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EC number: 254-911-5 | CAS number: 40412-06-4
- 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
Genetic toxicity: in vitro
Administrative data
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 13 November 2017 - 22 November 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Version / remarks:
- 21 July 1997
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method B.13/14 (Mutagenicity - Reverse Mutation Test Using Bacteria)
- Version / remarks:
- 31 May 2008
- Deviations:
- no
- GLP compliance:
- yes
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- 2-(2-thienyl)ethyl toluene-p-sulphonate
- EC Number:
- 254-911-5
- EC Name:
- 2-(2-thienyl)ethyl toluene-p-sulphonate
- Cas Number:
- 40412-06-4
- Molecular formula:
- C13H14O3S2
- IUPAC Name:
- 2-(thiophen-2-yl)ethyl 4-methylbenzene-1-sulfonate
- Test material form:
- solid: particulate/powder
- Details on test material:
- - Physical appearance: white to off-white powder
- Test item storage: at room temperature
Constituent 1
Method
- Target gene:
- - S. typhimurium: Histidine gene
- E. coli: Tryptophan gene
Species / strainopen allclose all
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98 and TA 100
- Species / strain / cell type:
- E. coli WP2 uvr A
- Metabolic activation:
- with and without
- Metabolic activation system:
- Rat liver S9-mix induced by Aroclor 1254 (500 mg/kg body weight)
- Test concentrations with justification for top dose:
- Dose-range finding (TA100 and WP2 uvrA, with and without S9): 1.7, 5.4, 17, 52, 164, 512, 1600 and 5000 µg/plate (reported as part of the mutation experiment)
Mutation experiment (TA1535, TA1537 and TA98, with and without S9): 17, 52, 164, 512, 1600 and 5000 μg/plate
- Test item concentrations were used within 2.5 hours after preparation. - Vehicle / solvent:
- - Solvent used: DMSO
- Justification for choice of solvent: the test item dissolved in DMSO, which is a solvent recommended by international guidelines.
Controls
- Untreated negative controls:
- no
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- 4-nitroquinoline-N-oxide
- 2-nitrofluorene
- sodium azide
- methylmethanesulfonate
- other: ICR-191; 2-aminoanthracene
- Remarks:
- For more details on positive controls see 'any other information on materials and methods'
- Details on test system and experimental conditions:
- METHOD OF APPLICATION: in agar (plate incorporation)
DURATION
- Preincubation period: no
- Exposure duration: 48 ± 4 h (in the dark at 37.0 ± 1.0 °C)
NUMBER OF REPLICATIONS:
- Doses of the test substance were tested in triplicate in each strain.
METHODS OF SLIDE PREPARATION: Top agar in top agar tubes was melted by heating to 45 ± 2°C. Fresh bacterial culture, dilution of the test item in DMSO and either S9-mix or 0.1 M phosphate buffer were added to the molten top agar. The ingredients were mixed on a vortex and the content of the top agar tube was poured onto a selective agar plate.
DETERMINATION OF CYTOTOXICITY
- Method: the reduction of the bacterial background lawn, the increase in the size of the microcolonies and the reduction of the revertant colonies.
OTHER EXAMINATIONS:
- The presence of precipitation of the test compound on the plates was determined. - Evaluation criteria:
- DECISION CRITERIA:
A test item is considered negative (not mutagenic) in the test if:
a) The total number of revertants in the tester strain TA100 or WP2uvrA is not greater than two times the concurrent vehicle control, and the total number of revertants in tester strains TA1535, TA1537 or TA98 is not greater than three times the concurrent vehicle control.
b) The negative response should be reproducible in at least one follow-up experiment.
A test item is considered positive (mutagenic) in the test if:
a) The total number of revertants in the tester strain TA100 or WP2uvrA is greater than two times the concurrent vehicle control, or the total number of revertants in tester strains TA1535, TA1537, TA98 is greater than three times the concurrent vehicle control.
b) In case a follow up experiment is performed when a positive response is observed in one of the tester strains, the positive response should be reproducible in at least one follow up experiment.
In addition to the criteria stated above, any increase in the total number of revertants should be evaluated for its biological relevance including a comparison of the results with the historical control data range.
ACCEPTABILITY CRITERIA:
a) The vehicle control and positive control plates from each tester strain (with or without S9-mix) must exhibit a characteristic number of revertant colonies when compared against relevant historical control data generated at the test facility.
b) The selected dose-range should include a clearly toxic concentration or should exhibit limited solubility as demonstrated by the preliminary toxicity range-finding test or should extend to 5 mg/plate.
c) No more than 5% of the plates are lost through contamination or some other unforeseen event. If the results are considered invalid due to contamination, the experiment will be repeated.
Results and discussion
Test resultsopen allclose all
- Key result
- Species / strain:
- S. typhimurium TA 1535
- Metabolic activation:
- with and without
- Genotoxicity:
- positive
- Remarks:
- up to a 74-fold and 249-fold increase at 1600 µg/plate in the absence and presence of S9, respectively.
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Key result
- Species / strain:
- S. typhimurium TA 100
- Metabolic activation:
- with and without
- Genotoxicity:
- positive
- Remarks:
- up to 13-fold increase in the absence of S9-mix at 512 µg/plate and up to 14-fold in the presence of S9-mix at 1600 µg/plate
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Key result
- Species / strain:
- S. typhimurium TA 98
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Remarks:
- Conclusion based on a single experiment.
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Remarks:
- at and above 512 µg/plate in the absence of S9-mix and at 5000 µg/plate in the presence of S9-mix
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Key result
- Species / strain:
- S. typhimurium TA 1537
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Remarks:
- Conclusion based on a single experiment.
