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EC number: 281-638-9 | CAS number: 84000-82-8
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Data is from computational model developed by USEPA
- Justification for type of information:
- Data is from computational model developed by USEPA
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- ECOSAR estimates log Kow values using the US EPA's KOWWIN Program for aquatic toxicity.Toxicity of a chemical was measured on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program based upon the octanol /water partition coefficient (Kow). Data from ECOSAR class,neutral organics was used.
The estimation methods in EPI Suite™ have been developed by government, academic, and private sector researchers over many years and represent some of the best techniques currently available. The intended application domain of EPI Suite is organic chemicals, and inorganic as well as organometallic chemicals generally can be considered outside the domain. - GLP compliance:
- no
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate
- Common name: 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate
- Molecular formula: C18H21N6.C2H3O2
- Molecular weight: 380.4496 g/mol
- Smiles notation: CC(=O)[O-].Cn1cn[n+](c1/N=N/c2ccc(cc2)N(C)Cc3ccccc3)C
- InChl: 1S/C18H21N6.C2H4O2/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;1-2(3)4/h4-12,14H,13H2,1-3H3;1H3,(H,3,4)/q+1;/p-1
- Substance type: Organic - Test organisms (species):
- Daphnia magna
- Test type:
- not specified
- Water media type:
- not specified
- Total exposure duration:
- 48 h
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 251.651 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- not specified
- Remarks on result:
- other: Neutral Organics
- Validity criteria fulfilled:
- not specified
- Conclusions:
- On the basis of EPI suite, ECOSAR version 1.1, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 251.651mg/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. - Executive summary:
Based on the 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, 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 acetatein 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.
Reference
Description of key information
Based on the 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, 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 acetatein 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.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 251.651 mg/L
Additional information
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.
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