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EC number: 218-076-0 | CAS number: 2049-95-8
- 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
- Mutagenicity: negative in Bacteria (OECD 471, GLP, Reliability.1)
- Clastogenicity / Aneugenicity: negative (OECD 473 , GLP, Reliability.1)
Link to relevant study records
- Endpoint:
- in vitro cytogenicity / chromosome aberration study in mammalian cells
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- No data
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 473 (In Vitro Mammalian Chromosome Aberration Test)
- Deviations:
- no
- Principles of method if other than guideline:
- Not applicable
- GLP compliance:
- yes
- Type of assay:
- other: In vitro mammalian chromosome aberration test.
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: no data
- Expiration date of the lot/batch: no data
- Purity: 99.5%
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Sealed in a cool, dark place (Measured temperature range: 1°C-8°C)
- Stability under test conditions: stability during experiments was confirmed.
- Solubility and stability of the test substance in the solvent/vehicle: Insoluble in water. Easily soluble in ethanol, ether.
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium: no data - Target gene:
- Not applicable.
- Species / strain / cell type:
- other: Chinese hamster lungs (CHL/IU)
- Details on mammalian cell type (if applicable):
- - Type and identity of media: Eagle MEM culture medium
- Properly maintained: yes
- Periodically checked for Mycoplasma contamination: yes - Additional strain / cell type characteristics:
- not applicable
- Metabolic activation:
- with and without
- Metabolic activation system:
- S9 mix was prepared from the liver homogenate of rat that was enzyme induced by intraperitoneal administration of phenobarbital and 5,6-benzoflavone.
- Test concentrations with justification for top dose:
- - Preliminary test: 5.86, 11.7, 23.4, 46.9, 93.8, 188, 375, 750 and 1500 µg/mL with and without metabolic activation.
- Chromosomal aberration test: 13.1, 16.4, 20.5, 25.6, 32, 40 and 50 µg/mL without metabolic activation (experiment 1 and 2)
- Chromosomal aberration test: 26.2, 32.8, 41, 52.1, 64, 80 and 100 µg/mL with metabolic activation (experiment 1) - Vehicle / solvent:
- - Vehicle(s)/solvent(s) used: dimethylsulfoxide (Lot No. SL045, Dojindo Laboratories).
- Justification for choice of solvent/vehicle: no data - Untreated negative controls:
- yes
- Remarks:
- Vehicle
- Negative solvent / vehicle controls:
- yes
- Remarks:
- DMSO
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- benzo(a)pyrene
- mitomycin C
- Remarks:
- With and without S9 mix.
- Details on test system and experimental conditions:
- METHOD OF APPLICATION: in medium
DURATION
- Preincubation period: no
- Exposure duration:
- Experiment 1: 6 hours with and without S9
- Experiment 2: 20 hours without S9
- Fixation time (start of exposure up to fixation or harvest of cells): 18 hours (experiment 1 with and without S9 mix)/24 hours (experiment 2 without S9 mix)
SELECTION AGENT (mutation assays): Not applicable
SPINDLE INHIBITOR (cytogenetic assays): colcemid (Lot No. 1335046, GIBCO) (Two hours before).
NUMBER OF REPLICATIONS: two
NUMBER OF CELLS EVALUATED: Analysis of 200 metaphases / dose level was made
DETERMINATION OF CYTOTOXICITY
- Method: mitotic index
OTHER EXAMINATIONS:
- Determination of polyploidy: yes
- Determination of endoreplication: yes - Evaluation criteria:
- A positive result was based on an increase in frequency (%) of total structural aberrations or total numerical aberrations of 10% or higher with this frequency being dose-dependent, or an increase in frequency of 5% or higher when this increase was reproducible by a confirmation test. All other findings gave a negative result.
- Statistics:
- No statistical methods were used in evaluation.
- Key result
- Species / strain:
- other: Chinese hamster lungs (CHL/IU)
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Remarks:
- with and without metabolic activation.
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Remarks:
- 50% or greater cell growth inhibition was observed at doses of 40.0 μg/mL (Experiment 1 without S9), 80.0 μg/mL and above (experiment 1 with metabolic activation), and 32.0 μg/mL and above (experiment 2 without S9 mix).
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Additional information on results:
- TEST-SPECIFIC CONFOUNDING FACTORS
- Effects of pH: measurements on post-treatment media without and with S-9 mix indicated that
treatment with the test substance had no effect on pH.
- Effects of osmolality: no data
- Evaporation from medium: no data
- Water solubility: the test substace is insoluble.
