Registration Dossier
Registration Dossier
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EC number: 700-380-4 | CAS number: -
Endpoint summary
Administrative data
Description of key information
Additional information
An adsorption/desorption screening study was not initiated since the substance is readily biodegradable and thus decompose rapidly. The logPow is calculated according to QSAR (EPI Suite- KOWWIN v1.67) to be in the range of 11.2 for hexadecyl nonanoate and 12.2 octadecyl nonanoate.
Nevertheless, the adsorption/desorption coefficient for SymMollient® S was calculated with QSAR (EpiSuite - KOCWIN v2.00). Two methods were used (i) MCI method and (ii) logPow method. Result: logKoc: 6.2 and for hexadecyl nonanoate and 6.8 and 7.6 for octadecyl nonanoate, respectively.
Henry´s Law constant / Volatilisation
Based on the vapour pressure of the substance (3*10-5Pa (25°C)), SymMollient® S can safely be considered as non-volatile. In addition, the Henry`s law constant is calculated on the basis of the experimental determination of water solubility and vapour pressure at 2.29 Pa m³/mol. Based on this indicates volatilisation from water or wet surfaces cannot completely ruled out.
Distribution modelling
According to a fugacity model calculation using EpiSuite v4.1 (Fugacity Model Level III), the distribution of both components of SymMollient® S between the environmental compartments air, soil and water is as follows:
C16: soil 75.2 %, sediment 0.162 %, water 23.9%, and air 0.717 %.
C18: soil 76.5 %, sediment 0.054 %, water 22.9%, and air 0.577 %.
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