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Environmental fate & pathways

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Description of key information

Biodegradation:

Biodegradation in water:

Biodegradability of test chemical 5-acetamido-2-aminobenzenesulphonic acid (CAS no. 96-78-6) is predicted using OECD QSAR tool box v.3.4 using log Kow as primary descriptor. Percent biodegradation of test chemical 5-acetamido-2-aminobenzenesulphonic acid estimated was 10.5 % by considering BOD as parameter and microorganisms as inoculum in 28 days. Therefore it is concluded that test chemical 5-acetamido-2-aminobenzenesulphonic acid 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 5-acetamido-2-aminobenzenesulphonic acid (CAS No: 96-78-6). If released in to the environment, 35 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of the chemical 5-acetamido-2-aminobenzenesulphonic 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 5-acetamido-2-aminobenzenesulphonic 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 1% (i.e, reported as 0.0835 %), indicates that test chemical 5-acetamido-2-aminobenzenesulphonic acid is not persistent in sediment.

Biodegradation in soil:

The half-life period of5-acetamido-2-aminobenzenesulphonic acid(CAS No: 96 -78 -6) 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, 64.9 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical5-acetamido-2-aminobenzenesulphonic acidin soil is estimated to be 75 days (1800 hrs). Based on this half-life value of test chemical 5-acetamido-2-aminobenzenesulphonic 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 / sediment:

From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for 5-acetamido-2-aminobenzenesulphonic acid (CAS No: 96-78-6) is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that the test chemical 5-acetamido-2-aminobenzenesulphonic acid is not expected to bioaccumulate in the aquatic environment.

Transport and distribution:

Adsorption /desorption:

The Soil Adsorption Coefficient i.e Koc value of 5-acetamido-2-aminobenzenesulphonic acid (CAS No: 96-78-6) was estimated using EPI suite KOCWIN Program (v2.00) as 10 L/kg (log Koc=1.0)  by means of MCI method at 25 deg.C. This Koc value indicates that the substance 5-acetamido-2-aminobenzenesulphonic acid has a negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.

Additional information

Biodegradation:

Biodegradation in water:

Predicted data for the target compound 5-acetamido-2-aminobenzenesulphonic acid (CAS No: 96-78-6) 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 5-acetamido-2-aminobenzenesulphonic acid (CAS no. 96-78-6) is predicted using OECD QSAR tool box v.3.4 using log Kow as primary descriptor. Percent biodegradation of test chemical 5-acetamido-2-aminobenzenesulphonic acid estimated was 10.5 % by considering BOD as parameter and microorganisms as inoculum in 28 days. Therefore it is concluded that test chemical 5-acetamido-2-aminobenzenesulphonic acid is not readily biodegradable.

 

Another prediction done by using Estimation Programs Interface Suite (EPI suite, 2017) to predict the biodegradation potential of the test chemical 5-acetamido-2-aminobenzenesulphonic acid (CAS No: 96 -78 -6) 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 5-acetamido-2-aminobenzenesulphonic acid is not readily biodegradable.

 

In a supporting weight of evidence study for read across chemical 3-Aminobenzene sulphonic acid (CAS no. 121-47-1) from authoritative database (J Check, 2017) biodegradation test was conducted by taking sludge as inoculums at 30 mg/L concentration. Biodegradation was analyzed by using three parameters that are O2 consumption (BOD), TOC removal and test material analysis by UV vis. The initial concentration of read across chemical was 100 mg/L and equipment used in the study used was of standard type. After 4 weeks read across chemical showed 1.1 % degradation by O2 Consumption (BOD) parameter and less than 0.0 % degradation by both TOC removal and Test material analysis by UV vis parameter so it is concluded that read across chemical 3-Aminobenzene sulphonic acid is not readily biodegradable.