- Precipitation:
At the start of test solution treatment precipitation of the test article was observed in each test system at a dose of 188 μg/mL and above or 375 μg/mL, and at the completion of test solution treatment test article precipitation was observed at a dose of 1,500 μg/mL in the short-term treatment method both without metabolic activation and with metabolic activation.
RANGE-FINDING/SCREENING STUDIES:
A preliminary test (cell growth inhibition test: 5.86-1,500 μg/mL) revealed cell growth inhibition occurred in each test system. IC50 values were 35.1 μg/mL with the short-term treatment method without metabolic activation (6 hours of treatment), 67.9 μg/mL with the short-term treatment method with metabolic activation (6 hours of treatment), and 32.7 μg/mL with the continuous treatment method with 24-0 hour treatment without metabolic activation.
HISTORICAL CONTROL DATA (with ranges, means and standard deviation and confidence interval (e.g. 95%)
Solvent and positive controls are in the range of historical control data. - Conclusions:
- Under the test conditions of this study, tert-pentylbenzene did not induce a significant level of chromosome aberrations with or without metabolic activation. Therefore, tert-pentylbenzene is not considered as clastogenic.
- Executive summary:
In an in vitro chromosome aberration test, performed according to OECD guideline N° 473 and in compliance with GLP, Chinese hamster Lungs (CHL/IU) cells were treated with tert-pentylbenzene dissolved in DMSO in two independents experiments, both with and or without a liver metabolizing system (S9-mix), obtained from rats previously treated with phenobarbital and 5,6-benzoflavone.
A preliminary test (cell growth inhibition test: 5.86-1,500 μg/mL) revealed cell growth inhibition occurred in each test system. IC50values were 35.1 μg/mL with the short-term treatment method (6 hours) without metabolic activation, 67.9 μg/mL with the short-term (6 hours) treatment method with metabolic activation, and 32.7 μg/mL with the continuous treatment method with 24-0 hour treatment without metabolic activation. At the start of test solution treatment precipitation of the test article was observed in each test system at a dose of 188 μg/mL and above or 375 μg/mL, and at the completion of test solution treatment test article precipitation was observed at a dose of 1,500 μg/mL in the short-term treatment method both without metabolic activation and with metabolic activation. No test article effect on culture medium pH was observed.
Based on the results of the preliminary test, the present test (chromosomal aberration test) was performed with a maximum dose above the IC50 for each test system. In experiment 1, treatment was continuous for 6 hours at 13.1, 16.4, 20.5, 25.6, 32, 40 and 50 µg/mL in the absence of S-9 and at 26.2, 32.8, 41, 52.1, 64, 80 and 100 µg/mL with metabolic activation. In experiment 2,
treatment was continuous for 24 hours at 13.1, 16.4, 20.5, 25.6, 32, 40 and 50 µg/mL in the absence of S-9.
The incidence of structural chromosomal aberrations and numerical chromosomal aberrations observed in the present test was below 5% with the short-term treatment method without metabolic activation (evaluated doses: 20.5, 25.6, and 32.0 μg/mL), the short-term treatment method with metabolic activation (41.0, 51.2, 64.0, and 80.0 μg/mL), and the continuous treatment method with 24-0 hour treatment (16.4, 20.5, 25.6, and 32.0 μg/mL).The incidence of structural chromosomal aberrations in the positive control group was a clearly positive result for all test systems, which confirmed that these test systems are appropriately sensitive.
Under the test conditions of this study, tert-pentylbenzene did not induce a significant level of chromosome aberrations with or without metabolic activation. Therefore, tert-pentylbenzene is not considered as clastogenic.
- Endpoint:
- in vitro gene mutation study in bacteria
- Remarks:
- Type of genotoxicity: gene mutation
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP study done according to guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method B.13/14 (Mutagenicity - Reverse Mutation Test Using Bacteria)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of assay:
- bacterial reverse mutation assay
- Target gene:
- histidine mutation gene (Salmonella typhimurium)
tryptophan mutation gene (Escherichia coli) - 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:
- S9
- Test concentrations with justification for top dose:
- Dose range finding test
Strains TA100 and WP2uvrA
3, 10, 33, 100, 333, 1000, 3330 and 5000 µg/plate in the absence and presence of S9-mix
Experiment 1
Strains TA1535, TA1537 and TA98:
3, 10, 33, 100, 333 and 1000 µg/plate in the absence and presence of 5% (v/v) S9-mix
Experiment 2
Strains TA1535, TA1537, TA98, TA100 and WP2uvrA
Without S9-mix: 3, 10, 33, 100, 333 and 1000 µg/plate
With 10% (v/v) S9-mix: 10, 33, 100, 333 and 1000 µg/plate - Vehicle / solvent:
- dimethyl sulfoxide
- Negative solvent / vehicle controls:
- yes
- Positive controls:
- yes
- Positive control substance:
- sodium azide
- Remarks:
- Not only sodium azide but also 9-aminoacridine, 2-nitrofluorene, methylmethanesulfonate and 4-nitroquinoline N-oxide were used as positive controls without metabolic activation. 2-Aminoanthracene was used as positive control with metabolic activation.
