1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate

Endpoint summary

Description of key information

Short term toxicity to fish:

Prediction done by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program, to determine the LC 50 value for short term toxicity to aquatic fish.

On the basis of this program, the LC 50 value for short term toxicity to aquatic fish was predicted to be 113.560 mg/L for 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate in 96 hrs. Based on this value it can be concluded that the substance 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate is considered to be non toxic to aquatic environment and can be classified in non classified category as per the criteria mentioned in CLP regulation.

Short term toxicity to aquatic invertebrate:

Short term toxicity of test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate (CAS no. 84000-82-4)  to aquatic invertebrate i.e., Daphnia Magna was estimated by using OECD QSAR tool box v3.3 and by considering five closest read across chemicals. EC 50 value was determined to be 298.68 mg/L in 48 hrs. By considering LC50 value it is concluded that test chemical 41,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate is not toxic to daphnia magna and can be considered as not classified according to CLP classification criteria.

Toxicity to aquatic algae and cyanobacteria:

Toxicity of test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate (CAS no.84000-82-4) was estimated by using OECD QSAR tool box v3.3 with log Kow as primary descriptor and considering the seven closest read across substances. When test chemical was exposed for 72 hrs on Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) alga, EC50 value was estimated to be 191.91 mg/L. By considering EC50 value it is concluded that test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate is not toxic to aquatic algae and can be considered as not according to CLP classification criteria.

Toxicity to microorganisms:

Toxicity to microorganisms of target chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate was estimated by using OECD QSAR tool box v3.3 using Log kow as primary descriptor and considering five closest read across substances. IGC50 value of target chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate was estimated to be 507.07 mg/L when exposed to Tetrahymena pyriformis for 48 hrs.

Additional information

Short term toxicity to fish:

Predicted data for target chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate (CAS no. 84000-82-4) and experimental data for structurally similar read across chemical have been studied for Short term toxicity to fish endpoint and their results are summarized below.

In first weight of evidence study the prediction was done by using Estimation Program Interface (EPI suite, 2017) ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program, to determine the LC 50 value for short term toxicity to aquatic fish. On the basis of this program, the LC 50 value for short term toxicity to aquatic fish was predicted to be 113.560 mg/L for 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate in 96 hrs.

Third weight of evidence study was done from Terrestrial and Aquatic Environmental Toxicology, Global Science books, 2010 in this study for determination of short term toxicity of structurally similar read across chemical (5RS)-2-[(1EZ)-1-[(2E)-3-chloroallyloxyimino]propyl]-5-[(2RS)-2-(ethylthio)propyl]-3-hydroxycyclohex-2-en-1-one an experiment was performed on fish Tilapia guineensis which is obtained from fresh water body at Itedo Zion Village in the Lekki area of Lagos State, Nigeria then this fish were acclimatized in natural habitat water at 28°C and fed on a normal fish meal diet obtained from a local fisherman for 10 days. Stock solution of concentration 20 g/L of test chemical was prepared and then it is diluted to obtained different concentrations test chemical. Concentration of test solution made for the study were 100, 200, 400, 800 and 1,600 mg/L then 20 fish in group of 5 were placed in test solution of different concentration as mentioned above. Physiochemical parameters were checked for each test solution at starting and ending of test. Temperature of test solution at starting and ending of test was 27oC and pH at starting of test was 7.2 and at ending of test was 6.8. Then samples were analysed at different time interval 24 hrs, 48 hrs and 96 hrs for LC50 value on the basis of mortality.LC 50 values of read across chemical (5RS)-2-[(1EZ)-1-[(2E)-3-chloroallyloxyimino]propyl]-5-[(2RS)-2-(ethylthio)propyl]-3-hydroxycyclohex-2-en-1-one was d observed to be 328.8, 175.6 and 140.6 mg/L when read across chemical (5RS)-2-[(1EZ)-1-[(2E)-3-chloroallyloxyimino]propyl]-5-[(2RS)-2-(ethylthio)propyl]-3-hydroxycyclohex-2-en-1-one was exposed to fishTilapia guineensis fish for 24 hrs, 48 hrs and 96 hrs respectively. On the basis of these LC50 values it is concluded that read across chemical is non toxic to aquatic organisms and can be considered to be not classified according to CLP classification criteria.

