Registration Dossier
Registration Dossier
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EC number: 212-842-8 | CAS number: 873-55-2
Endpoint summary
Administrative data
Description of key information
Adsorption / desorption
The Soil Adsorption Coefficient i.e Koc value of test substance Sodium benzenesulfinate was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 23.8 (log Koc=1.4) at pH 1,Koc 6.34 (Log Koc= 0.8) at pH range 2 and Koc 1 (Log Koc=0) at pH range 3-14. This Koc value indicates that the test substance has a negligible sorption to soil and therefore have rapid migration potential to groundwater.
Additional information
Adsorption / desorption
Two results including different predicted data from validated models for adsorption (KOC) endpoint of target chemical Sodium benzenesulfinate (Cas no. 873-55-2) were summarized as follows:
First prediction done by ACD (Advanced Chemistry Development)/I-Lab; Algorithm Version: v5.0.0.184 using Adsorption Coefficient module (v12.1.0.50374) module; 2017 indicate the adsorption coefficient (KOC) of the test substance Sodium benzenesulfinate estimated to be Koc 23.8 (log Koc=1.4) at pH 1,Koc 6.34 (Log Koc= 0.8) at pH range 2 and Koc 1 (Log Koc=0) at pH range 3-14. This Koc value indicates that the test substance has a negligible sorption to soil and therefore have rapid migration potential to groundwater.
Above prediction assist by result From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) indicate the adsorption coefficient i.e KOC for test substance Sodium benzenesulfinate was estimated to be 57 L/kg.The predicted KOC result based on the 5 OECD principles.Thus based on the result it is concluded that the test substance Sodium benzenesulfinate is highly mobile in soil compartment.
Thus based on the above information for adsorption endpoint, it can be concluded that the test substance Sodium benzenesulfinate (Cas no. 873-55-2) is expected to be highly mobile in soil compartment.
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