 

In another supporting weight of evidence study for read across chemical 2-amino-5-methylbenzene sulfonic acid (CAS no. 88-44-8) from same source as mentioned above (J Check, 2017) biodegradation experiment was performed by taking activated sludge as inoculums at 30 mg/L concentration. Biodegradation was analyzed by using three parameters that are O2 consumption (BOD), TOC removal and test material analysis by UV vis. The initial concentration of read across chemical was 100 mg/L and equipment used in the study was of standard type. After 2 weeks read across chemical showed 0.0 % degradation by O2 Consumption (BOD) parame ter and less than 0.0 % degradation by both TOC removal and Test material analysis by UV vis parameter so it is concluded that read across chemical 2-amino-5-methylbenzene sulfonic acid is not readily biodegradable.

 

On the basis of above results for target chemical 5-acetamido-2-aminobenzenesulphonic acid (CAS No: 96-78-6) (from OECD QSAR tool box v3.4 and EPI suite, 2017) and for its read across substance (from authoritative database), it is concluded that the test substance 5-acetamido-2-aminobenzenesulphonic acid (CAS No: 96-78-6) can be expected to be not readily biodegradable in nature.

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 5-acetamido-2-aminobenzenesulphonic acid (CAS No: 96-78-6). If released in to the environment, 35 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of the chemical 5-acetamido-2-aminobenzenesulphonic 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 5-acetamido-2-aminobenzenesulphonic 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 1% (i.e, reported as 0.0835 %), indicates that test chemical 5-acetamido-2-aminobenzenesulphonic acid is not persistent in sediment.

Biodegradation in soil:

The half-life period of 5-acetamido-2-aminobenzenesulphonic acid (CAS No: 96 -78 -6) 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, 64.9 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical 5-acetamido-2-aminobenzenesulphonic acid in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of test chemical 5-acetamido-2-aminobenzenesulphonic 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 / sediment:

Various predicted data for the target compound 5-acetamido-2-aminobenzenesulphonic acid (CAS No: 96-78-6) and supporting weight of evidence study conducted for its read across chemical were reviewed for the bioaccumulation end point which are summarized as below:

In a prediction done by BCFBAF Program (v3.00) model of EPI suite (Estimation Program Interface, 2017) the estimated bio concentration factor (BCF) for 5-acetamido-2-aminobenzenesulphonic acid (CAS No: 96-78-6) estimated was 3.162 L/kg wet-wt.

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 5-acetamido-2-aminobenzenesulphonic acid (CAS no.96-78-6) estimated to be 1 dimensionless.

Another predicted data was estimated using Sci Finder database (American Chemical Society (ACS), 2017) The Bioconcentration factor (BCF) for test chemical 5-acetamido-2-aminobenzenesulphonic acid (CAS No: 96-78-6) was predicted in aquatic organisms at pH 1-10 and temperature 25 °C. The Bioconcentration factor (BCF) of test chemical 5-acetamido-2-aminobenzenesulphonic acid at pH 1-10 and temperature 25 °C estimated was 1 dimensionless.

 

Using Chemspider-ACD/Phychem suite prediction model the Bioconcentration factor (BCF) for test chemical 5-acetamido-2-aminobenzenesulphonic acid (CAS No: 96-78-6) in aquatic organisms at pH 5.5 and pH 7.4 estimated was 1.0 dimensionless at 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 bioaccumulation i.e BCF for test substance 5-acetamido-2-aminobenzenesulphonic acid (CAS no.96 -78 -6) was estimated to be 4.24 dimensionless 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 2-amino-5-methylbenzene sulfonic acid(CAS no 88-44-8) on test organism Cyprinus carpio. The nominal concentrations used in the study are 1st Concentration area: 2.0 mg/L, 2nd Concentration area: 0.2 mg/L and range finding study was carried out on Rice fish (Oryzias latipes) TLm(48h) 480 ppm(wv). Thus according to static Fish Test the BCF value for2-amino-5-methylbenzene sulfonic acidwas observed to be ≤ 0.4 L/kg at dose concentration 2 mg/L and ≤ 4.0 L/kg at dose concentration 0.2 mg/L on test organism Cyprinus carpio during 6 weeks period. These BCF values indicate that the read across chemical2-amino-5-methylbenzene sulfonic acidis not bioaccumulative in fish and food chain as these values are far less than 2000 criteria.

