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EC number: 205-080-2 | CAS number: 132-87-6
Endpoint summary
Administrative data
Description of key information
Adsorption/desorption
The Soil Adsorption Coefficient i.e Koc value of test substance 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 17.3 and 3.42 at pH 0 & 1, and as Koc approx. 1 at pH range 2-14, respectively (log Koc value ranges from 0 - 1.2± 1.0) (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017). This Koc value indicates that the test substance has a 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid has a negligible sorption to soil and therefore have rapid migration potential to groundwater.
Additional information
Adsorption/desorption
Various predicted data for the target compound 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid (CAS No. 132-87-6) were reviewed for the adsorption end point which are summarized as below:
The Soil Adsorption Coefficient i.e Koc value of test substance 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 17.3 and 3.42 at pH 0 & 1, and as Koc approx. 1 at pH range 2-14, respectively (log Koc value ranges from 0 - 1.2± 1.0)(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017). This Koc value indicates that the test substance has a 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid has a negligible sorption to soil and therefore have rapid migration potential to groundwater.
In aprediction done using theKOCWIN 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-(benzoylamino)-4 -hydroxynaphthalene-2 -sulfonic acid (CAS No. 132 -87 -6). The estimated soil adsorption coefficient i.e Koc value of 7 -(benzoylamino)-4 -hydroxynaphthalene-2 -sulfonic acid was estimated to be 647.6 L/kg (log Koc=2.8113) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 7 -(benzoylamino)-4-hydroxy naphthalene-2 -sulfonic acid has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.
In an another prediction done by using ChemSpider Database (2017), theSoil Adsorption Coefficient i.e Koc value of test substance 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid (CAS no. 132 -87 -6) was estimated. The adsorption coefficient (Koc) value of substance 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid was estimated to be 1 at pH 5.5 and 7.4, respectively. This Koc value indicates that the substance 7-(benzoylamino)-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 -(benzoylamino)-4 -hydroxynaphthalene-2 -sulfonic acid (CAS No. 132 -87 -6)was estimated using the SciFinder database (American Chemical Society (ACS), 2017).The estimated soil adsorption coefficient i.e Koc value of 7 -(benzoylamino)-4 -hydroxynaphthalene-2 -sulfonic acid was estimated to be 2.94 and 1 (at 25 deg C). This Koc value indicates that the substance 7 -(benzoylamino)-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 -(benzoylamino)-4 -hydroxynaphthalene-2 -sulfonic acid was estimated to be 585 L/kg (log Koc = 2.767) .The predicted KOC result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.
On the basis of above overall results for target chemical7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid(from ACD labs, EPI suite,ChemSpider, SciFinder database and CompTox Chemistry Dashboard,2017), it can be concluded that the Koc value of test substance 7-(benzoylamino)-4-hydroxynaphthalene-2-sulfonic acid ranges from 1 – 647.6 indicating that the test chemical has a negligible sorption to soil and sediment and therefore have a rapid migration potential to groundwater.
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