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EC number: 221-816-5 | CAS number: 3244-88-0
Endpoint summary
Administrative data
Description of key information
Biodegradation
Biodegradation in water
Estimation Programs Interface Suite (EPI suite, 2017) was run to predict the biodegradation potential of the test compound (3-(1-(4-amino-3-methyl-5-sulphonatophenyl)-1-(4-amino-3-sulphonatophenyl)methylene)cyclohexa-1,4-dienesulphonic acid(CAS no. 3244 -88 -0) 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-(1-(4-amino-3-methyl-5-sulphonatophenyl)-1-(4-amino-3-sulphonatophenyl)methylene)cyclohexa-1,4-dienesulphonic acidis expected to be not readily biodegradable.
Biodegradation in water and sediment
Estimation Programs Interface Suite (EPI suite, 2017) was run to predict the biodegradation potential of the test compound (3-(1-(4-amino-3-methyl-5-sulphonatophenyl)-1-(4-amino-3-sulphonatophenyl)methylene)cyclohexa-1,4-dienesulphonic acid(CAS no. 3244 -88 -0) 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-(1-(4-amino-3-methyl-5-sulphonatophenyl)-1-(4-amino-3-sulphonatophenyl)methylene)cyclohexa-1,4-dienesulphonic acidis expected to be not readily biodegradable.
Biodegradation in soil
The half-life period of3-(1-(4-amino-3-methyl-5-sulphonatophenyl)-1-(4-amino-3-sulphonatophenyl)methylene)cyclohexa-1,4-dienesulphonic acid(CAS No.3244 -88 -0) 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,37.3 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of
3-(1-(4-amino-3-methyl-5-sulphonatophenyl)-1-(4-amino-3-sulphonatophenyl)methylene)cyclohexa-1,4-dienesulphonic acid in soil is estimated to be 120 days (2880 hrs). Based on this half-life value of 3-(1-(4-amino-3-methyl-5-sulphonatophenyl)-1 -(4-amino-3-sulphonatophenyl)methylene)cyclohexa-1,4-dienesulphonic acid, it is concluded that the chemical is not persistentin the soil environment.
Bioaccumulation
Bioaccumulation in aquatic / sediment
BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate(CAS No. 3244 -88 -0). The bioconcentration factor (BCF) of2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonatewas estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonateis not expected to bioaccumulate in the food chain.
Transport and distribution
Adsorption/ desorption
KOCWIN model (v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate (CAS No. 3244-88-0). The soil adsorption coefficient i.e Koc value of 2-Propen-1-yl butanoate was estimated to be 703900.0 L/kg (log Koc=5.8475) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate has avery strongsorption to soil and sediment and therefore can easily migrate to ground water.
Additional information
Biodegradation
Biodegradation in water
Different studies includes the predicted data for the target chemical and exeprimental study of structurally similar read across to conclude the biodegradation in water is summarized as follows:
Estimation Programs Interface Suite (EPI suite, 2017) was run to predict the biodegradation potential of the test compound (3-(1-(4-amino-3-methyl-5-sulphonatophenyl)-1-(4-amino-3-sulphonatophenyl)methylene)cyclohexa-1,4-dienesulphonic acid(CAS no. 3244 -88 -0) 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 Tieframe, 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-(1-(4-amino-3-methyl-5-sulphonatophenyl)-1-(4-amino-3-sulphonatophenyl)methylene)cyclohexa-1,4-dienesulphonic acidis expected to be not readily biodegradable.
The above predicted data of target chemical is supported by theexeprimental study of structurally similar read across
2, 2'-ethene-1,2-diylbis(5-aminobenzenesulfonic acid) ( CAS no. 81-11-8) from J-CHeck 2017 suggests that The test chemical 2, 2'-ethene-1,2-diylbis(5-aminobenzenesulfonic acid) ( CAS no. 81-11-8) was subjected to biodegradation test by taking sludge as a inoculums at 30 mg/L concentration . Biodegradation was analysed by using two parameters BOD and HPLC. The initial concentration of test chemical was 100 mg/L and study design is of standard type. After 4 weeks( 28 days) test chemical showed 0% and 2 % biodegradation by BOD and HPLC parameters respectively so it is concluded that it is not readily biodegradable.
