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EC number: 210-540-0 | CAS number: 618-03-1
- 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 skin irritation potential of methyl(trioctyl)azanium chloride was estimated using OECD QSAR toolbox v3.3 with log Pow as the primary descriptor. methyl(trioctyl)azanium chloride was estimated to be not irritating to the skin of rabbits. Based on the estimated results, methyl(trioctyl)azanium 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 methyl(trioctyl)azanium chloride was estimated using OECD QSAR toolbox v3.3 with log Pow as the primary descriptor. methyl(trioctyl)azanium chloride was estimated to be irritating to the eye of rabbits. Based on the estimated results, methyl(trioctyl)azanium chloride can be considered to be irritating to eye and can be classified under the category “ Category 2 (irritating to eyes) based on GHS criteria” 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:
- (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 test material (IUPAC name): 2-aminotoluene-4-sulphonic acid
- Molecular formula: C7H9NO3S
- Molecular weight: 187.218 g/mol
- Smiles notation: O=S(=O)(O)c1ccc(c(N)c1)C
- InChl: 1S/C7H9NO3S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
- Substance type: Organic
- Physical state: Solid powder (white to pinkish white) - Species:
- rabbit
- Strain:
- not specified
- Details on test animals or test system and environmental conditions:
- No data available
- Type of coverage:
- not specified
- Preparation of test site:
- not specified
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- No data available
- Duration of treatment / exposure:
- No data available
- Observation period:
- No data available
- Number of animals:
- No data available
- Details on study design:
- No data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- other: not specified
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Interpretation of results:
- other: Not irritating
- Conclusions:
- 2-aminotoluene-4-sulphonic acid was considered to be not irritating to skin .
- Executive summary:
The skin irritation potential of methyl(trioctyl)azanium chloride was estimated using OECD QSAR toolbox v3.3 with log Pow as the primary descriptor. methyl(trioctyl)azanium chloride was estimated to be not irritating to the skin of rabbits. Based on the estimated results, methyl(trioctyl)azanium chloride can be considered to be not irritating to skin and can be classified under the category “ Not classified” as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 8 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and "g" )
and "h" )
and "i" )
and "j" )
and "k" )
and "l" )
and "m" )
and ("n"
and "o" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Anilines (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Moderate binder, NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acid moiety OR Anilines
(Hindered) by Aquatic toxicity classification by ECOSAR ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Radical OR Radical >> Radical
mechanism via ROS formation (indirect) OR Radical >> Radical mechanism
via ROS formation (indirect) >> Single-Ring Substituted Primary Aromatic
Amines OR SN1 OR SN1 >> Nucleophilic attack after metabolic nitrenium
ion formation OR SN1 >> Nucleophilic attack after metabolic nitrenium
ion formation >> Single-Ring Substituted Primary Aromatic Amines by DNA
binding by OASIS v.1.3 ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS v1.3
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Ester
aminolysis OR Acylation >> Ester aminolysis >> Amides OR SN2 OR SN2 >>
SN2 Reaction at a sp3 carbon atom OR SN2 >> SN2 Reaction at a sp3 carbon
atom >> Activated alkyl esters and thioesters OR SNAr OR SNAr >>
Nucleophilic aromatic substitution on activated aryl and heteroaryl
compounds OR SNAr >> Nucleophilic aromatic substitution on activated
aryl and heteroaryl compounds >> Activated aryl and heteroaryl compounds
by Protein binding by OASIS v1.3
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No superfragment by
Superfragments ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Class 5 (Not possible to
classify according to these rules) by Acute aquatic toxicity
classification by Verhaar (Modified) ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "k"
Similarity
boundary:Target:
Cc1ccc(S(O)(=O)=O)cc1N
Threshold=10%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "l"
Similarity
boundary:Target:
Cc1ccc(S(O)(=O)=O)cc1N
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "m"
Similarity
boundary:Target:
Cc1ccc(S(O)(=O)=O)cc1N
Threshold=40%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -4
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.89
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 test material (IUPAC name): 2-aminotoluene-4-sulphonic acid
- Molecular formula: C7H9NO3S
- Molecular weight: 187.218 g/mol
- Smiles notation: O=S(=O)(O)c1ccc(c(N)c1)C
- InChl: 1S/C7H9NO3S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
- Substance type: Organic
- Physical state: Solid powder (white to pinkish white) - Species:
- rabbit
- Strain:
- not specified
- Details on test animals or tissues and environmental conditions:
- No data available
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- not specified
- Duration of treatment / exposure:
- not specified
- Observation period (in vivo):
- not specified
- Number of animals or in vitro replicates:
- not specified
- Details on study design:
- not specified
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- other: not specified
- Reversibility:
- not specified
- Remarks on result:
- positive indication of irritation
- Interpretation of results:
- Category 2 (irritating to eyes) based on GHS criteria
- Conclusions:
- Methyl(trioctyl)azanium chloride was considered to be irritating to eye.
