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Adsorption/Desorption:

The Soil Adsorption Coefficient i.e Koc value of test substance 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid ( CAS no. 90 -40 -4) was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 1 dimensionless (log Koc= 0). This log 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:

Various predicted data for the target compound 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid ( CAS no. 90-40-4) and a supporting weight of evidence study of its read across chemical were reviewed for the adsorption end point which are summarized as below:

The Soil Adsorption Coefficient i.e Koc value of test substance 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid ( CAS no. 90 -40 -4) was estimated using Adsorption Coefficient module (v12.1.0.50374) of ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017) module program as Koc 1 dimensionless (log Koc= 0). This log Koc value indicates that the test substance has a negligible sorption to soil and therefore have rapid migration potential to groundwater.

 

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 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS no. 90-40-4) was estimated to be 1 ( log Koc =0) at pH 1-10 at temperature 25 deg.C. This Koc value at all range of pH condition indicates that the substance 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid has negligible sorption to soil and sediment therefore have rapid migration to ground water.

 

Another prediction done by using Chemspider-ACD/Phy chem suite the soil adsorption co-efficient i.e., Koc value of test substance 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS no.90-40-4) was estimated to be 1 ( log Koc=0) at pH 5.5 and 7.4 and temperature 25 deg.C This Koc value at different pH indicates that the chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid has negligible sorption to soil and sediment and therefore rapid migration to ground water.

 

One more predicted value obtained 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 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS no. 90-40-4) was estimated to be 115 L/kg (log Koc = 2.06) .The predicted KOC result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.

 

In a supporting weight of evidence study from authoritative database ( HSDB, 2017) The Koc value for read across chemical disodium 7-hydroxy-8-[(E)-2-phenyldiazen-1-yl]naphthalene-1,3-disulfonate (CAS no.1936-15-8) is estimated by using using estimated log Kow -4.56 and regression derived eqation. The estimated Koc value is 0 dimensionless and log Koc is infinity this log  Koc value suggests that disodium 7-hydroxy-8-[(E)-2-phenyldiazen-1-yl]naphthalene-1,3-disulfonate is expected  to have negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.

 

On the basis of above overall results for target chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (from ACD labs, SciFinder, ChemSpider database and CompTox Chemistry Dashboard,2017), it can be concluded that the Koc value of test substance 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid ranges from 1 to115 dimensionless ( log Koc range= 0 to 2.06) indicating that the test chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid has a negligible to low sorption to soil and sediment and therefore have a rapid to moderate migration potential to groundwater.

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