On the basis of above results for target chemical 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate (from EPI suite) and for its read across chemical (from J-CHeck 201) it can be concluded that the chemical 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate is not biodegradable in water.
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-(1-(4-amino-3-methyl-5-sulphonatophenyl)-1-(4-amino-3-sulphonatophenyl)methylene)cyclohexa-1,4-dienesulphonic acid (CAS No.3244-88-0). If released in to the environment, 2.2 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of3-(1-(4 -amino-3-methyl-5-sulphonatophenyl)-1-(4-amino-3-sulphonatophenyl)methylene)cyclohexa-1,4-dienesulphonic acid (CAS No.3244-88-0)in water is estimated to be 60 days (1440 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is persistent in water. whereas the half-life period of3-(1-(4-amino-3-methyl-5-sulphonatophenyl)-1-(4-amino-3-sulphonatophenyl)methylene)cyclohexa-1,4-dienesulphonic acid (CAS No.3244-88-0)in sediment is estimated to be 541.6 days (13000 hrs). However, as the percentage release of test chemical into the sediment is greater than 1% (i.e, reported 60.5 %), indicates that3-(1-(4-amino-3-methyl-5-sulphonatophenyl)-1-(4-amino-3-sulphonatophenyl)methylene)cyclohexa-1,4-dienesulphonic acidis persistent in sediment.
Biodegradation in soil
The half-life period of3-(1-(4-amino-3-methyl-5-sulphonatophenyl)-1-(4-amino-3-sulphonatophenyl)methylene)cyclohexa-1,4-dienesulphonic acid(CAS No.3244 -88 -0) 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,37.3 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 3-(1-(4-amino-3-methyl-5-sulphonatophenyl)-1-(4-amino-3-sulphonatophenyl)methylene)cyclohexa-1,4-dienesulphonic acid in soil is estimated to be 120 days (2880 hrs). Based on this half-life value of 3-(1-(4-amino-3-methyl-5-sulphonatophenyl)-1-(4-amino-3-sulphonatophenyl)methylene)cyclohexa-1,4-dienesulphonic acid, it is concluded that the chemical is not persistentin the soil environment.
Bioaccumulation
Bioaccumulation in aquatic / sediment
Following different studies includes predicted data and experimental study for the target chemical and the structurally similar read across to conclude the bioaccumulation of 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate in environment.
BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate(CAS No. 3244 -88 -0). The bioconcentration factor (BCF) of2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonatewas estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonateis not expected to bioaccumulate in the food chain.
Similar predicted data for the target chemical 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 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate was estimated to be 2.38 dimensionless.The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonateis non-bioaccumulative in nature.
The predicted data of the target chemical is supported by thestructurally similar read across 2,2'-ethene-1,2-diylbis(5-aminobenzenesulfonic acid) (CAS: 81 -11 -8) from Japan chemical collaborative knowledge database (J check) 2017, indicates that the Bioaccumulation of 4,4'-diaminostilbene-2,2'-disulphonic acid was analyzed accpording to the OECD Guideline 305 C (Bioaccumulation: Test for the Degree of Bioconcentration in Fish). The test was carried out at nominal concentration of1st Concentration area: 1 mg/L, 2nd Concentration area: 0.1 mg/L exposed toCyprinus carpio for 6 wks.The Bioaccumulation factor(BCF) for 2,2'-ethene-1,2-diylbis(5-aminobenzenesulfonic acid (CAS: 81-11-8) is 4.7 L/kg in 6 wk.It can be concluded from the value that the ,2'-ethene-1,2-diylbis(5-aminobenzenesulfonic acid is not bioaccumulative in environment.
On the basis of above results for target chemical 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate (from EPI suite, CompTox Chemistry Dashboard) and for its read across chemical (from J-CHeck 2017), and the value of BCF ranges from 2.38 to 4.7 which does not exceed the bio-concentration threshold of 2000, it can be concluded that the chemical 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate is not expected to be bioaccumulate in the food chain.
Transport and distribution
Adsorption/ desorption
KOCWIN model (v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate (CAS No. 3244-88-0). The soil adsorption coefficient i.e Koc value of 2-Propen-1-yl butanoate was estimated to be 703900.0 L/kg (log Koc=5.8475) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate has avery strongsorption to soil and sediment and therefore can easily migrate to ground water.
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