- Executive summary:
The ocular irritation potential of methyl(trioctyl)azanium chloride was estimated using OECD QSAR toolbox v3.3 with log Pow as the primary descriptor. methyl(trioctyl)azanium chloride was estimated to be irritating to the eye of rabbits. Based on the estimated results, methyl(trioctyl)azanium chloride can be considered to be irritating to eye and can be classified under the category “ Category 2 (irritating to eyes) based on GHS criteria” as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 7 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((((((((((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and ("g"
and (
not "h")
)
)
and "i" )
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and "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 (
not "ah")
)
)
and ("ai"
and (
not "aj")
)
)
and "ak" )
and ("al"
and (
not "am")
)
)
and ("an"
and "ao" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Anilines (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Moderate binder, NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acid moiety OR Anilines
(Hindered) by Aquatic toxicity classification by ECOSAR ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Radical OR Radical >> Radical
mechanism via ROS formation (indirect) OR Radical >> Radical mechanism
via ROS formation (indirect) >> Single-Ring Substituted Primary Aromatic
Amines OR SN1 OR SN1 >> Nucleophilic attack after metabolic nitrenium
ion formation OR SN1 >> Nucleophilic attack after metabolic nitrenium
ion formation >> Single-Ring Substituted Primary Aromatic Amines by DNA
binding by OASIS v.1.3 ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Direct
Acylation Involving a Leaving group OR Acylation >> Direct Acylation
Involving a Leaving group >> Acetates OR SN2 OR SN2 >> SN2 reaction at
sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon atom >> Allyl
acetates and related chemicals OR SNAr OR SNAr >> Nucleophilic aromatic
substitution OR SNAr >> Nucleophilic aromatic substitution >> Activated
halo-benzenes by Protein binding by OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS v1.3
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Ester
aminolysis OR Acylation >> Ester aminolysis >> Amides by Protein binding
by OASIS v1.3
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Alkali Earth OR Halogens by
Groups of elements
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Alkyl arenes AND Aniline AND
Aryl AND Sulfonic acid by Organic Functional groups
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, primary OR
Alkene OR Alkoxy by Organic Functional groups
Domain
logical expression index: "n"
Similarity
boundary:Target:
Cc1ccc(S(O)(=O)=O)cc1N
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Benzene/ Naphthalene sulfonic
acids (Less susceptible) Rank C by Repeated dose (HESS)
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as p-Aminophenols (Renal toxicity)
Rank B OR Thiocarbamates/Sulfides (Hepatotoxicity) No rank by Repeated
dose (HESS)
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Benzene/ Naphthalene sulfonic
acids (Less susceptible) Rank C by Repeated dose (HESS)
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Nitrophenols/ Halophenols
(Energy metabolism dysfuntion) Rank B by Repeated dose (HESS)
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Benzene/ Naphthalene sulfonic
acids (Less susceptible) Rank C by Repeated dose (HESS)
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Nitrobenzenes (Hemolytic anemia
with methemoglobinemia) Rank A by Repeated dose (HESS)
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Benzene/ Naphthalene sulfonic
acids (Less susceptible) Rank C by Repeated dose (HESS)
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as 3-Methylcholantrene
(Hepatotoxicity) Alert OR 4,4'-Methylenedianilines/benzidines
(Hepatobiliary toxicity) Rank B by Repeated dose (HESS)
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Amine AND Aromatic compound AND
Primary amine AND Primary aromatic amine AND Sulfonic acid AND Sulfonic
acid derivative by Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Alkylarylether OR Carbonic acid
derivative OR Carboxylic acid OR Carboxylic acid amide OR Carboxylic
acid derivative OR Carboxylic acid ester OR Carboxylic acid prim. amide
OR CO2 derivative (general) OR Ether OR Heterocyclic compound OR Hydroxy
compound OR Phenol OR Sulfuric acid derivative OR Sulfuric acid
monoester by Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Alkyl arenes AND Aniline AND
Aryl AND Sulfonic acid by Organic Functional groups
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Isopropyl by Organic Functional
groups
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as Alkyl arenes AND Aniline AND
Aryl AND Sulfonic acid by Organic Functional groups
Domain
logical expression index: "ab"
Referential
boundary: The
target chemical should be classified as Aminoaniline, para by Organic
Functional groups
Domain
logical expression index: "ac"
Referential
boundary: The
target chemical should be classified as Alkyl arenes AND Aniline AND
