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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.

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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:
OECD Guideline 473 (In Vitro Mammalian Chromosome Aberration Test)
Deviations:
no
GLP compliance:
yes (incl. certificate)
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

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

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:
read-across source
Qualifier:
equivalent or similar to
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:
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

Precipitation concentration 10,000 micrograms per liter

Conclusions:
Benzenesulphonic acid is not cytotoxic or mutagenic in the Ames bacterial reverse mutation assay
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.