In another supporting weight of evidence study from same source as mentioned in above study (J check, 2017) Bioaccumulation test was conducted for 28 days for determination the bioconcentration factor (BCF) of read across substance 4'-Aminoacetanilide (CAS no 122-80-5) on test organism Cyprinus carpio.Recovery ratio in Fish was 68.9 % and Limit of quantitation of Test water was 1st concentration area : 5.6 mg/L, 2nd concentration area : 0.56 mg/L, fish : 140 ng/g.Nominal concentrations used in study are 1st Concentration area: 200 microg/L, 2nd Concentration area: 20 microg/L and range finding study was carried out on Rice fish (Oryzias latipes): LC50 (96h)> 500 mg/L. The lipid content of fish at start of exposure was 3.9 % and at end of exposure was 4.05 %. Thus according to flow through Fish Test the BCF value for read across chemical 4'-Aminoacetanilide was observed to be ≤ 0.71 L/kg at dose concentration 200mg/L and ≤ 7.2 L/kg at dose concentration 20 mg/L on test organism Cyprinus carpio during 28 days period. These BCF values indicate that the read across chemical 4'-Aminoacetanilide is not bioaccumulative in fish and food chain.

On the basis of above results for target chemical 5-acetamido-2-aminobenzenesulphonic acid (CAS no.96 -78 -6) (from EPI suite, ACD labs, Sci Finder database, CompTox Chemistry Dashboard and ChemSpider,2017) and supporting weight of evidence study for its read across chemical it can be concluded that the BCF value of test substance 5-acetamido-2-aminobenzenesulphonic acid ranges from 1 to 4.24 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 5-acetamido-2-aminobenzenesulphonic acid is nonbioaccumulative in nature.

Transport and distribution:

Adsorption /desorption:

Various predicted data for the target compound of 5-acetamido-2-aminobenzenesulphonic acid (CAS No: 96-78-6) were reviewed for the adsorption end point which are summarized as below:

The Soil Adsorption Coefficient i.e Koc value of 5-acetamido-2-aminobenzenesulphonic acid (CAS No: 96-78-6) was estimated using EPI suite KOCWIN Program (v2.00) as 10 L/kg (log Koc=1.0) by means of MCI method at 25 deg.C.

Another predicted Soil Adsorption Coefficient i.e Koc value of test substance 5-acetamido-2-aminobenzenesulphonic acid (CAS no. 96-78-6) was estimated using Adsorption Coefficient module (v12.1.0.50374) program of (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017 as Koc 1 dimensionless (log Koc= 0).

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 5-acetamido-2-aminobenzenesulphonic acid (CAS no. 96-78-6) estimated was 1 dimensionless (log Koc =0) at pH 1-10 at temperature 25 deg.C.

Using Chemspider-ACD/Phy chem suite the soil adsorption co-efficient i.e., Koc value of test substance 5-acetamido-2-aminobenzenesulphonic acid (CAS no.96 -78 -6) was estimated to be 1 dimensionless (log Koc=0) at pH 5.5 and 7.4 and temperature 25 deg.C

Last predicted Koc value estimated 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 5-acetamido-2-aminobenzenesulphonic acid (CAS no. 96-78-6) estimated was 123 L/kg (log Koc = 2.08).The predicted KOC result is based on the 5 OECD principles.

On the basis of above results for target chemical substance 5-acetamido-2-aminobenzenesulphonic acid (CAS no. 96 -78 -6) (from EPI suite, ACD labs, Sci Finder database, Chemspider and CompTox Chemistry Dashboard 2017) it can be concluded that the Koc value of test substance 5-acetamido-2-aminobenzenesulphonic acid ranges from 1 to 123 dimensionless (log Koc range =0-2.08) Thus by considering Koc value range it is concluded that the test substance 5-acetamido-2-aminobenzenesulphonic acid has a negligible to low sorption to soil and sediment and therefore have rapid to moderate migration potential to ground water.