Aryl AND Sulfonic acid by Organic Functional groups
Domain
logical expression index: "ad"
Referential
boundary: The
target chemical should be classified as Aminoaniline, meta by Organic
Functional groups
Domain
logical expression index: "ae"
Referential
boundary: The
target chemical should be classified as No alert found by rtER Expert
System ver.1 - USEPA
Domain
logical expression index: "af"
Referential
boundary: The
target chemical should be classified as 4-Alkylanilines by rtER Expert
System ver.1 - USEPA
Domain
logical expression index: "ag"
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: "ah"
Referential
boundary: The
target chemical should be classified as No alert found by in vivo
mutagenicity (Micronucleus) alerts by ISS
Domain
logical expression index: "ai"
Referential
boundary: The
target chemical should be classified as Aromatic amine [-NH2 or
-NH-] AND Aromatic-CH3 AND Aromatic-H AND Sulfonic acid / salt ->
aromatic attach by Biodegradation fragments (BioWIN MITI)
Domain
logical expression index: "aj"
Referential
boundary: The
target chemical should be classified as Methyl [-CH3] by Biodegradation
fragments (BioWIN MITI)
Domain
logical expression index: "ak"
Referential
boundary: The
target chemical should be classified as Very fast by Bioaccumulation -
metabolism half-lives ONLY
Domain
logical expression index: "al"
Referential
boundary: The
target chemical should be classified as Moderate binder, NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "am"
Referential
boundary: The
target chemical should be classified as Strong binder, NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "an"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -2.08
Domain
logical expression index: "ao"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.17
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation:
In different studies, 2-aminotoluene-4-sulphonic acid 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 2-aminotoluene-4-sulphonic acid and its structurally similar read across substances 6-aminonaphthalene-2-sulphonic acid (CAS No. 93-00-5) and 2-methyl-p-phenylenediamine sulphate (CAS: 615-50-9). The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
The skin irritation potential of methyl(trioctyl)azanium chloride was estimated using OECD QSAR toolbox v3.3 with log Pow as the primary descriptor. methyl(trioctyl)azanium chloride was estimated to be not irritating to the skin of rabbits. Based on the estimated results, methyl(trioctyl)azanium 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 predicted data was further supported by experimental study conducted by Sustainability Support Services (Europe) AB (Report No: SPL/122/095 , Date :10/08/17)
The study reported was designed and conducted to determine the dermal Irritation/corrosion potential of 6-aminonaphthalene-2-sulphonic acid (CAS No. 93-00-5) in Sprague Dawley rats. This study was performed as per OECD guideline No. 402. Ten rats (5 male and 5 female) were used for conducting dermal irritation/ corrosion study.
The animals were kept in their cages for at least 5 days prior to administration for acclimatization to the laboratory condition and after acclimatization period, animals were randomly selected. Approximately 24 hours before application, the hair of each rat was closely clipped from the trunk (dorsal surface and sides from scapular to pelvic area) with an electric clipper, so as to expose at least 10% of the body surface area. The test item was moistened with distilled water. The test item was applied onto the exposed skin of the animal, taking care to spread the test item evenly over the entire area of approximately 10% of the total body surface area or as much of the area as can reasonably be covered. The test item was held in contact with the skin using a porous gauze dressing and non irritating tape around the animal to cover the exposure site for first 24 hours exposure period. Elizabethan collar was placed on each animal for first 24 hours after application of the test item. These collars prevent ingestion of test item. Following 24 hours of exposure, the wrapping was removed and the test site wiped free of excess test item. Distilled water was used to remove residual test item.
The test item 6-aminonaphthalene-2-sulphonic acid (CAS No. 93-00-5) was applied to shorn skin of 5 male and 5 female animals at 2000 mg/kg body weight. Administration of the test item at 2000 mg/kg did not result in any skin reaction at the site of application during the study period of 14 days. Also, the erythema and edema score of rats was calculated as 0. Administration of the test item did not result in any signs of toxicity and mortality during the study period of 14 days. Animals exhibited normal body weight gain through the study period of 14 days. Gross pathological examination did not reveal any abnormalities attributable to the treatment.
Hence, it was concluded that 6-aminonaphthalene-2-sulphonic acid (CAS No. 93-00-5) was Non-Irritating to the skin of Sprague Dawley rats under the experimental conditions tested and Classified as “Category- Unclassified” as per CLP Classification.
