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EC number: 249-670-8 | CAS number: 29508-47-2
- 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
Endpoint summary
Administrative data
Description of key information
Skin irritation:
The dermal irritation potential of 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloridewa s estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride was estimated to be not irritating to the skin of New Zealand White rabbits.
Based on the estimated results, 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride can be considered to be not irritating to skin and can be classified under the category “Not Classified” as per CLP regulation.
Eye irritation:
The ocular irritation potential of 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloridewa s estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride was estimated to be not irritating to the eye of New Zealand White rabbits.
Based on the estimated results, 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride can be considered to be not irritating to eye and can be classified under the category “Not Classified” as per CLP regulation.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vivo
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Justification for type of information:
- Data is from safety assessment report
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 404 (Acute Dermal Irritation / Corrosion)
- Principles of method if other than guideline:
- To assess dermal irritation potential of 2-[[4-(Di-methyl amino)phenyl] azo]-1,3-dimethyl-1H-imidazolium chloride on New Zealand White Rabbits.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- IUPAC name: 2-[[4-(Di-methyl amino)phenyl] azo]-1,3-dimethyl-1H-imidazolium chloride
- Name of test material (as cited in study report): Basic Red 51
- Molecular formula (if other than submission substance): C13H18ClN5
- Molecular weight (if other than submission substance): 279.6 g/mol
- Substance type: organic
- Physical state: Powder
- Purity:97.2% by UV-VIS ; 98.8% by HPLC
- Impurities (identity and concentrations): approx 2%
InChI :1S/C13H18N5.ClH/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;/h5-10H,1-4H3;1H/q+1;/p-1
Smiles :c1([n+](ccn1C)C)\N=N\c1ccc(cc1)N(C)C.[ClH-] - Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or test system and environmental conditions:
- sex:Male and female
- Type of coverage:
- semiocclusive
- Preparation of test site:
- clipped
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- 0.5g
- Duration of treatment / exposure:
- 4 hrs
- Observation period:
- 0.5, 1, 24, 48 and 72 hours
- Number of animals:
- Total = 3
1 male, 2 females - Details on study design:
- TEST SITE
- Area of exposure: back and flanks (6.25cm2)
- % coverage: semi-occlusive dressing.
- Type of wrap if used: No data
REMOVAL OF TEST SUBSTANCE
- Washing (if done): No data
- Time after start of exposure: 4 hrs
SCORING SYSTEM: primary irritation index - Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 72 h
- Score:
- 0
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- No erythema or oedema was observed
- Interpretation of results:
- other: Not irritating
- Conclusions:
- 2-[[4-(Di-methyl amino)phenyl] azo]-1,3-dimethyl-1H-imidazolium chloride was applied on the back and flank of New Zealand white Rabbit in concentration 0.5 g. No erythema or oedema was observed . The primary irritation index was 0.0. Hence , 2-[[4-(Di-methyl amino)phenyl] azo]-1,3-dimethyl-1H-imidazolium chloride was considered to be not irritating to rabbit skin.
- Executive summary:
2-[[4-(Di-methyl amino)phenyl] azo]-1,3-dimethyl-1H-imidazolium chloride was used as a test material to evaluate skin irritation potential of New Zealand white Rabbit . The study was conducted according to guideline 404 (1981). The test material was applied on the clipped back and flanks of the rabbits to an area of 6.25 cm2under a semi-occlusive dressing. The patches were removed after 4 hours and observations made at 0.5, 1, 24, 48 and 72 hours after removal.
