Registration Dossier
Registration Dossier
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EC number: 806-726-1 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The partition coefficient n-octanol / water (Kow) of the substance was determined according to OECD guideline no. 117 [2004] and EU test method A.8 [2008] with the HPLC method. Five constituents were separated with values of log Kow = -1.96 (20.1 %), -0.526 (67.5 %); 0.327 (7.47 %); 2.02 (3.04 %): 2.07 (1.84 %) at 23.4 °C. The weighted mean was calculated as log Kow = -0.625.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -0.625
- at the temperature of:
- 23.4
Additional information
QSAR calculations with KowWin v1.67 are possible for the neutral constituents No. 5 (2-hydroxybutyl hexanoate) and No. 6 (1-hydroxybutan-2-yl hexanoate), giving log Kow = 2.27 for both, but not for the ionic structures. This leads to the following tentative assignment:
Signal 5 = 1-hydroxybutan-2-yl hexanoate (constituent 6), log Kow = 2.07 (QSAR 2.27)
Signal 4 = 2-hydroxybutyl hexanoate (constituent 5), log Kow = 2.02 (QSAR 2.27)
Further, the ions of the constituents No. 1 – No. 3 will elute separately, i.e. hexanoate, monobutoxylate of DMA-EMAE, and dibutoxylate of DMA-EMAE. It is not evident which of the three signals in question corresponds to hexanoate, so the assignment of the remaining two signals is uncertain as well.
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