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Environmental fate & pathways

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Description of key information

Biodegradation:

Biodegradation in water:

Biodegradability of test chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS No: 25251-42-7) is predicted using OECD QSAR tool box v.3.3 using log Kow as primary descriptor. The test chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid showed 4.48 % biodegradability by considering BOD as parameter and microorganisms as inoculum in 28 days. Since percent biodegradability is very low it is concluded that this test chemical is not readily biodegradable.

Biodegradation in water and sediments:

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS No: 25251-42-7). If released in to the environment, 9.59 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of the chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is low whereas the half-life period of 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid in sediment is estimated to be 337.5 days (8100 hrs). Based on this half-life value, it indicates that 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid is persistent in sediment.

Biodegradation in Soil:

The half-life period of 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS No: 25251-42-7) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 80.5 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of test chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.

Bioaccumulation:

Bioaccumulation: aquatic/sediments:

From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS No: 25251-42-7) is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that the test chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid is not expected to bio accumulate in the aquatic environment.

Transport and distribution:

Adsorption/desorption:

The Soil Adsorption Coefficient i.e Koc value of test substance 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS no. 25251-42-7) was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 1.0 dimensionless (log Koc= 0.0). This log Koc value indicates that the test substance 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid has a negligible sorption to soil and therefore have rapid migration potential to groundwater.

Additional information

Biodegradation:

Biodegradation in water:

Predicted data for the target compound 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS No: 25251-42-7) and supporting weight of evidence studies for its read across substance were reviewed for the biodegradation end point which are summarized as below:

Biodegradability of test chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS No: 25251-42-7) is predicted using OECD QSAR tool box v.3.3 using log Kow as primary descriptor. The test chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid showed 4.48 % biodegradability by considering BOD as parameter and microorganisms as inoculum in 28 days. Since percent biodegradability is very low it is concluded that this test chemical is not readily biodegradable.

Another prediction done by using Estimation Programs Interface Suite (EPI suite, 2017) to estimate the biodegradation potential of the test chemical4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid(CAS No: 25251-42-7) in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acidis not readily biodegradable.

In a supporting weight of evidence study from Authoritative database (J Check, 2017) of read across chemical 4-hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid (CAS no.119-40-4) biodegradation experiment was carried out by taking sludge as inoculums. Biodegradation was analyzed by using three parameters that are O2 consumption, DOC removal and test material analysis by HPLC. The biodegradation test was conducted for 4 weeks (28 days).The read across chemical 4-hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid showed 0 % degradation by O2 consumption parameter and test material analysis by HPLC parameter and 2 % degradation by DOC removal parameter in 28 days. So it is concluded that read across chemical 4-hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid is not readily biodegradable.

In another supporting weight of evidence study from same source as mentioned above ( J Check, 2017) of read across chemical 6-Amino-4-hydroxy-2-naphthalenesulfonic Acid (CAS no. 90-51-7) biodegradation experiment was carried out by taking sludge as inoculums at concentration of 30 mg/L. Biodegradation was analyzed by using three parameters that are O2 consumption (BOD), TOC removal and test material analysis by UV vis . The biodegradation test was conducted for 2 weeks (14 days). The initial concentration of read across chemical used was 100 mg/L and test equipments used were of standard type. The test chemical 6-Amino-4-hydroxy-2-naphthalenesulfonic Acid showed 5.3 % degradation by O2 consumption (BOD) parameter, 0.4 % degradation by TOC removal parameter and less than 0.0% degradation by test material analysis by UV vis parameter in 14 days.So it is concluded that read across chemical 6-Amino-4-hydroxy-2-naphthalenesulfonic Acid is not readily biodegradable.

On the basis of above results for target chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS No: 25251-42-7)from (EPI suite 2017 and OECD QSAR tool box v3.3 2017) and for its read across substances (from authoritative database) the target chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid expected to be not readily biodegradable.

Biodegradation in water and sediments:

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS No: 25251-42-7). If released in to the environment, 9.59 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of the chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is low whereas the half-life period of 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid in sediment is estimated to be 337.5 days (8100 hrs). Based on this half-life value, it indicates that 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid is persistent in sediment.

Biodegradation in Soil:

The half-life period of4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid(CAS No: 25251-42-7) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 80.5 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acidin soil is estimated to be 75 days (1800 hrs). Based on this half-life value of test chemical4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.

