Registration Dossier
Registration Dossier
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EC number: 278-503-1 | CAS number: 76622-74-7
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
log Koc = 2.63 (pH 7, ChemProp v6.4, Franco, Fu & Trapp 2009 for ionisable substances)
Key value for chemical safety assessment
- Koc at 20 °C:
- 422.18
Additional information
There is no study available investigating the log Koc of Potassium (Z)-N-methyl-N-(1-oxo-9-octadecenyl) aminoacetate (CAS 76622-74-7). Therefore, the log Koc was calculated by the Franco, Fu and Trapp (2009) model for ionisable acids at the environmentally relevant pH values 4, 7, and 9.
The model input parameters are the pH value (4, 7, and 9), the pKa value (3.96, SPARC v4.6) and the log Pn, corresponding to the log Kow for the neutral molecule (6.83, EPI Suite 4.11, KOWWIN v1.68). The substance fell within the applicability domain of the model (pKa and log Kow), which yielded a log Koc of 4.63 at pH = 4, 2.63 at pH = 7, and 2.30 at pH = 9. The results indicate that the lipophilicity of the substance increases as the pH decreases, which is in line with the pKa profile of the substance. The log Koc of 2.63 at pH 7 is retained for the derivation of PNECs.
[LogKoc: 2.63]
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