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Environmental fate & pathways

Endpoint summary

Administrative data

Description of key information

Biodegradation:

Biodegradation in water:

Biodegradability of test chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium (CAS no. 94158-82-4) is predicted using OECD QSAR tool box v.3.3 using log Kow as primary descriptor. The test chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium undergoes 13.60 % biodegradation by considering BOD as parameter and microorganisms as inoculum in 28 days. Based on percent biodegradability it is concluded that test chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium 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 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium (CAS No. 94158-82-4). If released in to the environment, 36.9 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical in water is estimated to be180 days (4320 hrs). The half-life (180 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is high whereas the half-life period of test chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodiumin sediment is estimated to be 1620.833 days (38900 hrs). However, as the percentage release of test chemical is less than 1 % (i.e.,reported as 0.0974) indicates that the test chemical is not persistent in sediments.

Biodegradation in Soil:

The half-life period of test chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium (CAS No. 94158-82-4) 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, 63% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium in soil is estimated to be 360 days (8640 hrs). Based on this half-life value of test chemical2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium, it is concluded that the chemical is persistent in the soil environment and the exposure risk to soil dwelling animals is high.

Bioaccumulation:

Bioaccumulation: aquatic/sediments:

Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium (CAS No. 94158-82-4) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium is non bioaccumulative in food chain.

Transport and distribution:

Adsorption/desorption:

The Soil Adsorption Coefficient i.e. Koc value of test chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium (CAS No. 94158 -82 -4) was estimated using EPI suite KOCWIN Program (v2.00) as 13.5 L/kg (log Koc= 1.1302) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium has negligible sorption to soil and therefore have rapid migration potential to ground water.

Additional information

Biodegradation:

Biodegradation in water:

Predicted data for target compound 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium (CAS no. 94158-82-4) and supporting weight of evidence studies for its closest read across chemicals with log Kow as a primary descriptor were reviewed for the biodegradation endpoint which are summarized as below.

Biodegradability of test chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium (CAS no. 94158-82-4) is predicted using OECD QSAR tool box v.3.3 using log Kow as primary descriptor. The test chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium undergoes 13.60 % biodegradation by considering BOD as parameter and microorganisms as inoculum in 28 days. Based on percent biodegradability it is concluded that test chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium is not readily biodegradable.

Next prediction done by using Estimation Programs Interface Suite (EPI suite, 2017) to estimate the biodegradation potential of the test compound2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium(CAS no. 94158-82-4) 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 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodiumis expected to be not readily biodegradable.

In a supporting weight of evidence study done from authoritative database J Check, 2017 for read across chemical sodium 4-acetamidobenzene-1-sulfonate (CAS no. 6034-54-4) biodegradation experiment was carried out by taking activated sludge as inoculums at 30 mg/L concentration. Biodegradation was analysed by using BOD, TOC and HPLC parameters. The initial concentration of read across chemical was 100 mg/L.The read across chemical sodium 4-acetamidobenzene-1-sulfonate showed 2% biodegradation by BOD parameter and 0% biodegradation by both TOC and HPLC parameter in 14 days. Based on percent biodegradation it is concluded that read across chemical sodium 4-acetamidobenzene-1-sulfonate is not readily biodegradable.

In another supporting weight of evidence study done from same source as mentioned above (J check, 2017) for read across chemical N-Butyl-benzenesulfonamide (CAS no. 3622-84 -2) biodegradation experiment was performed by taking sludge as inoculums at 30 mg/L concentration. Biodegradation was analysed by using BOD, TOC and HPLC parameters. The initial concentration of read across chemical was 100 mg/L.The read across chemical N-Butyl-benzenesulfonamide showed 1% biodegradation by TOC parameter and 0.0% degradation by other two parameters i.e., BOD and HPLC in 28 days. Based on percent biodegradability it is concluded that read across chemical N-Butyl-benzenesulfonamide is not readily biodegradable.

On the basis of above results for target chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium (CAS no. 94158-82-4) from ( EPI suite 2017 and OECD QSAR tool box v3.3 2017) and for its read across substances (from authoritative database) the target chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium can be 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 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium (CAS No. 94158-82-4). If released in to the environment, 36.9 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical in water is estimated to be180 days (4320 hrs). The half-life (180 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is high whereas the half-life period of test chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodiumin sediment is estimated to be 1620.833 days (38900 hrs). However, as the percentage release of test chemical is less than 1 % (i.e.,reported as 0.0974)indicates that the test chemical is not persistent in sediments.

Biodegradation in Soil:

The half-life period of test chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium (CAS No. 94158-82-4) 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, 63% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodiumin soil is estimated to be 360 days (8640 hrs). Based on this half-life value of test chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium, it is concluded that the chemical is persistent in the soil environment and the exposure risk to soil dwelling animals is high.

Bioaccumulation:

Bioaccumulation: aquatic/sediments:

Results of two different predicted data study for the target chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium (CAS No. 94158-82-4) were reviewed for the bioaccumulation end point which are summarized as below:

In a first prediction done by using BCFBAF Program (v3.00) model of EPI suite(Estimation Program Interface 2017) the estimated bio concentration factor (BCF) for 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium (CAS No. 94158-82-4) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium is non bioaccumulative in food chain.

In a supporting study another prediction done by using Adsorption Coefficient module (v12.1.0.50374) program of (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017) Bio-concentration Factor at range pH 1-14 of the chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium (CAS no. 94158-82-4) estimated to be 1.0 dimensionless. This value indicates that the chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium is non-bioaccumulative in aquatic organisms as this value does not exceed 2000 criteria.

On the basis of above results for target chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium (CAS No. 94158-82-4) (From EPI suite and ACD labs, 2017) it can be concluded that the BCF value of test substance 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium ranges from 1.0 to 3.162 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium is not expected to bioaccumulate in the food chain.

Transport and distribution:

Adsorption/desorption:

Results of two different predicted data for the target compound of 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium (CAS No. 94158-82-4) were reviewed for the Adsorption end points which are summarized as below.

First prediction done by using EPI suite KOCWIN Program (v2.00) the Soil Adsorption Coefficient i.e. Koc value of test chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium (CAS No. 94158-82-4) was estimated to be 13.5 L/kg (log Koc= 1.1302) by means of MCI method at 25 deg. C.

In a supporting study another prediction done by using Adsorption Coefficient module (v12.1.0.50374) program of (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017) module the Soil Adsorption Coefficient i.e Koc value of test substance 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium (CAS no. 94158-82-4) was estimated as Koc 1.0 dimensionless (log Koc= 0).

On the basis of above results for target chemical 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium (CAS No. 94158-82-4) (from EPI suite and ACD labs, 2017) it can be concluded that the log Koc value of test substance 2-amino-4-acetamido-5-[(E)-2-(4-{[2-(sulfooxy)ethane]sulfonyl}phenyl)diazen-1-yl]benzoic acid sodium ranges from 0 to 1.15 indicating that the chemical has negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.