Registration Dossier
Registration Dossier
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EC number: 223-362-3 | CAS number: 3855-32-1
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
The adsorption/desorption coefficient of the substance was estimated to be Koc = 5.358 L/g (log Koc = 0.7290), based on estimation from an experimentally-determined partition coefficient. In addition, a laboratory test method reported a Koc value > 427,000 (log Koc > 5.63) for the ionised form of the substance. The modeled value was selected as the key value, since it represents a conservative assumption with respect to equilibrium partitioning (i.e., greater partitioning to pore water) when soil and sediment toxicity is predicted on the basis of aquatic toxicity.
Key value for chemical safety assessment
- Koc at 20 °C:
- 5.358
Additional information
In the 2013 study entitled “Estimation of the adsorption coefficient (Koc) of POLYCAT® 77 Catalyst using high performance liquid chromatography (HPLC)” the log Kocof the ionized form of the substance was determined to be > 5.63 (Koc> 427,000). Although the substance was reported as more than 10% ionised within the pH range of 5.5 - 7.5, testing of both the ionised and non-ionised forms was not conducted; the laboratory reported that it did not test the substance in the non-ionised form (i.e., at pH 11.9), since testing was not possible using a silica-based HPLC column. Therefore, the Kocof the non-ionised form was predicted using EPI Suite version 4.10, from the U.S. Environmental Protection Agency (EPA), a validated QSAR program which is part of the OECD (Q)SAR Toolbox. The adsorption/desorption coefficient of the substance was estimated to be Koc= 5.358 L/g, or log Koc= 0.7290, based on an experimentally-determined partition coefficient (log Kow= 0).The Kocvalue reported on the laboratory HPLC method (i.e., the ionized form of the substance) is substantially higher than the modeled Kocvalue for the non-ionised form of this substance. Both studies are reported as key studies, but the modeled value has been selected as the key value for purposes of equilibrium partitioning. The modeled value for Kocwill predict greater partitioning to pore water and result in lower (more conservative) values for any Predicted No-Effect Concentration for soil or sediment derived on the basis of aquatic toxicity and equilibrium partitioning.
[LogKoc: 0.729]
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