Registration Dossier
Registration Dossier
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EC number: 939-717-7 | CAS number: 1474044-79-5
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
This endpoint is based on a QSAR for Calcium bis( di C8-C10, branched,
C9 rich, alkylnaphthalene sulphonate).
Results of HPLC testing (OECD 121) demonstrated the method was not
suitable for Calcium DNNSA which is consistent with the guideline
caution that the method may be inappropriate for surface acting
compounds and low solubility "difficult substances".
The log Koc for Calcium DNNSA that will be used for the environmental
assessment will be 5.18, the average of the 2 values estimated by QSAR
modeling.
Key value for chemical safety assessment
- Koc at 20 °C:
- 150 000
Additional information
There are experimental and QSAR approaches for the determination of the Soil Adsorption Coefficient (Koc). REACH guidance (Chapter R.7a, 2012) indicates that calculation and read-across should be the first step in estimating the Koc. No similar compounds were found which would provide read-across for Calcium DNNSA. The Guidance document (Chapter R.7a, 2012) recommends estimates be made using multiple models for a sensitivity check, therefore, a calculation of the Koc was conducted using the EPIWIN model KOCWIN and the models developed by Sabljic et al. (1995) which are described in TGD Part III (2003) and utilized by EUSES.
Results of HPLC testing (OECD 121) demonstrated the method was not suitable for Calcium DNNSA which is consistent with the guideline caution that the method may be inappropriate for surface acting compounds and low solubility "difficult substances". In accordance with REACH guidance indicating that “Estimated values are essential for substances for which experimental measurement is not feasible i.e. for difficult substances”, the log Koc for Calcium DNNSA that will be used for the environmental assessment will be 5.18, the average of the 2 values estimated by modeling.
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