility of the homologue series of the fatty acid esters present in different amounts in the substance Fatty acids, C12-18, even numbered, 3-methylbutyl esters, decreases with increasing chain length as determined with ACD Labs software. Even the water solubility for the shortest and therefore most soluble component, the dodecanoic acid, 3-methylbutyl ester (decyl octanoate) is < 0.05 mg/L, as determined experimentally at 20 °C.
QSAR calculation with ACD/Labs 2014 Release (Build 2726. 5 May 2014) for 4 main components of the UVCB substance, pH in the range from 4 to 9:
C12 FA component: 1.294 mg/L
C14 FA component: 0.026 mg/L
C16 FA component: 0.004 mg/L
C18 FA component: 0.001 mg/L
On the basis of the QSAR data and of the experimental data for C12 FA component, the water solubility is deduced to be < 0.05 mg/L.
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