No erythema or oedema was observed. The primary irritation index was 0.0. Hence, 2-[[4-(Di-methyl amino)phenyl] azo]-1,3-dimethyl-1H-imidazolium chloride was considered to be not-irritating to the rabbit skin.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- Data is predicted using OECD QSAR toolbox version 3.3 and QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction was done by using OECD QSAR toolbox v3.3,
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of the test material: 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride
- IUPAC name: 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride
- Molecular formula: C18H21N6Cl
- Moleclar weight: 356.8589 g/mol
- Substance type: Organic
- Smiles: Cc1cn[n+](n1/N=N/c2ccc(cc2)N(C)Cc3ccccc3)C.[Cl-]
- Inchi: 1S/C18H21N6.ClH/c1-15-13-19-23(3)24(15)21-20-17-9-11-18(12-10-17)22(2)14-16-7-5-4-6-8-16;/h4-13H,14H2,1-3H3;1H/q+1;/p-1/b21-20+; - Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or tissues and environmental conditions:
- No data available
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- No data available
- Duration of treatment / exposure:
- No data available
- Duration of post- treatment incubation (in vitro):
- No data available
- Number of animals or in vitro replicates:
- No data available
- Details on study design:
- No data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- other: Not speciified
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- No indication of ocular irritation estimated
- Interpretation of results:
- other: Not irritating
- Conclusions:
- 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride was considered to be not irritating to rabbit eye.
- Executive summary:
The ocular irritation potential of 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloridewa s estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride was estimated to be not irritating to the eye of New Zealand White rabbits.
Based on the estimated results, 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride can be considered to be not irritating to eye and can be classified under the category “Not Classified” as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((((((((((("a"
or "b" )
and ("c"
and (
not "d")
)
)
and "e" )
and "f" )
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and "k" )
and "l" )
and ("m"
and (
not "n")
)
)
and ("o"
and (
not "p")
)
)
and ("q"
and (
not "r")
)
)
and ("s"
and (
not "t")
)
)
and ("u"
and (
not "v")
)
)
and ("w"
and (
not "x")
)
)
and ("y"
and (
not "z")
)
)
and ("aa"
and (
not "ab")
)
)
and ("ac"
and (
not "ad")
)
)
and ("ae"
and (
not "af")
)
)
and ("ag"
and "ah" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Michael addition OR Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals OR Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Arenes OR SN1 OR SN1 >> Iminium Ion
Formation OR SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines
OR SN1 >> Nitrenium Ion formation OR SN1 >> Nitrenium Ion formation >>
Aromatic azo OR SN1 >> Nitrenium Ion formation >> Tertiary aromatic
amine OR SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic azo
by DNA binding by OECD ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Moderate binder, NH2 group OR
Moderate binder, OH grooup OR Non binder, impaired OH or NH2 group OR
Non binder, MW>500 OR Non binder, non cyclic structure OR Strong binder,
NH2 group OR Strong binder, OH group OR Very strong binder, OH group OR
Weak binder, NH2 group OR Weak binder, OH group by Estrogen Receptor
Binding
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No superfragment by
Superfragments ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Halogens AND Non-Metals by
Groups of elements
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Alkali Earth by Groups of
elements
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 15
- Nitrogen N AND Group 17 - Halogens Cl AND Group 17 - Halogens
F,Cl,Br,I,At by Chemical elements
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Group 16 - Sulfur S by Chemical
elements
Domain
logical expression index: "k"
Similarity
boundary:Target:
CN{+}1(.Cl{-})C(N=Nc2ccc(N(C)Cc3ccccc3)cc2)N(C)C=N1
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "l"
Similarity
boundary:Target:
CN{+}1(.Cl{-})C(N=Nc2ccc(N(C)Cc3ccccc3)cc2)N(C)C=N1
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Amine AND Anion AND Aromatic
compound AND Cation AND Heterocyclic compound AND Tertiary amine AND
Tertiary mixed amine by Organic functional groups, Norbert Haider
(checkmol)
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Hydroperoxide OR Hydroxy
compound OR Ketone OR Lactam OR Nitrile OR Oxime OR Peroxide OR Primary
