Registration Dossier
Registration Dossier
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EC number: 270-156-4 | CAS number: 68411-97-2
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
log Koc = 3.38 (pH 4, 25 °C, Franco, Fu and Trapp)
log Koc = 2.07 (pH 7, 25 °C, Franco, Fu and Trapp)
log Koc = 2.02 (pH 9, 25 °C, Franco, Fu and Trapp)
Key value for chemical safety assessment
- Koc at 20 °C:
- 116.38
Additional information
No experimental studies are available, in which the adsorption/desorption potential of Glycine, N-methyl-, N-coco acyl derivatives (CAS 68411-97-2) was assessed. Therefore, the log Koc was calculated by QSAR at the environmentally relevant pH values of 4, 7, and 9 using ChemProp v6.5 (Franco, Fu and Trapp, acid model). Since the substance is a UVCB the log Koc was calculated for its two main constituents Myristoyl sarcosine (CAS 52558-73-3) and Lauroyl sarcosine (CAS 97-78-9). The model input parameters are the pH (4, 7, and 9), the pKa value (3.96 for both molecules, (QSAR, SPARC, v4.6) and the log Pn (4.4, 23 °C, OECD 117, HPLC method), corresponding to the log Kow of the non-ionized form.
The molecules lie within the applicability domain of the model (pKa and log Kow ranges) and the results were identical for both molecules. The predicted log Koc is 3.38 at pH 4 (Koc = 2423.57 L/kg), 2.07 at pH 7 (Koc = 116.38 L/kg) and 2.02 at pH 9 (Koc = 105.79 L/kg), indicating a moderate potential for adsorption to particles in soil and sediment at the environmentally relevant pH of 7. The log Koc at pH 7 is retained as key value and indicates that the substance is moderately mobile in water at pH 7 and above.
[LogKoc: 2.07]
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