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EC number: 271-946-1 | CAS number: 68647-35-8 This substance is identified in the Colour Index by Colour Index Constitution Number, C.I. 42535:4.
Endpoint summary
Administrative data
Description of key information
Hydrolysis
Hydrolysis of Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates (CAS no. 63647 -35 -8) is predicted using OECD QSAR toolbox version 3.4 (2018) with logKow as the primary descriptor. The estimated half-life of Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates was estimated to be 78.1 days, indicating that it is not hydrolysable.
Biodegradation in water
Biodegradability of Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates (CAS no. 68647 -35 -8) is predicted using QSAR toolbox version 3.4 (2018) with logKow as the primary descriptor. Test substance undergoes 0.55% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates was estimated to be not readily biodegradable in water.
Adsorption / desorption
KOCWIN model (v2.00) of Estimation Programs Interface (EPI Suite, 2018) was used to predict the soil adsorption coefficient i.e Koc value of test chemical Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates (CAS No. 68647 -35 -8). The soil adsorption coefficient i.e Koc value of Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates was estimated to be 3330000000 L/kg (log Koc= 9.52) by means of MCI method (at 25 deg C). This Koc value indicates that the substance Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.
Additional information
Hydrolysis
Predicted data for the target chemical Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates (CAS No.68647-35-8) and supporting study from authoritative database for its read across substance were reviewed for the hydrolysis end point which are summarized as below:
In a prediction done by SSS (2018) using OECD QSAR toolbox version 3.4 with logKow as the primary descriptor, hydrolysis of test chemical Benzenamine, 4 -[(4 -aminophenyl)(4 -imino-2,5 -cyclohexadien-1 -ylidene)methyl]-, N-Me derivatives, molybdatesilicates (CAS No.68647 -35 -8) is predicted. The estimated half-life of chemical Benzenamine, 4 -[(4 -aminophenyl)(4 -imino-2,5 -cyclohexadien-1 -ylidene)methyl]-, N-Me derivatives, molybdatesilicates was estimated to be 78.1 days, indicating that it is not hydrolysable.
For the read across chemical fenpyroximate (CAS no. 134098-61-6), the half-life and base catalyzed hydrolysis rate constant of the read across chemical fenpyroximate (CAS no. 134098-61-6) was estimated using structure estimation method. The based catalyzed hydrolysis rate constant of fenpyroximate was determined to be 0.016 L/mol-sec, respectively with a corresponding half-lives of 13 and 1.3 years at pH 7 and 8, respectively.
On the basis of the above results for target chemicalBenzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates (fromOECD QSAR toolbox version 3.4, 2018) and for its read across substance (from authoritative database HSDB, 2017), it can be concluded that the target chemical Benzenamine, 4 -[(4 -aminophenyl)(4 -imino-2,5 -cyclohexadien-1 -ylidene)methyl]-, N-Me derivatives, molybdatesilicates is not hydrolysable.
Biodegradation in water
Predicted data for the target compound Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates (CAS No.68647-35-8) and supporting weight of evidence studies for its closest read across substance were reviewed for the biodegradation end point which are summarized as below:
In a prediction done by SSS (2018) using OECD QSAR toolbox version 3.4 with logKow as the primary descriptor, percentage biodegradability of test chemicalBenzenamine, 4 -[(4 -aminophenyl)(4 -imino-2,5 -cyclohexadien-1 -ylidene)methyl]-, N-Me derivatives, molybdatesilicates(CAS No.68647-35-8) was estimated.Test substance undergoes 0.55% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates was estimated to be not readily biodegradable in water.
In a supporting weight of evidence study from experimental study report (UERL study report, Sustainability Support Services (Europe) AB, Report no. 83803-79-6/01/2018/CBT, 2018) for the read across chemical [4-[[4-anilino-1-naphthyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate (CAS no. 83803-79-6),28-days Closed Bottle test following the OECD guideline 301 D to determine the ready biodegradability of the read across chemical [4-[[4-anilino-1-naphthyl][4 - (dimethylamino)phenyl]methylene]cyclohexa-2,5 -dien-1 -ylidene]dimethylammonium acetate, CAS No. 83803 -79 -6. The test system included control, test item and reference item. The concentration of test and reference item ( Sodium Benzoate) chosen for both the study was 4 mg/L, while that of inoculum was 32 ml/l. ThOD (Theoretical oxygen demand) of test and reference item was determined by calculation. % degradation was calculated using the values of BOD and ThOD for test item and reference item. The BOD28 value of [4 -[[4 -anilino-1 -naphthyl][4 -(dimethylamino)phenyl]methylene]cyclohexa-2,5 -dien-1 -ylidene]dimethylammonium acetate, CAS No. 83803 -79-6 was observed to be 0.52 mgO2/mg. ThOD was calculated as 2.44 mgO2/mg. Accordingly, the % degradation of the test item after 28 days of incubation at 20 ± 1°C according to Closed Bottle test was found to be 21.31%. Based on the results, the test item, under the test conditions, was considered to be not readily biodegradable.