Bioaccumulation:

Bioaccumulation: aquatic/sediments:

Various predicted data for the target compound 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS No: 25251-42-7) and supporting weight of evidence study for its read across chemical were reviewed for the bioaccumulation end point which are summarized as below:

In a prediction done from BCFBAF Program (v3.00) model of EPI suite (Estimation Program Interface, 2017) the estimated bio concentration factor (BCF) for 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS No: 25251-42-7) is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.

Another prediction done by using Bio-concentration Factor (v12.1.0.50374) module of ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017 Bio-concentration Factor at range pH 1-14  of the chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS no. 25251-42-7) estimated to be 1.0 dimensionless.

Next prediction done by using SciFinder database of ACS (American Chemical Society, 2017) to estimate Bioconcentration factor (BCF) for test chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS No: 25251-42-7) in aquatic organisms at pH 1-10 and temperature 25 °C .The Bioconcentration factor (BCF) of test substance 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid at pH 1-10 and temperature 25 °C was estimated to be 1.0 dimensionless.

Fourth prediction done by using Chemspider- ACD/PhysChem Suite of Royal Society of Chemistry, 2017 to estimate Bioconcentration factor (BCF) of test chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS No: 25251-42-7) in aquatic organisms by  at pH 5.5 and pH 7.4.The Bioconcentration factor (BCF) of test substance 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid  at pH 5.5 and pH 7.4 was estimated to be 1.0 dimensionless.

Last prediction done 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 bioaccumulation i.e BCF for test substance 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS no.25251-42-7) was estimated to be 2.24 dimensionless it is based on the 5 OECD principles.

In a supporting weight of evidence study from authoritative database (JCheck, 2017)conducted for 6 weeks for determination the bioconcentration factor (BCF) ofread acrosschemical 6-Amino-4-hydroxy-2-naphthalenesulfonic Acid (CAS no 90-51-7) on test organism Cyprinus carpio. Nominal concentrations used was 1st Concentration area: 1.0 mg/L (w/v), 2nd Concentration area: 0.1 mg/L (w/v) and Range finding study was carried out on Rice fish (Oryzias latipes) TLm(48h) 335 ppm(w/v).Thus according to static Fish Test the BCF value 6-Amino-4-hydroxy-2-naphthalenesulfonic Acid was observed to be 0.1-0.5 L/kg at dose concentration 1.0 mg/L and 1-7.1 L/kg at dose concentration 0.1 mg/L on test organism Cyprinus carpio during 6 weeks period. These BCF values indicate that theread acrosssubstance 6-Amino-4-hydroxy-2-naphthalenesulfonic Acid is not bioaccumulative in fish and food chain as these values are far less than 2000 criteria.

On the basis of above results for target chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS no.25251-42-7) (from EPI suite, ACD labs, Scifinder chemspider and CompTox Chemistry Dashboard 2017) and its read across chemical ( from J check) it can be concluded that the BCF value of test 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid ranges from 1.0 to 7.1 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid is expected to be non-bioaccumulative in the food chain.

Transport and distribution:

Adsorption/desorption:

Various predicted data for the target compound 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS no. 25251-42-7) were reviewed for the Adsorption end point which are summarized as below.

The Soil Adsorption Coefficient i.e Koc value of test substance 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid( CAS no. 25251-42-7) was estimated using Adsorption Coefficient module (v12.1.0.50374) program of ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017 as Koc 1.0 dimensionless (log Koc= 0.0).

In a prediction done by using Sci Finder database of ACS (American Chemical Society, 2017) to estimate soil adsorption co-efficient i.e., Koc value of test chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS no.25251-42-7) was estimated to be 1.0 dimensionless ( log Koc = 0.0) at pH 1-10 at temperature 25 deg.C.

Another prediction done by using Chemspider-ACD/Phy chem suite of Royal Society of Chemistry, 2017 the soil adsorption co-efficient i.e., Koc value of test substance4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS no 25251-42-7) was estimated to be 1.0 dimensionless (log Koc= 0.0) at pH 5.5 and 7.4 and temperature 25 deg. C.

Last prediction done 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 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS no.25251-42-7) was estimated to be 96.6 L/kg (log Koc = 1.98) it is based on the 5 OECD principles.

On the basis of above results for target chemical substance 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS no. 25251-42-7) (from ACD labs, Sci Finder database, Chemspider and Comptox Chemistry dashboard 2017) it can be concluded that the Koc value of test substance 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid ranges from 1 to 96.6 dimensionless (log Koc range =0.0 – 1.9) Thus by considering log Koc value range it is concluded that the test substance 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid has a negligible to low sorption to soil and sediment and therefore have rapid to moderate migration potential to ground water.