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EC number: 202-534-1 | CAS number: 96-78-6
Endpoint summary
Administrative data
Description of key information
Adsorption /desorption:
The Soil Adsorption Coefficient i.e Koc value of 5-acetamido-2-aminobenzenesulphonic acid (CAS No: 96-78-6) was estimated using EPI suite KOCWIN Program (v2.00) as 10 L/kg (log Koc=1.0) by means of MCI method at 25 deg.C. This Koc value indicates that the substance5-acetamido-2-aminobenzenesulphonic acid has a negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.
Additional information
Adsorption /desorption:
Various predicted data for the target compound of 5-acetamido-2-aminobenzenesulphonic acid (CAS No: 96-78-6) were reviewed for the adsorption end point which are summarized as below:
The Soil Adsorption Coefficient i.e Koc value of 5-acetamido-2-aminobenzenesulphonic acid (CAS No: 96-78-6) was estimated using EPI suite KOCWIN Program (v2.00) as 10 L/kg (log Koc=1.0) by means of MCI method at 25 deg.C.
Another predicted Soil Adsorption Coefficient i.e Koc value of test substance 5-acetamido-2-aminobenzenesulphonic acid (CAS no. 96-78-6) was estimated using Adsorption Coefficient module (v12.1.0.50374) program of (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017 as Koc 1 dimensionless (log Koc= 0).
Next prediction done by using Sci Finder database of ACS (American Chemical Society, 2017) the soil adsorption co-efficient i.e., Koc value of test chemical 5-acetamido-2-aminobenzenesulphonic acid (CAS no. 96-78-6) estimated was 1 dimensionless (log Koc =0) at pH 1-10 at temperature 25 deg.C.
Using Chemspider-ACD/Phy chem suite the soil adsorption co-efficient i.e., Koc value of test substance 5-acetamido-2-aminobenzenesulphonic acid (CAS no.96 -78 -6) was estimated to be 1 dimensionless (log Koc=0) at pH 5.5 and 7.4 and temperature 25 deg.C
Last predicted Koc value estimated 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) the adsorption coefficient i.e KOC for test substance 5-acetamido-2-aminobenzenesulphonic acid (CAS no. 96-78-6) estimated was 123 L/kg (log Koc = 2.08).The predicted KOC result is based on the 5 OECD principles.
On the basis of above results for target chemical substance 5-acetamido-2-aminobenzenesulphonic acid (CAS no. 96 -78 -6) (from EPI suite, ACD labs, Sci Finder database, Chemspider and CompTox Chemistry Dashboard 2017) it can be concluded that the Koc value of test substance 5-acetamido-2-aminobenzenesulphonic acid ranges from 1 to 123 dimensionless (log Koc range =0-2.08) Thus by considering Koc value range it is concluded that the test substance 5-acetamido-2-aminobenzenesulphonic acid has a negligible to low sorption to soil and sediment and therefore have rapid to moderate migration potential to ground water.
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