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EC number: 947-849-1
CAS number: -
For detailed information on the results please refer to the attached
log Koc > 5.0 (EPI Suite v4.11, KOCWIN v2.00, MCI method, 25 °C)
There are no experimental studies available, in which the
adsorption potential ofFatty acids, C16, C18 and C18-unsaturated, C12-15
alcohol (linear and branched), esters to particles in soil and sediment
was assessed. Therefore, the log Koc was calculated by (Q)SAR (EPI Suite
v4.11) using the KOCWIN v2.00 model both based on the Molecular
Connectivity Index (MCI) and the log Kow method, the latter of which
requires the log Kow (> 10.0, KOWWIN v1.1.4) as input parameter. The
calculations were performed for four representative constituents of the
substance representing the boundaries of the substance properties.
Since all constituents only partially fall within the
applicability domain of both methods due to the high, estimated log Kow
(> 8.12/8.68, the limits of the applicability domain for log Kow of the
two methods, KOWWIN v1.68), the reported results are not fully reliable
but may serve as an indication of possible trends.
The obtained log Koc estimates ranged from 7.02 to 8.33 based on
the MCI method. The log Koc estimates obtained by the log Kow method
ranged from 7.86 to 9.10. Both models indicate a high potential for
sorption to particles of soil and sediment, which is in line with the
high estimated log Kow and poor water solubility. The slightly lower log
Koc obtained by the MCI method is the worst case for the aquatic
compartment and is retained as key value.
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