3-amino-5-hydroxynaphthalene-2,7-disulphonic acid

Endpoint summary

Description of key information

Biodegradation:

Biodegradation in water:

Biodegradability of test chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid is predicted using OECD QSAR tool box v.3.4 using log kow as primary descriptor. The test chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid showed 0.366 % biodegradation by considering BOD as parameter and microorganisms as inoculums in 28 days. By this value of percent biodegradation the test chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid is considered to be not readily biodegradable.

Biodegradation in water and Sediment:

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS No: 90-40-4) .If released in to the environment, 11.5% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of the chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic 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 3-amino-5-hydroxynaphthalene-2, 7-disulfonic acid in sediment is estimated to be 337.5 days (8100 hrs).  However, as the percentage release of test chemical into the sediment is less than 2% (i.e, reported as 1.01%), indicates that test chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid is not persistent in sediment.

Biodegradation in Soil:

The half-life period of 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS No: 90-40-4) 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, 87.5 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of test chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic 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 in aquatic and sediments:

From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS No: 90-40-4) is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that the test chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic 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 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

Biodegradation:

Biodegradation in water:

Predicted data for the target compound 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS No.90-40-4) 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 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid is predicted using OECD QSAR tool box v.3.4 using log kow as primary descriptor. The test chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid showed 0.366 % biodegradation by considering BOD as parameter and microorganisms as inoculums in 28 days. By this value of percent biodegradation the test chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid is considered to be not readily biodegradable.

Another prediction done by using Estimation Programs Interface Suite (EPI suite, 2017) to predict the biodegradation potential of the test chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid(CAS No: 90-40-4) 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 chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic acidis not readily biodegradable.

In the supporting weight of evidence study from authoritative database (J check, 2017) of read across chemical dipotassium7-hydroxynaphthalene-1, 3-disulfonate (CAS no. 842-18-2) was subjected to biodegradation test by taking sludge as inoculums at 30 mg/L concentration. Biodegradation was analysed by using BOD parameter. The initial concentration of read across chemical was 100 mg/L and study design is of standard type. After 4 weeks read cross chemical showed 0% biodegradation by BOD parameter so it is concluded that it is not readily biodegradable.

In another supporting weight of evidence study from authoritative database (J check, 2017) the read across chemical Sodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate (CAS no. 5460-09-3) was subjected to biodegradation test by taking sludge as inoculums at 30 mg/L concentration. Biodegradation was analyzed by using O2 consumption (BOD), TOC removal and test material analysis by UV vis parameter. The initial concentration of read across chemical was 100 mg/L and study design is of standard type. After 2 weeks (14 days) read across chemical Sodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate showed 0% biodegradation by O2 consumption (BOD) parameter, 5 % biodegradation by TOC removal parameter and less than 0 % biodegradation by test material analysis by UV Vis parameter in 14 days. So it is concluded that this read across chemical is not readily biodegradable.

 

On the basis of above results for target chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS No: 90-40-4) from ( EPI suite 2017 and OECD QSAR tool box v3.3 2017) and for its read across substances ( from authoritative database) the target chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid can be expected to be not readily biodegradable.

Biodegradation in water and Sediment:

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS No: 90-40-4) .If released in to the environment, 11.5% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of the chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic 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 3-amino-5-hydroxynaphthalene-2, 7-disulfonic acid in sediment is estimated to be 337.5 days (8100 hrs).  However, as the percentage release of test chemical into the sediment is less than 2% (i.e, reported as 1.01%), indicates that test chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid is not persistent in sediment.

Biodegradation in Soil:

The half-life period of 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS No: 90-40-4) 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, 87.5 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of test chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic 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 in aquatic and sediments:

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

In a prediction done by using BCFBAF Program (v3.00) model of EPI suite ( Estimation Program Interface, 2017) the estimated bio concentration factor (BCF) for 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS No: 90-40-4) is 3.162 L/kg wet-wt.

 

Next 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 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS no.90-40-4) estimated to be 1 dimensionless.

 

The Bioconcentration factor (BCF) for test chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS No:90-40-4) was predicted in aquatic organisms by Scifinder database of ACS ( American Chemical Society, 2017) at pH 1-10 and temperature 25 °C .The Bioconcentration factor (BCF) of test substance 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid at pH 1-10 and temperature 25 °C was estimated to be 1 dimensionless.  

 

Using Chemspider-ACD/Phychem suite prediction model the bioconcentration factor (BCF) for target chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS No: 90-40-4) was estimated to be 1 dimensionless at pH 5.5 and 7.4 at temperature 25 deg. C.

 

One more predicted data 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 bioaccumulation i.e BCF for test substance 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS no.90-40-4) was estimated to be 2.46 dimensionless the predicted BCF result based on the 5 OECD principles.

 

 In a supporting weight of evidence study from authoritative database (J Check, 2017) Bioaccumulation test was conducted for 6 weeks for determination the bioconcentration factor (BCF) of read across chemical Sodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate (CAS no 5460-09-3) on test organism Cyprinus carpio. Nominal concentrations used in the study as - 1st Concentration area: 2 mg/L, 2nd Concentration area: 0.2 mg/L and Range finding study was carried out on Rice fish (Oryzias latipes) TLm(48h) 880 ppm(w/v). Thus according to static Fish Test the BCF value for read across substance Sodium 5-amino-4-hydroxy-7-sulfonaphthalene-2-sulfonate was observed to be ≤ 0.3 L/kg at dose concentration 2 ppm(w/v) and ≤ 2.9 L/kg at dose concentration 0.2 ppm(w/v) on test organism Cyprinus carpio during 6 weeks period.

 

 In another supporting weight of evidence study from same authoritative database as mentioned above Bioaccumulation test was conducted for 6 weeks for determination the bioconcentration factor (BCF) of read across substance dipotassium 7-hydroxynaphthalene-1,3-disulfonate (CAS no 842-18-2) on test organism Cyprinus carpio. Nominal concentrations used in the study as 1st Concentration area: 1 ppm(w/v), 2nd Concentration area: 0.1 ppm(w/v) and Range finding study was carried out on Rice fish (Oryzias latipes) TLm (48h) = 1000 ppm(w/v). Thus according to static Fish Test the BCF value for read across substance dipotassium 7-hydroxynaphthalene-1,3-disulfonate was observed to be ≤0.1 L/kg at dose concentration 1.0 mg/L and ≤ 1.0 L/kg at dose concentration 0.1 mg/L on test organism Cyprinus carpio during 6 weeks period.

 

By compiling all above results for target chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid (CAS No: 90-40-4) (from EPI suite, ACD labs, Sci-Finder database, CompTox Chemistry Dashboard and ChemSpider, 2017) and for its read across substance from authoritative database (J check, 2017) it can be concluded that the BCF value of test substance 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid ranges from 1 to 3.162 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 3-amino-5-hydroxynaphthalene-2,7-disulfonic acid is not expected to bioaccumulate in the food chain.

Transport and Distribution:

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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