Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate

Endpoint summary

Description of key information

Biodegradation:

Biodegradation in water:

Biodegradability of test chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate ( CAS no. 6598 -63 -6) was predicted by using OECD QSAR tool box v3.3 using log Kow as primary descriptor. The test chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate showed 0.14 % biodegradation by considering BOD as parameter and microorganisms as inoculum in 28 days. Based on Percent biodegradability 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  Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate (CAS No: 6598-63-6). If released in to the environment, 0.577 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate in water is estimated to be 180 days ( 4320 hrs). The half-life (180 days estimated by EPI suite) indicates that the chemical is persistent in waterand the exposure risk to aquatic animals is high whereas the half-life period of Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate in sediment is estimated to be 1620.833 days (38900 hrs). Based on this half-life value, it indicates that test chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate is persistent in sediment.

Biodegradation in Soil:

The half-life period of Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate (CAS No: 6598 -63 -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, 52.5 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoatein soil is estimated to be 360 days (8640 hrs). Based on this half-life value of test chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino] -3-sulphonato-2-naphthyl] azo]benzoate, 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:

From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate (CAS No: 6598-63-6) is 10 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that the test chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate is not expected to bio accumulate in the aquatic environment.

Transport and distribution:

Adsorption/desorption:

The Soil Adsorption Coefficient i.e Koc value of Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate (CAS No:6598-63-6) was estimated using EPI suite KOCWIN Program (v2.00) as 10810000 L/kg(log Koc= 7.0338)  by means of MCI method at 25 deg.C. This Koc value indicates that the substance Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate has very strong sorption to soil and sediment and therefore has negligible migration potential to groundwater.

Additional information

Biodegradation:

Biodegradation in water:

Predicted data for target compound Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl] azo]benzoate (CAS no. 6598-63-6) 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.

In first predicted data study the biodegradability of test chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate was estimated by using OECD QSAR tool box v3.3 using log Kow as primary descriptor. The test chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate showed 0.14 % biodegradation by considering BOD as parameter and microorganisms as inoculum in 28 days. Based on Percent biodegradability it is concluded that this test chemical is not readily biodegradable.

 

Next weight of evidence study was done by using Estimation Programs Interface Suite (EPI suite, 2017) to estimate the biodegradation potential of the test chemicalTrisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate 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 Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoateis not readily biodegradable.

 

The supporting weight of evidence study was done from authoritative database (J Check, 2017) for tread across chemical disodium 4-amino-3-[(E)-2-(4-{4-[(E)-2-(2,4-diaminophenyl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]-5-hydroxy-6-[(E)-2-phenyldiazen-1-yl]naphthalene-2,7-disulfonate (CAS no. 1937-37-7). In this study the read across chemical was subjected to biodegradation test 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 study design used was of standard type. The read across chemical disodium 4-amino-3-[(E)-2-(4-{4-[(E)-2-(2,4-diaminophenyl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]-5-hydroxy-6-[(E)-2-phenyldiazen-1-yl]naphthalene- 2,7-disulfonate showed 0 % biodegradation by all three parameters namely BOD, TOC and HPLC parameter in 28 days. Based on percent biodegradability it is concluded that read across chemical disodium 4-amino-3-[(E)-2-(4-{4-[(E)-2-(2,4-diaminophenyl)diazen-1-yl]phenyl}phenyl)diazen-1-yl]-5-hydroxy-6-[(E)-2-phenyldiazen-1-yl] naphthalene-2,7-disulfonate is not readily biodegradable.

 

Similarly another supporting weight of evidence study was also done from same source as mentioned above (J check, 2017) for another read across chemical tetrasodium 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bisnaphthalene-1,5-disulphonate (CAS no. 3214-47-9). In this study the read across chemical was subjected to biodegradation test 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 and study design was of standard type. The read across chemical tetrasodium 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bisnaphthalene-1,5-disulphonateshowed 13 % biodegradation by TOC parameter and 0 % biodegradation by other two parameters namely BOD and HPLC in 28 days. Based on percent biodegradability it is concluded that read across chemical tetrasodium 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bisnaphthalene-1,5-disulphonate is not readily biodegradable.

