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EC number: 205-324-8 | CAS number: 138-32-9
- 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
Key value for chemical safety assessment
Genetic toxicity in vitro
Description of key information
The read-across source, Benzenesulphonic acid is not cytotoxic or mutagenic in the Ames bacterial reverse mutation assay.
oluene-4 -sulphonic acid does not induce chromosome mutations (aberrations) in V79 Chinese Hamster cells. The substance is neither mutagenic nor cytotoxic under the conditions of the study.
Link to relevant study records
- Endpoint:
- in vitro cytogenicity / chromosome aberration study in mammalian cells
- Remarks:
- Type of genotoxicity: chromosome aberratio
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- October 10-12, 1988
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP guideline study with full documentation
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 473 (In Vitro Mammalian Chromosome Aberration Test)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of assay:
- in vitro mammalian chromosome aberration test
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): p-toluolsulfonsaure
- Molecular formula (if other than submission substance): C7H8O3S
- Molecular weight (if other than submission substance): 190.2
- Substance type: organic
- Physical state:crystallin powder
- Analytical purity: >98%
- Impurities (identity and concentrations): no data
- Purity test date: no data
- Lot/batch No.: GPAD 185
- Expiration date of the lot/batch: no data
- Stability under test conditions: no data
- Storage condition of test material: in the dark at 20C - Species / strain / cell type:
- Chinese hamster lung fibroblasts (V79)
- Metabolic activation:
- with and without
- Metabolic activation system:
- rat liver S9 fraction following Aroclor 1254 exposure
- Test concentrations with justification for top dose:
- 200, 600, 1902 micrograms per milliliter
- Untreated negative controls:
- yes
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- other: Ethylmethanesulfonate without S9 and cyclophosphamide with S9
- Remarks:
- solvent was xylene
- Key result
- Species / strain:
- Chinese hamster lung fibroblasts (V79)
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity nor precipitates, but tested up to recommended limit concentrations
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- other: all strains/cell types tested
- Conclusions:
- Interpretation of results: negative
The test substance does not induce chromosome mutations (aberrations) in V79 Chinese Hamster cells. The substance is neither mutagenic nor cytotoxic under the conditions of the study. - Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- 1988
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- For p-toluenesulphonic acid (CASRN 104-15-4), the closely related substance benzenesulphonic acid (CASRN 98-11-3) can be used as a surrogate in view of the chemical similarity between the two compounds.
The extra methyl group para to the sulphonic acid group in p-toluenesulphonic acid has a weakly activating effect on the benzene ring, which makes it slightly more prone to electrophilic aromatic substitution.
Acidity of the sulphonic acid group is influenced by two factors:
1. The methyl group exerts an electron donating effect, which makes the negative charge on the resulting sulphonate ion after deprotonation slightly less stable.
2. The resonance effect still stabilises the negative charge on the sulphonate ion by dividing the charge on the oxygen atoms.
As a result, the acidity of the sulphonic acid group is not expected to change significantly compared to benzenesulphonic acid. Calculation of the pKa confirms this expectation: -2.8 for benzenesulphonic acid and –2.58 for p-toluenesulphonic acid.
Thus the reactivity of benzenesulphonic acid and p-toluenesulphonic acid is very similar and ptoluenesulphonic acid can be used as a surrogate.
See the attached HPV assessmnet report providing the read-across rational baed on structural and effect-based similarities. - Reason / purpose for cross-reference:
- read-across source
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Deviations:
- not specified
- Specific details on test material used for the study:
- benzenesulphonic acid
- Key result
- Species / strain:
- S. typhimurium, other: TA97, TA98, TA100, TA 1535
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity, but tested up to precipitating concentrations
- Vehicle controls validity:
- not applicable
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Conclusions:
- Based on read-across from the structurally similar Benzenesulphonic acid, p-toluenesulphonic acid is not cytotoxic or mutagenic in the Ames bacterial reverse mutation assay
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1988
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- Collection of bacetrial mutagenicity test results
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Deviations:
- not specified
- Principles of method if other than guideline:
- Six test substance concentrations; with and without metabolic activation; positive and negative controls; 3 replicates; application using preincubation assay with a 20 minute timeframe.
- GLP compliance:
- not specified
- Type of assay:
- bacterial reverse mutation assay
- Target gene:
- Histidine independent mutant colonies of Salmonella typhimurium
- Species / strain / cell type:
- S. typhimurium, other: TA97, TA98, TA100, TA1535
- Additional strain / cell type characteristics:
- other: histidine deficient
- Metabolic activation:
- with and without
- Metabolic activation system:
- Aroclor 1254-induced S9 from rat and hanster
- Test concentrations with justification for top dose:
- 100, 333, 1000, 3333, 6667 (without activation) and 10000 (with activation) micrograms per plate
- Untreated negative controls:
- yes
- Negative solvent / vehicle controls:
- no
- True negative controls:
- yes
- Positive controls:
- yes
- Positive control substance:
- other: 2-aminoanthracene; 4-nitro-o-phenylenediamine; sodium azide, 9-aminoacridine
- Remarks:
- DMSO as true negative control
- Key result
- Species / strain:
- S. typhimurium, other: TA97, TA98, TA100, TA 1535
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity, but tested up to precipitating concentrations
- Vehicle controls validity:
- not applicable
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- other: all strains/cell types tested
- Conclusions:
- Benzenesulphonic acid is not cytotoxic or mutagenic in the Ames bacterial reverse mutation assay
Referenceopen allclose all
Mitotic Index: Concentration related plating efficiency was established in 1000 cells from each of two slides per test group. No influence on mitotic index was observed.
The precipitation concentration was > 1902 ug/mL
Precipitation concentration 10,000 micrograms per liter
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Genetic toxicity in vivo
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Additional information
Justification for classification or non-classification
Toluene-4 -sulphonic acid was found to be non-mutagenic.
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