alcohol by Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic
Nitrogen, one aromatic attach [-N] AND Amino, aliphatic attach [-N<] AND
Aromatic Carbon [C] AND Aromatic-N-C-Aromatic AND Azo [-N=N-] AND
Nitrogen {v+5}, nitrogen attach AND Nitrogen, hydrogen attach {v+5} AND
Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Olefinic carbon [=CH2] by
Organic functional groups (US EPA)
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic
Nitrogen, one aromatic attach [-N] AND Amino, aliphatic attach [-N<] AND
Aromatic Carbon [C] AND Aromatic-N-C-Aromatic AND Azo [-N=N-] AND
Nitrogen {v+5}, nitrogen attach AND Nitrogen, hydrogen attach {v+5} AND
Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Nitrogen, two or tree olefinic
attach [>N-] by Organic functional groups (US EPA)
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic
Nitrogen, one aromatic attach [-N] AND Amino, aliphatic attach [-N<] AND
Aromatic Carbon [C] AND Aromatic-N-C-Aromatic AND Azo [-N=N-] AND
Nitrogen {v+5}, nitrogen attach AND Nitrogen, hydrogen attach {v+5} AND
Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [C] by Organic
functional groups (US EPA)
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic
Nitrogen, one aromatic attach [-N] AND Amino, aliphatic attach [-N<] AND
Aromatic Carbon [C] AND Aromatic-N-C-Aromatic AND Azo [-N=N-] AND
Nitrogen {v+5}, nitrogen attach AND Nitrogen, hydrogen attach {v+5} AND
Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Amino, aliphatic attach [-NH2]
by Organic functional groups (US EPA)
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Ammonium salt AND Aromatic amine
AND Aryl AND Azo AND Benzyl AND Overlapping groups AND Unsaturated
heterocyclic amine AND Unsaturated heterocyclic fragment by Organic
Functional groups (nested)
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Piperidine by Organic Functional
groups (nested)
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Amidine AND Ammonium salt AND
Aromatic amine AND Aryl AND Azo AND Benzyl AND Unsaturated heterocyclic
amine AND Unsaturated heterocyclic fragment by Organic Functional groups
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Alkyl arenes by Organic
Functional groups
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4
g/kg AND Group All Melting Point > 200 C AND Group CN Melting Point >
180 C AND Group CN Molecular Weight > 290 g/mol AND Group CN Vapour
Pressure < 0.001 Pa by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "ab"
Referential
boundary: The
target chemical should be classified as Group CNHal Aqueous Solubility <
0.001 g/L OR Group CNHal Aqueous Solubility < 0.1 g/L OR Group CNHal log
Kow > 3.8 by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "ac"
Referential
boundary: The
target chemical should be classified as H-acceptor-path3-H-acceptor by
in vivo mutagenicity (Micronucleus) alerts by ISS
Domain
logical expression index: "ad"
Referential
boundary: The
target chemical should be classified as No alert found by in vivo
mutagenicity (Micronucleus) alerts by ISS
Domain
logical expression index: "ae"
Referential
boundary: The
target chemical should be classified as H-acceptor-path3-H-acceptor by
in vivo mutagenicity (Micronucleus) alerts by ISS
Domain
logical expression index: "af"
Referential
boundary: The
target chemical should be classified as Aliphatic halogen OR Aliphatic
N-nitro group OR Aromatic mono- and dialkylamine by in vivo mutagenicity
(Micronucleus) alerts by ISS
Domain
logical expression index: "ag"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -0.593
Domain
logical expression index: "ah"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.5
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation :
In different studies, 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride has been investigated for potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits along with human data for target chemical and its structurally similar read across substance 2-[[4-(Di-methyl amino)phenyl] azo]-1,3-dimethyl-1H-imidazolium chloride (77061-58-6) and closely related read across substance 1,3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (58-08-2) . The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
The dermal irritation potential of 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloridewa s estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride was estimated to be not irritating to the skin of New Zealand White rabbits.
Based on the estimated results, 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride can be considered to be not irritating to skin and can be classified under the category “Not Classified” as per CLP regulation.
