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EC number: 202-658-6 | CAS number: 98-33-9
- 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
The skin sensitization potential of 4-amino-3-methylbenzenesulfonic acid (98-33-9) was estimated using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the six closest read across substances. 4-amino-3-methylbenzenesulfonic acid (98-33-9) was predicted to be sensitizing to the skin of male Dunkin-Hartley guinea pig.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation
- Remarks:
- 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 from QSAR toolbox version 3.3.
- Qualifier:
- according to guideline
- Guideline:
- other: As mentioned below
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Type of study:
- intracutaneous test
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 4-amino-3-methylbenzenesulfonic acid
- Molecular formula :C7H9NO3S
- Molecular weight :187.218 g/mole
- Substance type:Organic
- Physical state:Solid - Species:
- guinea pig
- Strain:
- Dunkin-Hartley
- Sex:
- male
- Details on test animals and environmental conditions:
- No data available.
- Route:
- intradermal
- Vehicle:
- other: acetone:dimethy phthalate (1:9 ratio)
- Concentration / amount:
- 30%
- Day(s)/duration:
- 24 hour
- Route:
- epicutaneous, open
- Vehicle:
- other: acetone:dimethy phthalate (1:9 ratio)
- Concentration / amount:
- 30%
- Day(s)/duration:
- 24 hour
- No. of animals per dose:
- 10 animals.
- Details on study design:
MAIN STUDY
A. INDUCTION EXPOSURE
- No. of exposures:No data available.
- Exposure period: 24 hour
- Test groups: 10
- Control group: No data available.
- Site: No data available.
- Frequency of applications: No data available.
- Duration: 24 hour
- Concentrations: 30%
B. CHALLENGE EXPOSURE
- No. of exposures: No data available.
- Day(s) of challenge: No data available.
- Exposure period: No data available.
- Test groups: 10
- Control group: No data available.
- Site: No data available.
- Concentrations: 30%
- Evaluation (hr after challenge): 24 hour
- Challenge controls:
- No data available.
- Positive control substance(s):
- not specified
- Statistics:
- No data available.
- Reading:
- 1st reading
- Hours after challenge:
- 24
- Group:
- test chemical
- Dose level:
- 30%
- No. with + reactions:
- 10
- Total no. in group:
- 10
- Clinical observations:
- Skin sensitization effect was observed.
- Remarks on result:
- positive indication of skin sensitisation
- Interpretation of results:
- other: Positive
- Conclusions:
- The skin sensitization potential of 4-amino-3-methylbenzenesulfonic acid (98-33-9) was estimated using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the six closest read across substances. 4-amino-3-methylbenzenesulfonic acid (98-33-9) was predicted to be sensitizing to the skin of male Dunkin-Hartley guinea pig.
- Executive summary:
The skin sensitization potential of 4-amino-3-methylbenzenesulfonic acid (98-33-9) was estimated using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the six closest read across substances. 4-amino-3-methylbenzenesulfonic acid (98-33-9) was predicted to be sensitizing to the skin of male Dunkin-Hartley guinea pig.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "S M W N"
Estimation method: Takes highest mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((("a"
or "b" or "c" or "d" or "e" )
and ("f"
and (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and ("j"
and "k" )
)
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 Alkyl arenes AND Aniline AND
Aryl AND Sulfonic acid by Organic Functional groups
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Alkyl arenes AND Aniline AND
Overlapping groups AND Sulfonic acid by Organic Functional groups
(nested)
Domain
logical expression index: "d"
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 Aromatic Carbon [C] AND Hydroxy,
sulfur attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND
Olefinic carbon [=CH- or =C<] AND Suflur {v+4} or {v+6} AND Sulfinic
acid [-S(=O)OH] AND Sulfonate, aromatic attach [-SO2-O] by Organic
functional groups (US EPA)
Domain
logical expression index: "e"
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: "f"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Alkali Earth OR Halogens by
Groups of elements
Domain
logical expression index: "h"
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 Aromatic Carbon [C] AND Hydroxy,
sulfur attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND
Olefinic carbon [=CH- or =C<] AND Suflur {v+4} or {v+6} AND Sulfinic
acid [-S(=O)OH] AND Sulfonate, aromatic attach [-SO2-O] by Organic
functional groups (US EPA)
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Acid, aromatic attach [-COOH] OR
Alcohol, olefinic attach [-OH] OR Amino, aliphatic attach [-N<] OR Azo
[-N=N-] OR Carbonyl, olefinic attach [-C(=O)-] OR Carbonyl, one aromatic
attach [-C(=O)-] OR Diarylketone OR Ester, aliphatic attach [-C(=O)O] OR
Hydroxy, aliphatic attach [-OH] OR Hydroxy, aromatic attach [-OH] OR
Ketone in a ring, olefinic aromatic attach OR Nitro, aromatic attach
[-NO2] OR Oxygen, one aromatic attach [-O-] by Organic functional groups
(US EPA)
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -2.08
Domain
logical expression index: "k"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.08
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (sensitising)
- Additional information:
Skin sensitization
In different studies, 4-amino-3-methylbenzenesulfonic acid (98-33-9) has been investigated for potential for skin sensitization to a greater or lesser extent. The studies are based on in vivo experiments in guinea pig and human for target chemical 4-amino-3-methylbenzenesulfonic acid and its structurally similar read across substances Sulfanilic acid (CAS No: 121573). The predicted data using the OECD QSAR toolbox has also been compared with the experimental data of read across substance.
The skin sensitization potential of 4-amino-3-methylbenzenesulfonic acid (98-33-9) was estimated using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the six closest read across substances. 4-amino-3-methylbenzenesulfonic acid (98-33-9) was predicted to be sensitizing to the skin of male Dunkin-Hartley guinea pig.
Based on the QSAR prediction done using the Danish (Q) SAR Database, the skin sensitization was estimated to be positive on guinea pig and human for4-amino-3-methylbenzenesulfonic acid. Thus it can be concluded that the substance 4-amino-3-methylbenzenesulfonic acid (98-33-9) has positive skin sensitization effects and based on the CLP criteria for classification it can be classified as “sensitizing” to skin sensitization effects.
It is further supported by the experimental data conducted byIFA (GESTIS) (GESTIS Substance Database, 2016 )on structurally similar read across substance Sulfanilic acid (CAS No: 121573).The read across substances share high similarity in structure and log kow .Therefore, it is acceptable to derive information on skin sensitization from the analogue substance. The skin sensitization test was conducted on guinea pigs by guinea pig maximization test for Sulfanilic acid (CAS No: 121573).Since skin sensitizing effects were observed for the test chemical in guinea pig. Therefore Sulfanilic acid (CAS No: 121573) was considered to be sensitizing to guinea pigs.
Thus based on the above predictions on 4-amino-3-methylbenzenesulfonic acid (98-33-9) as well as its read across substances and applying weight of evidence, it can be concluded that 4-amino-3-methylbenzenesulfonic acid (98-33-9) is not a skin sensitizer. Thus comparing the above annotations with the criteria of CLP regulation, 4-amino-3-methylbenzenesulfonic acid (98-33-9) can be classified as ‘skin sensitizer’.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Thus comparing the above annotations with the criteria of CLP regulation, 4-amino-3-methylbenzenesulfonic acid (98-33-9) can be classified as ‘skin sensitizer’.
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