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EC number: 228-715-5 | CAS number: 6334-97-0
Endpoint summary
Administrative data
Description of key information
Adsorption / desorption
KOCWIN model (v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical 7 -acetamido-4 -hydroxynaphthalene-2 -sulfonic acid (CAS No. 6334 -97 -0). The soil adsorption coefficient i.e Koc value of 7 -acetamido-4 -hydroxynaphthalene-2-sulfonic acid was estimated to be 111.5 L/kg (log Koc=2.0472) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
Additional information
Adsorption / desorption
Various predicted data for the target compound 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid (CAS No. 6334-97-0) were reviewed for the adsorption end point which are summarized as below:
In aprediction done using the KOCWIN Program(v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical 7 -acetamido-4 -hydroxynaphthalene-2 -sulfonic acid (CAS No. 6334 -97 -0). The soil adsorption coefficient i.e Koc value of 7 -acetamido-4 -hydroxynaphthalene-2-sulfonic acid was estimated to be 111.5 L/kg (log Koc=2.0472) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
The Soil Adsorption Coefficient i.e Koc value of test substance 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid (CAS no. 6334 -97 -0) was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 1.84 (log Koc = 0.3 ± 1.0) and approx. 1.0 (log Koc = 0) at pH range 0 and 1-14 respectively(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017). This Koc value indicates that the test substance 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid has a neligible sorption to soil and therefore have rapid migration potential to groundwater.
In an another prediction done by using ChemSpider Database (2017),the Soil Adsorption Coefficient i.e Koc value of test substance 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid (CAS no. 6334 -97 -0) was estimated. The adsorption coefficient (Koc) value of substance 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid was estimated to be 1 (Log Koc = 0) at pH 5.5 and 7.4, respectively. This Koc value indicates that the substance 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid has a negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.
Additional soil adsorption coefficient i.e Koc value of test chemical7 -acetamido-4 -hydroxynaphtha lene-2 -sulfonic acid (CAS No. 6334 -97 -0)was estimated using the SciFinder database (American Chemical Society (ACS), 2017).The soil adsorption coefficient i.e Koc value of 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid was estimated to be 1 (log Koc = 0) (at 25 deg C). This Koc value indicates that the substance 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
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 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid was estimated to be 220 L/kg (log Koc = 2.342).The predicted KOC result based on the 5 OECD principles. This Koc value indicates that the substance 7 -acetamido-4 -hydroxynaph thalene-2 -sulfonic acid has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
On the basis of above overall results for target chemical7-acetamido-4-hydroxynaphthalene-2-sulfonic acid(from EPI suite, ACD labs,ChemSpider, SciFinder database and CompTox Chemistry Dashboard,2017), it can be concluded that the Koc value of test substance7-acetamido-4-hydroxynaphthalene-2-sulfonic acidranges from 1 –220indicating that the test chemical7-acetamido-4-hydroxynaphthalene-2-sulfonic acidhas a negligible to low sorption to soil and sediment and therefore have rapid to moderate migration potential to ground water.
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