The above estimated data was supported by the experimental result summarized in Hazardous Substances Data Bank (HSDB) for caffeine U.S National Library of Medicine 2017 for the closely related read across substance 1,3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (58-08-2)
1,3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione was used as a test material to evaluate its skin irritation potential onWhite Vienna rabbits. The test material was applied on the skin of rabbit in the concentration 500mg 50 % (w/w) aqueous solution in a semiocclusive condition for 4 hrs. the application patches were removed, and the application sites were washed with water and Lutrol/water
(1/1). The skin was scored at 30-60 minutes after removal of the patches and at 24, 48, and 72 h.
No signs of irritation were observed; irritation indices (erythema and edema) were 0 in each animal at each reading time. Hence,1,3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione is considered to be not irritating to rabbit skin.
The above result was supported by experimental study summarized in Opinion of the SCCNFP on Basic red 51 during the 25th plenary meeting 2003 for the structurally similar read across substance 2-[[4-(Di-methyl amino)phenyl] azo]-1,3-dimethyl-1H-imidazolium chloride (77061-58-6).
2-[[4-(Di-methyl amino)phenyl] azo]-1,3-dimethyl-1H-imidazolium chloride was used as a test material to evaluate skin irritation potential of New Zealand white Rabbit . The study was conducted according to guideline 404 (1981). The test material was applied on the clipped back and flanks of the rabbits to an area of 6.25 cm2under a semi-occlusive dressing. The patches were removed after 4 hours and observations made at 0.5, 1, 24, 48 and 72 hours after removal.
No erythema or oedema was observed. The primary irritation index was 0.0. Hence, 2-[[4-(Di-methyl amino)phenyl] azo]-1,3-dimethyl-1H-imidazolium chloride was considered to be not-irritating to the rabbit skin.
Based on the available data for the target and read across substances and applying the weight of evidence approach, 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride can be considered to be not irritating to skin.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified.”
Eye irritation:
In different studies, 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride has been investigated for potential for ocular irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits along with human data for target chemical and its structurally similar read across substance Benzyldimethylamine(103-83-3) and closely related read across substance 1-phenylethyl acetate(93-92-5) . The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
The ocular irritation potential of 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloridewa s estimated using OECD QSAR toolbox v3.3 with logPow as the primary descriptor.
5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride was estimated to be not irritating to the eye of New Zealand White rabbits.
Based on the estimated results, 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride can be considered to be not irritating to eye and can be classified under the category “Not Classified” as per CLP regulation.
The above estimated result was supported by experimental data summarized in GESTIS - Substance Database (Information system on hazardous substances of the Berufsgenossenschaften), 2017 for the structurally similar read across substance Benzyldimethylamine(103-83-3)
The ocular irritation potential of Benzyldimethylamine was assessed in Rabbits.
Five μl of the test chemical was instilled in the conjunctival sac of the rabbits (number not mentioned) for 24 hours. The animals were observed for signs of irritation till 7 days.
Inflammation of the conjunctiva and the iris in rabbit eyes after an exposure period of 24 hours, accompanied by a severe damage of large areas of the cornea was observed in the test animals. These effects were completely reversible in 7 days.
Since the effects were fully reversible, benzyldimethylamine can be considered to be not irritating to eyes.
The above result was supported by experimental data summarized in Food and cosmetology volume 14 page no.611 1976 for the closely related read across substance 1-phenylethyl acetate(93-92-5) .
1-phenylethyl acetate was used as a test material to evaluate ocular irritation potential on rabbits. No ocular irritation was observed. Hence, 1-phenylethyl acetate was considered to be not irritating to rabbit eye.
Based on the available data for the target and read across substances and applying the weight of evidence approach, 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride can be considered to be not irritating to eye.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified.”
Justification for classification or non-classification
Based on the available data for the target and read across substances and applying the weight of evidence approach, 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride can be considered to be not irritating to skin and eye.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified.”
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