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EC number: 227-918-6 | CAS number: 6035-94-5
Endpoint summary
Administrative data
Description of key information
Biodegradation
Biodegradation in water
Biodegradability of 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS no. 6035-94-5) is predicted using OECD QSAR toolbox version 3.3 with log Kow as the primary descriptor. Test substance undergoes 0.40 % degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate was estimated to be not readily 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 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS No. 6035-94-5). If released in to the environment, 5.52 % 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 be 37.5 days (900 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is not persistent in water whereas the half-life period of test chemical in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical into the sediment is 34.7 %, indicates that test chemical is persistent in sediment.
Biodegradation in soil
The half-life period of 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS No. 6035-94-5) 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, 59.8 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of test chemical, it is concluded that the chemical is not persistent in 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 chemical 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS No. 6035-94-5). The bioconcentration factor (BCF) of 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate was 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 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate is not expected to bioaccumulate in the food chain.
Transport and distribution
Adsoption / desorption
The soil adsorption coefficient i.e Koc value of 2-benzylideneheptanal (CAS No. 6035 -94 -5) was estimated to be 124900.0 L/kg (log Koc= 5.0967) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 2-benzylideneheptanal is likely to to show very strong sorption to soil and sediment and show negligible migration to groundwater.
Additional information
Biodegradation
Biodegradation in water
Following different studies includes predicted data and experimental study for the target chemical and the structurally similar read across to conclude the biodegradation in water of 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS No. 6035-94-5) in environment.
Biodegradability of 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS no. 6035-94-5) is predicted using OECD QSAR toolbox version 3.3 with log Kow as the primary descriptor. Test substance undergoes 0.40 % degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate was estimated to be not readily biodegradable in water.
Similar estimated data from Estimation Programs Interface Suite (EPI suite, 2017) was run to predict the biodegradation potential of the 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS no. 6035 -94 -5) 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 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate is expected to be not readily biodegradable.
The predicted data is supported by the experimental study of structurally similar read across 2, 2'-ethene-1,2-diylbis(5-aminobenzenesulfonic acid) ( CAS no. 81-11-8) from the J-check indicates 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
Further it is supported by the experimental study for the structurally similar read across 3,3'-Sulphonyldianiline ( CAS no. 599 -61 -1) from the
J-check indicates that
The test chemical 3,3'-Sulphonyldianiline ( CAS no. 599 -61 -1) was subjected to biodegradation test by taking sludge as a inoculums at 30 mg/L concentration . Biodegradation was analysed by using three parameters BOD,TOC 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%, 0% and 1 % biodegradation by BOD, TOC and HPLC parameters respectively so it is concluded that it is not readily biodegradable
On the basis of above results for target chemical 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS No. 6035-94-5) (from EPI suite) and for its read across chemical (from J-CHeck 2017) it can be concluded that the chemical
Following different studies includes predicted data and experimental study for the target chemical and the structurally similar read across to conclude the biodegradation in water of 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS No. 6035-94-5) in environment.
Biodegradability of 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS no. 6035-94-5) is predicted using OECD QSAR toolbox version 3.3 with log Kow as the primary descriptor. Test substance undergoes 0.40 % degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate was estimated to be not readily biodegradable in water.
Similar estimated data from Estimation Programs Interface Suite (EPI suite, 2017) was run to predict the biodegradation potential of the 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS no. 6035 -94 -5) 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 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate is expected to be not readily biodegradable.
The predicted data is supported by the experimental study of structurally similar read across 2, 2'-ethene-1,2-diylbis(5-aminobenzenesulfonic acid) ( CAS no. 81-11-8) from the J-check indicates 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
Further it is supported by the experimental study for the structurally similar read across 3,3'-Sulphonyldianiline ( CAS no. 599 -61 -1) from the
J-check indicates that
The test chemical 3,3'-Sulphonyldianiline ( CAS no. 599 -61 -1) was subjected to biodegradation test by taking sludge as a inoculums at 30 mg/L concentration . Biodegradation was analysed by using three parameters BOD,TOC 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%, 0% and 1 % biodegradation by BOD, TOC and HPLC parameters respectively so it is concluded that it is not readily biodegradable
On the basis of above results for target chemical 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS No. 6035-94-5) (from EPI suite) and for its read across chemical (from J-CHeck 2017) it can be concluded that the chemical4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS No. 6035-94-5) 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 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS No. 6035-94-5). If released in to the environment, 5.52 % 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 be 37.5 days (900 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is not persistent in water whereas the half-life period of test chemical in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical into the sediment is 34.7 %, indicates that test chemical is persistent in sediment.
Biodegradation in soil
The half-life period of 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS No. 6035-94-5) 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, 59.8 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of test chemical, it is concluded that the chemical is not persistent in 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 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS No. 6035-94-5) in environment.
BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS No. 6035-94-5). The bioconcentration factor (BCF) of 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate was 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 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate is not expected to bioaccumulate in the food chain.
Another study from the ACD DATABASE 2017 DONE Using Bio-concentration Factor (v12.1.0.50374) module Bio-concentration Factor over the entire pH scale (pH 0 -14) of the test substance 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS no. 6035 -94 -5) was estimated to be in a range of 1 -1.22. This value indicates that the test substance 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate was considered to be non-accumulative in aquatic organisms.
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 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate was estimated to be 18.6 dimensionless. The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate is non-bioaccumulative in nature.
The predicted data of the target chemical is supported by the structurally 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
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 of 1st Concentration area: 1 mg/L, 2nd Concentration area: 0.1 mg/L exposed to Cyprinus 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.
Further the experimental study for the structurally similar read across p-Aminodiphenylamine (CAS: 101-54-2) froom the publications Journal of Pharmaceutical Sciences 1995, Environmental Toxicology and Chemistry 1999 and Chemosphere 1994 suggests that An estimated BCF of 5.1 was calculated for p-aminodiphenylamine, using an estimated log Kow of 1.82(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the p-aminodiphenylamine is not bioaccumulative.
On the basis of above results for target chemical 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS No. 6035-94-5) (from EPI suite, CompTox Chemistry Dashboard) and for its read across chemical (from J-CHeck 2017and publications), and the value of BCF ranges from 1 -1.22 to 18.6 which does not exceed the bio-concentration threshold of 2000, it can be concluded that the chemical 4-amino-N-(4-aminophenyl)-N-(4-methylenecyclohexa-2,5-dien-1-ylidene)anilinium acetate (CAS No. 6035-94-5) is not expected to be bioaccumulate in the food chain.
Transport and distribution
Adsoption / desorption
The soil adsorption coefficient i.e Koc value of 2-benzylideneheptanal (CAS No. 6035 -94 -5) was estimated to be 124900.0 L/kg (log Koc= 5.0967) by means of MCI method (at 25 deg C). This Koc value indicates that the substance 2-benzylideneheptanal is likely to to show very strong sorption to soil and sediment and show negligible migration to groundwater.
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