For the read across chemical 4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride (CAS no. 6358-36-7), 35-days Closed Bottle test following the OECD guideline 301D to determine the ready biodegradability of the read across chemical 4,4'-carbonimidoylbis[N,Ndiethylaniline] monohydrochloride, CAS No. 6358-36-7 (UERL study report, Sustainability Support Services (Europe) AB, Report no. 6358-36-7/01/2017/CBT, 2017). The test system included control, test item and reference item. The concentration of test and reference item ( Sodium Benzoate) chosen for both the study was 4 mg/L, while that of inoculum was 32 ml/l. ThOD (Theoretical oxygen demand) of test and reference item was determined by calculation. % Degradation was calculated using the values of BOD and ThOD for test item and reference item. The BOD35 value of 4,4'-carbonimidoylbis[N,N-diethylaniline] monohydrochloride, CAS No. 6358-36-7 was observed to be 0.52 mgO2/mg. ThOD was calculated as 2.31 mgO2/mg. Accordingly, the % degradation of the test item after 35 days of incubation at 20 ± 1°C according to Closed Bottle test was determined to be 22.51%. Based on the results, the test item, under the test conditions, was considered to be not readily biodegradable.
In an another supporting weight of evidence study from peer reviewed journal (H. Heukelekian and M. C. Rand, 1955) for the read across chemical Basic violet 1 (CAS no. 004 -87 -3), biodegradation experiment was conducted for 5 days for evaluating the percentage biodegradability of read across substance Basic violet 1 using standard dilution method under aerobic conditions at a temperature of 20°C. Sewage was used as a test inoculum. The 5 day BOD value of chemical Basic violet 1 was determined to be 0 g/g. Thus, based on this value, Basic violet 1 is considered to be not readily biodegradable in nature.
On the basis of above results for target chemical Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates (from OECD QSAR toolbox version 3.4, 2018) and for its read across substance (from UERL study report and peer reviewed journal), it can be concluded that the test substance Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates can be expected to be not readily biodegradable in nature.
Adsorption / desorption
Predicted data for the target compound Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates (CAS No.68647-35-8) and supporting study for its closest read across substance were reviewed for the adsorption end point which are summarized as below:
In aprediction done using the KOCWIN Program(v2.00) of Estimation Programs Interface (EPI Suite, 2018) was used to predict the soil adsorption coefficient i.e Koc value of test chemical Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates (CAS No. 68647 -35 -8). The soil adsorption coefficient i.e Koc value of Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates was estimated to be 3330000000 L/kg (log Koc= 9.52) by means of MCI method (at 25 deg C).
For the read across chemical 4,4'-carbonimidoylbis(N,N-dimethylaniline) monohydrochloride (CAS no. 2465-27-2) from authoritative database (HSDB, 2017),adsorption experiment was conducted for estimating the adsorption coefficient (Koc) value of read across chemical 4,4'-carbonimidoylbis(N,N-dimethylaniline) monohydrochloride (CAS no. 2465-27-2). The adsorption coefficient (Koc) value was calculated using a structure estimation method. The adsorption coefficient (Koc) value of substance 4,4'-carbonimidoylbis(N,N-dimethylaniline) monohydrochloride was estimated to be 50,000 (Log Koc = 4.698).
On the basis of above overall results for target chemical Benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, N-Me derivatives, molybdatesilicates(from EPI suite,2018) and for its read across substance (from authoritative database HSDB, 2017), it can be concluded that the Koc value of test substance Benzenamine, 4 -[(4 -aminophenyl)(4 -imino-2,5 -cyclohexadien-1 -ylidene)methyl]-, N-Me derivatives, molybdatesilicates was estimated to be 3330000000 L/kgindicating that the test chemical Benzenamine, 4 -[(4 -aminophenyl)(4 -imino-2,5 -cyclohexadien-1 -ylidene)methyl]-, N-Me derivatives, molybdatesilicates has a very strong sorption to soil and sediment and therefore have negligible migration potential to ground water.
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