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Physical & Chemical properties

Partition coefficient

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Description of key information

MTDID 44430 is a mixture of dodecyl acrylate isomers.The partition coefficient (Kow) was determined forisomers having a purity of greater than 10%. Under the conditions of this study, the average measured Kow of the 2-dodecyl acrylate isomer is 3910000 (RSD=57%) and the average Kow of the 3-dodecyl acrylate isomer is 3200000 (RSD=62%). The calculated log Kow is 6.6 for the 2-dodecyl acrylate isomer and 6.5 for the 3-dodecyl acrylate isomer.

Key value for chemical safety assessment

Log Kow (Log Pow):
6.5
at the temperature of:
24.7 °C

Additional information

The n-Octanol/Water Partition Coefficient (Kow) of MTDID 44430 was determined according to U.S EPA guidance document OPPTS 830.7550 "Partition Coefficient (n-Octanol/Water), Shake Flask Method".

Duplicate test vessels of three different volume ratios (1:1, 1:2, and 2:1) of MTDID 44430 dosed n-octanol to water were prepared. The test vessel preparation was repeated on a later date, resulted in 4 test vials for each ratio. The samples were rotated 180 ° about their transverse axis for 100 rotations for five minutes to ensure proper mixing of the test system solvents. The samples were then centrifuged at 1000 RPM for at least 30 minutes to ensure a visibly clear separation of layers, prior to removing n-octanol and the aqueous sample analysis aliquots. Duplicate n-octanol aliquots were removed first from each vial and diluted with methanol. After the n-octanol aliquot removal, duplicate water aliquots were removed and extracted with methylene chloride. All samples were analyzed using gas chromatography/mass spectrometry (GC/MS).

MTDID 44430 is a mixture of dodecyl acrylate isomers. The partitioning coefficients were determined based on measured concentrations in n-octanol and water phase for 2-dodecyl acrylate isomer, and 3-dodecyl acrylate isomer. Under the conditions of this study, the average measured Kow of the 2-dodecyl acrylate isomer is 3910000 (RSD=57%) and the average Kow of the 3-dodecyl acrylate isomer is 3200000 (RSD=62%). The calculated log Kow is 6.6 for the 2-dodecyl acrylate isomer and 6.5 for the 3-dodecyl acrylate isomer. 

This is a guideline study and conducted under GLP. The Kow were measured for components present at >10% purity. However, the Nernst partition law applies strictly to a pure substance dispersed between two pure solvents and when the concentration of the solute in either phase is not more than 0.01 M. If several different solutes occur in one or both phases at the same time, this may affect the partition coefficient results. Additionally, the %RSD of measured Kow for the two isomers were > 50%. Therefore, it is considered reliable with restriction and a key study. This study is pertinent to the fate of MTDID 44430 and may be used for Risk Assessment, Classification & Labelling, and PBT Analysis.