The above experimental data was further supported by Hazardous Substances Data Bank (HSDB) for 2,5-DIAMINOTOLUENE SULFATE ,U.S National Library of Medicine 2017 and International Journal of Toxicology 29 ( supplement 2) 2010 for the structurally similar read across substance 2-methyl-p-phenylenediamine sulphate (615-50-9)
2-methyl-p-phenylenediamine sulphate was used as a test material to evaluate skin irritation potential on 10 Hartley albino guinea pigs.
The test material was applied on the flanks of test animal in the concentrations of0.1%, 0.2%, 0.5%, 1%, 2%, 5% and 10% in petrolatum for 48 hrs under occlusion . No skin reaction were observed in any of the test animals in any of the test concentrations. Hence,2-methyl-p-phenylenediamine sulphate was considered as not skin irritant.
Based on the available data for the target and read across substances and applying the weight of evidence approach,2-aminotoluene-4-sulphonic acidcan 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, 2-aminotoluene-4-sulphonic acid 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 2-aminotoluene-4-sulphonic acid and its structurally similar read across substances 2-methylbenzene-1,4-diamine (CAS No. 95-70-5) and 3-Aminotoluene (CAS: 108-44-1) and 4-methyl benzenesulphonic acid (104-15-4). The predicted data using the OECD QSAR toolbox has also been compared with the experimental data.
The ocular irritation potential of methyl(trioctyl)azanium chloride was estimated using OECD QSAR toolbox v3.3 with log Pow as the primary descriptor. methyl(trioctyl)azanium chloride was estimated to be irritating to the eye of rabbits. Based on the estimated results, methyl(trioctyl)azanium chloride can be considered to be irritating to eye and can be classified under the category “ Category 2 (irritating to eyes) based on GHS criteria” as per CLP regulation.
The above predicted data was further supported by experimental study summarized in Hazardous Substances Data Bank (HSDB) for 2-METHYL-1,4-BENZENEDIAMINE U.S National Library of Medicine 2017 for the structurally similar read across substance2-methylbenzene-1,4-diamine (CAS No. 95-70-5)
2,5-Diaminotoluene was used as a test material to evaluate ocular irritation potential on three rabbits. The test material was installed onto the eyes of rabbits in the concentration 0.1 mL of a 2.5% w/v in aqueous sodium sulphite (pH 7.0) for 10 sec. After 10 seconds the eye was rinsed with 50 mL of lukewarm water.eyes were evaluated and scored by Draize scoring system at 1 hr and then at Days 1, 2, 3, 4, and 7.
Mild conjuctival irritation was observed in 2 animals on day 1 and 3 respectively . No data regarding reversibility of the irritation was stated. Under the conditions of this test, toluene-2,5-diamine solution caused slight irritation to rabbit eyes.
The above experimental study was further supported by experimental report summarized in Hazardous substance data bank for 3-Aminotoluene U.S National Library of Medicine 2017 for the structurally similar read across substance3-Aminotoluene (CAS: 108-44-1).
3-Aminotoluene was used as a test material to evaluate eye irritation potential on rabbits.The test materialwhen subjected to rabbit eye in the concentration 24 mg for 24 hrs produced moderate irritating effects. Hence, 3-Aminotoluene was considered to be irritant to rabbit eye.
The above experimental study was further supported by experimental result summarized in Results from an Acute Dermal lrritation /Corrosion Study (OECD 404) in Rats Using Benzenesulfonic acid, 4-methyl US Environmental Protection Agency Office of Pollution Prevention and Toxics (OPPT) 2013 for structurally similar read across substance4-methyl benzenesulphonic acid (104-15-4).
4-methyl benzenesulphonic acid was used as a test material to evaluate eye irritation potential on nine rabbits.The test material of 65% was instilled on the rabbit eye for 5, 10 and 30 seconds 3 animals for each duration. The animals were observed for 14 days post-dosing. The overall irritation score was 83.6 out of a maximum of 110 for the 5 second exposure and 110 out of 110 for the 10 and 30 second exposures. The effects were not fully reversible within 14 days. Hence , 4-methyl benzenesulphonic acid was considered to be corrosive to rabbit eye.
Based on the available data for the target and read across substances and applying the weight of evidence approach,2-aminotoluene-4-sulphonic can be considered to be irritating to eye.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Category 2 (irritating to eyes) based on GHS criteria”.
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,2-aminotoluene-4-sulphonic acidcan 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”.
Whereas , on the basis of available data for the target and read across substances and applying the weight of evidence approach,2-aminotoluene-4-sulphonic can be considered to be irritating to eye.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Category 2 (irritating to eyes) based on GHS criteria”
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