Last weight of evidence study was done from authoritative database in this study the Short term toxicity to fish Danio rerio was determined by exposing it to read across chemical (5RS)-2-[(1EZ)-1-[(2E)-3-chloroallyloxyimino]propyl]-5-[(2RS)-2-(ethylthio)propyl]-3-hydroxycyclohex-2-en-1-one (CAS no. 99129-21-2). LC 50 value was determined to be 133 mg/L in 96 hrs. Since LC 50 value is greater than 100 mg/L  read across chemical (5RS)-2-[(1EZ)-1-[(2E)-3-chloroallyloxyimino]propyl]-5-[(2RS)-2-(ethylthio)propyl]-3-hydroxycyclohex-2-en-1-one is considered as not classified according to CLP classification criteria.

On the basis of all the studies mentioned above LC50 value of test chemical1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate (CAS no. 84000-82-4) for short term toxicity to fish is in range of 113.560 -361.91 mg/L by this value it is concluded that this test chemical is non toxic to fish and considered as not classified according to CLP classification criteria.

Short term toxicity to aquatic invertebrate:

Predicted data for target chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate (CAS no. 84000-82-4) and experimental data for closest read across chemical with log Kow as primary descriptor have been studied for Short term toxicity to fish endpoint and their results are summarized below.

The first weight of evidence study was done by using Estimation Program Interface (EPI suite 2017), ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of this program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 251.651 mg/l for test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate in 48 hrs. Based on this value it can be concluded that the substance is considered to be not toxic to aquatic environment and can be consider as not classified as per the criteria mentioned in CLP regulation.

Next weight of evidence study was done for read across chemical 1-Methylpyrrolidine from authoritative database (Ecotox, 2017) in this study the short term toxicity to Daphnia Magna was determined by exposing it to read across chemical 1-Methylpyrrolidine (CAS no. 120-94-5) and LC 50 value was determined to be 5000 mg/L. By considering LC 50 value it is concluded that test chemical 1-Methylpyrrolidine is considered as not classified according to CLP classification criteria.

 

Similarly another weight of evidence study was done from authoritative database (Ecotox, 2017) in this study the Short term toxicity to aquatic invertebrate Penaeus duorarum was determined by exposing it to read across chemical 7a-ethyl-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole (CAS no. 7747-35-5) and LC50 value was determined to be 138 mg/L on the basis of mortality for 96 hrs. Based on LC 50 value it is concluded that test chemical 7a-ethyl-tetrahydro-1H-[1,3]oxazolo [3,4-c][1,3]oxazole is considered as not classified according to CLP classification criteria.

On the basis of all the studies mentioned above LC50 value of test chemical1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate (CAS no. 84000-82-4) for short term toxicity to aquatic invertebrate is in range of 251.651- 298.68 mg/L by this value it is concluded that this test chemical is non toxic to fish and considered as not classified according to CLP classification criteria.

Toxicity to aquatic algae and cyanobacteria:

Predicted data from different sources have been studied to determine toxicity to aquatic algae of target chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate (CAS no. 84000-82-4) and their results are summarized below.

In first study the toxicity of test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate (CAS no. 84000-82-4) was estimated by using OECD QSAR tool box v3.3 with log Kow as primary descriptor and considering the seven closest read across substances. When test chemical was exposed for 72 hrs on Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) alga, EC50 value was estimated to be 191.91 mg/L.

In another study the short-term toxicity of the test substance 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate (CAS no.84000-82-8) to green algae is predicted using Estimation Program Interface (EPI Suite, 2017) ECOSAR version 1.10. On the basis of effects observed in a static freshwater system during a 96 hr exposure, the effect concentration (EC50) for the substance is estimated to be 117.732 mg/L.

By considering both the studies it can be concluded that the test chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate  can be considered as non-toxic to green algae at environmentally relevant concentrations and can be considered not-classified as per the CLP classification criteria.

Toxicity to microorganisms:

Toxicity to microorganisms of target chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate was estimated by using OECD QSAR tool box v3.3 using Log kow as primary descriptor and considering five closest read across substances. IGC50 value of target chemical 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate was estimated to be 507.07 mg/L when exposed to Tetrahymena pyriformis for 48 hrs.