 

On the basis of above results for target chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato -2-naphthyl]azo]benzoate ( CAS no. 6598 -63 -6) from ( EPI suite 2017 and OECD QSAR tool box v3.3 2017) and for its read across substances ( from authoritative database) the target chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoatecan 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  Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate (CAS No: 6598-63-6). If released in to the environment, 0.577 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate in water is estimated to be 180 days ( 4320 hrs). The half-life (180 days estimated by EPI suite) indicates that the chemical is persistent in waterand the exposure risk to aquatic animals is high whereas the half-life period of Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate in sediment is estimated to be 1620.833 days (38900 hrs). Based on this half-life value, it indicates that test chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate is persistent in sediment.

Biodegradation in Soil:

The half-life period of Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate (CAS No: 6598 -63 -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, 52.5 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoatein soil is estimated to be 360 days (8640 hrs). Based on this half-life value of test chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino] -3-sulphonato-2-naphthyl] azo]benzoate, 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:

Different predicted data study for target chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate (CAS No: 6598-63-6) and one experimental data study of its read across chemical were summarized below for bioaccumulation endpoint.

 

The first predicted data study was done from BCFBAF Program (v3.00) model of Estimation Program Interface (EPI suite, 2017) in this study the bio concentration factor (BCF) for test chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate (CAS No: 6598-63-6)was estimated to be is 10 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.

 

Another predicted data study was done by using Bio-concentration Factor (v12.1.0.50374) module of Advanced Chemistry Development/I-lab predictive module (2017) in this study the Bio-concentration Factor at range pH 1-14  of the chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate estimated to be 1.0 dimensionless.

 

Similarly, one more predicted data study was 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 Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7 -sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate(CAS no.6598 -63 -6) was estimated to be 3.19 dimensionless . The predicted BCF result was based on the 5 OECD principles.

 

The supporting experimental weight of evidence study was from authoritative database (J Check, 2017) in this study bioaccumulation test was conducted for 28 days for determination the bioconcentration factor (BCF) of read across chemical tetrasodium3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bisnaphthalene-1,5-disulphonate (CAS no 3214-47-9) on test organism Cyprinus carpio.

Recovery ratio was in Fish : 83.4 %, and Limit of quantitation was in Test water at 1st concentration area was 0.020 mg/L, and on 2nd concentration area was 0.0020 mg/L, Fish : 0.24 microg/g. Nominal concentrations used in the study are 1st Concentration area: 1.0 mg/L, 2nd Concentration area: 0.1 mg/L and Range finding study was carried out on Rice fish (Oryzias latipes) LC50(96 h) > 600 mg/L. The lipid content at start of exposure was 2.18 % and at end of exposure was 4.19 %. Thus according to static Fish Test the BCF value of read across chemical tetrasodium 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bisnaphthalene-1,5-disulphonate was observed to be ≤ 0.25-1.0 L/kg at dose concentration 1.0 mg/L and ≤ 0.25 L/kg at dose concentration 0.1 mg/L  on the basis of lipid content on test organism Cyprinus carpio during 28 days period. These BCF values indicate that the read across substance tetrasodium 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bisnaphthalene-1,5-disulphonate is not bioaccumulative in fish and food chain as these values are far less than 2000 criteria.

On the basis of results of all above mentioned studies for test chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate (CAS No: 6598-63-6) the BCF value of this test chemical is in range of 1- 10 L/kg. This range of BCF value indicates that test chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate is not bioaccumulative in fish and food chain as these values are far less than 2000 criteria.

Transport and distribution:

Adsorption/desorption:

Two different predicted data study were done for target chemical Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate (CAS No:6598-63-6) and their results are summarized below for adsorption endpoint.

 

In first study the Soil Adsorption Coefficient i.e Koc value of Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate was estimated using Estimation Program Interface (EPI suite, 2017) KOCWIN Program (v2.00) as 10810000 L/kg(log Koc= 7.0338)  by means of MCI method at 25 deg.C.

 

 Another study was one 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 substanceTrisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate(CAS no. 6598 -63 -6) was estimated to be 137000 L/kg (log Koc = 5.1367) .The predicted KOC result based on the 5 OECD principles.

 

On the basis of results of both the studies it is concluded that the test substance Trisodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate has a very strong sorption to soil and sediment and therefore has negligible migration potential to ground water.