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EC number: 281-638-9 | CAS number: 84000-82-8
Endpoint summary
Administrative data
Description of key information
Hydrolysis :
The half life of hydrolysis of test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate ( CAS no. 84000 -82 -8) was estimated by using OECD QSAR tool box v3.3 by considering six closest read across chemicals with log Kow as primary descriptor. The half life of test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate was estimated to be 200.07 days. On the basis of this half life value it is concluded that test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate is not hydrolysable.
Biodegradation in water :
Biodegradability of test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate (CAS no.84000-82-8) was estimated by
using OECD QSAR tool box v3.3 by considering six closest read across chemicals with log Kow as primary descriptor.
1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate undergoes 0.92% biodegradation by considering BOD as parameter and microrganisms as inoculum in 28 days. On the basis of this percent biodegradability value it can be concluded that test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate is not readily biodegradable.
Bioaccumulation : Aquatic/sediments:
Using BCFBAF Program (v3.00) model of EPI suite (2017) the estimated bio concentration factor (BCF) for 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate (CAS No.84000 -82 -8) is 0.500 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate is non bioaccumulative in food chain.
Adsorption:
The Soil Adsorption Coefficient i.e. Koc value of test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate (CAS No.84000-82-8) was estimated using EPI suite KOCWIN Program (v2.00) as 2.02E3 L/kg (log Koc= 3.3053) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate has negligible sorption to soil and therefore test chemical Moderate sorption to soils and sediment, slow migration potential to ground water.
Additional information
Hydrolysis :
The half life of hydrolysis of test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate ( CAS no. 84000 -82 -8) was estimated by using OECD QSAR tool box v3.3 by considering six closest read across chemicals with log Kow as primary descriptor. The half life of test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate was estimated to be 200.07 days. On the basis of this half life value it is concluded that test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate is not hydrolysable.
In another prediction hydrolysis of 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate ( CAS no. 84000 -82 -8) was estimated by HYDROWIN v2.00 program of Estimation Programs Interface (EPI Suite, 2017) prediction model was used to predict the hydrolysis half-life of test compound 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate (CAS No. 84000 -82 -8). The estimated half-life of 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate was estimated to be 16.3 days at pH 7 (at 25 deg C), indicating that it is not hydrolysable.
Biodegradation in water :
Various predicted data for the target compound1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate ( CAS no. 84000 -82 -8) and supporting weight of evidence studies for its read across substance were reviewed for the biodegradation end point which are summarized as below:
Biodegradability of test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate (CAS no.84000-82-8) was estimated by using OECD QSAR tool box v3.3 by considering six closest read across chemicals with log Kow as primary descriptor. 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate undergoes 0.92% biodegradation by considering BOD as parameter and microrganisms as inoculum in 28 days. On the basis of this percent biodegradability value it can be concluded that test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate is not readily biodegradable.
In another prediction by Estimation Programs Interface Suite (EPI suite, 2017) was run to predict the biodegradation potential of the test compound 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate(CAS no.84000 -82 -8) 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 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate is expected to be not readily biodegradable.
The above estimated results were supported by experimental result summarized in Advisory Board for Environmentally Relevant Existing Substances (BUA), Vol. 221, Pg. no. 42, 2000 for structurally and functionally read across substance N-benzyl-N-ethylaniline (CAS: 92-59-1).
Biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of test substance N-benzyl-N-ethylaniline (CAS no.92-59-1).The percentage degradation of test substance N-benzyl-N-ethylaniline was determined to be 0% by BOD parameter in 28 days. Thus, based on percentage degradation, N-benzyl-N-ethylaniline is considered to be not readily biodegradable in nature.
The above experimental data was further supported by experimental result summarized in Japan chemicals collaborative knowledge database (J-check), 2017 for structurally and functionally similar read across substance N, N-dimethylaniline (121-69-7).
Biodegradation study was conducted for 14 days for evaluating the percentage biodegradability of test substance N, N-dimethylaniline (CAS no. 121-69-7). Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of test substance N, N-dimethylaniline was determined to be1.9, 12.3 and 0% by BOD, TOC removal and GC parameter in 14 days. Thus, based on percentage degradation, N, N-dimethylaniline is considered to be not readily biodegradable in nature.
On the basis of above results for target chemical1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate(from OECD QSAR toolbox version 3.3 and EPI suite, 2017) and for its read across substance (from authoritative database J-CHECK &Advisory Board for Environmentally Relevant Existing Substancesand peer reviewed journal), it can be concluded that the test substance1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetatecan be expected to be not readily biodegradable in nature.
Bioaccumulation : Aquatic/sediments:
Various predicted data for the target compound1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate ( CAS no. 84000 -82 -8) and supporting weight of evidence studies for its read across substance were reviewed for the bioaccumulation end point which are summarized as below.
Using BCFBAF Program (v3.00) model of EPI suite (2017) the estimated bio concentration factor (BCF) for 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate (CAS No.84000 -82 -8) is 0.500 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate is non bioaccumulative in food chain.
The above predicted data was supported by experimental result summarized in J-CHECK Japan Chemicals Collaborative Knowledge database, 2017 for functionally similar read across substance Benzyldimethylamine (CAS:103-83-3).
The test material N,N-Dimethylbenzylamine was subjected for evaluation of bio-accumulative potential on Cyprinus carpio fish for 6 weeks with Nominal concentrations 1st Concentration area : 0.5 mg/L, 2nd Concentration area : 0.05 mg/LThe observed BCF value was considered to be in the range of <=6.2– 22 . Thus based on the result it is concluded that the test substanceNominal concentrations 1st Concentration area : 0.5 mg/L, 2nd Concentration area : 0.05 mg/L is non-bioaccumulative in nature, because the bioconcentration factor in fish is less than 2000. Hence,Nominal concentrations 1st Concentration area : 0.5 mg/L, 2nd Concentration area : 0.05 mg/L was considered to be not bio-accumulative.
The above experimental data was further supported by experimental result summarized in J-CHECK Japan Chemicals Collaborative Knowledge database, 2017 for functionally similar read across substance
The test materialN-Methylacetanilide was subjected for evaluation of bio-accumulative potential on Cyprinus carpio fish for 6 weeks withNominal concentrations 1st Concentration area: 1 mg/l(w/v), 2nd Concentration area: 0.1 mg/l(w/v)The observed BCF value was considered to be <=1.7 . Thus based on the result it is concluded that the test substanceNominal concentrations 1st Concentration area: 1 mg/l(w/v), 2nd Concentration area: 0.1 mg/l(w/v)is non-bioaccumulative in nature, because the bioconcentration factor in fish is less than 2000. Hence,Nominal concentrations 1st Concentration area: 1 mg/l(w/v), 2nd Concentration area: 0.1 mg/l(w/v) was considered to be not bio-accumulative.
On the basis of above results for target chemical1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate( EPI suite, 2017) and for its read across substance (from authoritative database J-CHECK &Advisory Board for Environmentally Relevant Existing Substancesand peer reviewed journal), it can be concluded that the test substance1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetatecan be expected to benot bio-accumulative.
Adsorption:
The Soil Adsorption Coefficient i.e. Koc value of test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate (CAS No.84000-82-8) was estimated using EPI suite KOCWIN Program (v2.00) as 2.02E L/kg (log Koc= 3.3053) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate has negligible sorption to soil and therefore test chemical Moderate sorption to soils and sediment, slow migration potential to ground water.
On the basis of above results for target chemical1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate( EPI suite, 2017) , it can be concluded that the test substance1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetatecan be expected to has negligible sorption to soil and therefore test chemical Moderate sorption to soils and sediment, slow migration potential to ground water..
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