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Key result
- Species / strain:
- E. coli WP2 uvr A
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Remarks:
- Conclusion based on a single experiment.
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Additional information on results:
- In compliance with the OECD guideline No 471, there is no requirement for verification of a clear positive response. Since the test results of the mutation experiment showed clear positive responses, the follow-up experiment was not performed.
DOSE-RANGE FINDING:
- Precipitation: at concentrations of 512 µg/plate and upwards at the start of the incubation period and at concentrations of 1600 µg/plate and upwards (TA100) and 5000 µg/plate (WP2 uvrA) at the end of the incubation period.
- Cytotoxicity: no decrease in the number of revertants was observed in any of the tester strains, with and without S9.
- Mutagenicity: In tester strain TA100, the test item induced up to 13-fold (absence of S9-mix, at 512 µg/plate) and 14-fold (presence of S9-mix, at 1600 µg/plate) increases in the number of revertant colonies compared to the solvent control. The increase in number of revertant colonies was dose-dependent.
MUTATION EXPERIMENT:
- Precipitation: at concentrations of 1600 µg/plate and 5000 µg/plate at the start of the incubation period and at the concentrations of 5000 µg/plate at the end of the incubation period, in all tester strains with and without S9.
- Cytotoxicity: in tester strain TA98 at and above a concentration of 512 µg/plate in the absence of S9-mix and at a concentration of 5000 µg/plate in the presence of S9-mix. No cytotoxicity was observed in the other tester strains, with and without S9.
- Mutagenicitiy: In tester strain TA1535, the test item induced up to 74-fold and 249-fold increases in the number of revertant colonies compared to the solvent control in the absence and presence of S9-mix, respectively. The increase in number of revertant colonies was dose-dependent. - Remarks on result:
- other: Based on a clear positive result in a single experiment, further testing was omitted.
Any other information on results incl. tables
Table 2 Historical data on solvent controls
|
TA1535 |
TA1537 |
TA98 |
TA100 |
WP2uvrA |
|||||
S9-mix |
- |
+ |
- |
+ |
- |
+ |
- |
+ |
- |
+ |
Range |
3 – 29 |
3 - 27 |
3 – 20 |
3 – 23 |
8 - 41 |
8 - 55 |
63 – 176 |
54 - 160 |
10 – 59 |
9 - 69 |
Mean |
10 |
11 |
6 |
7 |
16 |
23 |
108 |
107 |
25 |
32 |
SD |
3 |
4 |
2 |
3 |
5 |
7 |
19 |
20 |
7 |
8 |
n |
2356 |
2336 |
2264 |
2235 |
2319 |
2360 |
2341 |
2336 |
2075 |
2078 |
Table 3 Historical data on positive controls
|
TA1535 |
TA1537 |
TA98 |
|||
S9-mix |
- |
+ |
- |
+ |
- |
+ |
Range |
125 – 1248 |
73 – 1206 |
55 – 1353 |
54 – 1051 |
365 – 1995 |
250 – 1977 |
Mean |
846 |
219 |
787 |
353 |
1406 |
887 |
SD |
146 |
119 |
345 |
162 |
258 |
349 |
n |
2348 |
2229 |
2003 |
2234 |
2200 |
2276 |
|
TA100 |
WP2uvrA |
||
S9-mix |
- |
+ |
- |
+ |
Range |
439 – 1848 |
408 - 2651 |
93 – 1951 |
111 - 1359 |
Mean |
901 |
1232 |
1094 |
437 |
SD |
168 |
343 |
477 |
149 |
n |
2335 |
2327 |
2021 |
2085 |
SD = Standard deviation
n = Number of observations
Historical control data from experiments performed between Oct 2015 and Oct 2017.
Applicant's summary and conclusion
- Conclusions:
- In an AMES test, performed according to OECD guideline 471 and GLP principles, 2-(2-thienyl)ethyl 4-toluenesulfonate (TPT) was found to be mutagenic in the tester strains TA100 and TA1535 in the Salmonella typhimurium reverse mutation assay, with and without metabolic activation.
- Executive summary:
The mutagenic potential of 2-(2-thienyl)ethyl 4-toluenesulfonate (TPT) and/or its metabolites was assessed in an Ames test, performed according to OECD guideline 471 and GLP principles. The test item was tested in several strains of Salmonella typhimurium (TA98, TA100, TA1535 and TA1537) and in one strain of Escherichia coli (WP2uvrA) in the absence and in the presence of a metabolic activation system (S9-mix). Concentrations up to and including 5000 µg/plate were used in a dose-range finding test (tester strains TA100 and WP2uvrA) and a mutation assay (tester strains TA1535, TA1537 and TA98), in absence and presence of S9 -mix.
The test item precipitated on the plates at the top dose of 5000 μg/plate. Cytotoxicity, as evidenced by a decrease in the number of revertants, was only observed in tester strain TA98 in the absence of S9 -mix. In tester strain TA100, the test item induced up to 13-fold and 14-fold increases in the number of revertant colonies compared to the solvent control in the absence and presence of S9-mix, respectively. In tester strain TA1535, the test item induced up to 74-fold and 249-fold increases in the number of revertant colonies compared to the solvent control in the absence and presence of S9-mix, respectively. For both strains the observed increase in the number of revertant colonies compared to the relevant solvent controls was dose-dependent. Since the test results of the mutation experiment showed clear positive responses, a follow-up experiment was not performed. The results of the solvent control and the positive controls were within the historical range of the test facility.
In conclusion, 2-(2-thienyl)ethyl 4-toluenesulfonate (TPT) is mutagenic in the tester strains TA100 and TA1535 in the Salmonella typhimurium reverse mutation assay, with and without metabolic activation.
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