- Evaluation criteria:
- No formal hypothesis testing was done. A test substances was considered negative (not mutagenic) in the test if:
a) The total number of revertants in tester strain TA100 is not greater than 2 times the concurrent control, and the total number of revertants in tester strains TA1535, TA1537, TA98 or WP2uvrA is not greater than 3 times the concurrent control.
b) The negative response should be reproducible in at least one independently repeated experiment. - Key result
- Species / strain:
- S. typhimurium TA 1535, TA 1537, TA 98 and TA 100
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- other: Cytotoxicity was only found at concentrations of 100 µg/plate and higher
- Vehicle controls validity:
- valid
- Positive controls validity:
- valid
- Key result
- Species / strain:
- E. coli WP2 uvr A
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity
- Vehicle controls validity:
- valid
- Positive controls validity:
- valid
- Additional information on results:
- Dose range finding test
Precipitation of tertiary-amylbenzene on the plates was observed at the start and at the end of the incubation period at concentrations of 1000 µg/plate and above. In the dose range finding test, no increase in the number of revertants was observed upon treatment with tertiary-amylbenzene under all conditions tested.
Experiment 1
Precipitation of tertiary-amylbenzene on the plates was observed at the start and at the end of the incubation period at the concentration of 1000 µg/plate. No increase in the number of revertants was observed upon treatment with tertiary-amylbenzene under all conditions tested.
Experiment 2
Precipitation of tertiary-amylbenzene on the plates was observed at the start and at the end of the incubation period at the concentration of 1000 µg/plate. No increase in the number of revertants was observed upon treatment with tertiary-amylbenzene under all conditions tested. - Remarks on result:
- other: all strains/cell types tested
- Remarks:
- Migrated from field 'Test system'.
- Conclusions:
- Under the test conditions of this study, tertiary-amylbenzene is not mutagenic in the Salmonella typhimurium and in the Escherichia coli.
- Executive summary:
In a reverse gene mutation assay in bacteria, performed according to the EU Method B.13/14, tertiary-amylbenzene (Purity: 97.4%) diluted in Dimethyl sulphoxide (DMSO) was tested in S. typhimurium TA1535, TA1537, TA100 and TA98 and in E. coli WP2 uvr A in the presence and the
absence of mammalian metabolic activation (S9) using the preincubation method.
Based on the results of the dose range finding test, Tertiary-amylbenzene was tested in the first mutation assay at a concentration range of 3 to 1000µg/plate in the absence and presence of S9 in TA1535, TA1537 and TA98. Toxicity was observed in all tester strains. In an independent repeat of the assay with additional parameters, Tertiary-amylbenzene was tested at a concentration range of 3 to 1000µg/plate in the absence of S9-mix and at 10 to 1000µg/plate in the presence of S9 mix in TA1535, TA1537, TA98, TA100 and E. coli WP2 uvr A. Toxicity was observed in all tester strains, except in E. coli WP2 uvr A in the absence and presence of metabolic activation.
Tertiary-amylbenzene did not induce a significant dose-related increase in the number of revertant (His+) colonies in each of the four tester strains and in the number of revertant (Trp+) colonies in tester strain WP2 uvr A both in the absence and presence of metabolic activation. These results were confirmed in an independently repeated experiment.
The negative and strain-specific positive control values were within the laboratory historical control data ranges indicating that the test conditions were adequate and that the metabolic activation system functioned properly.
Under the test conditions of this study, tertiary-amylbenzene is not mutagenic in the Salmonella typhimurium and in the Escherichia coli.
Referenceopen allclose all
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Genetic toxicity in vivo
Description of key information
1- Mutagenicity in Bacteria: two studies are available. One study was selected as the key study (Notox, 2007). This study was performed according to OECD 471 and in compliance with GLP. Under the test conditions of this study, tertiary-amylbenzene is not mutagenic in the Salmonella typhimurium and in the Escherichia coli. These results are supported by the results of the supporting study (OECD 471, GLP, Reliability.1).
2- Clastogenicity / Aneugenicity: one study was available and considered as the key study (OECD 473, GLP, Reliability.1). In this study, Chinese hamster Lungs (CHL/IU) cells were treated with tert-pentylbenzene dissolved in DMSO in two independents experiments, both with and or without a liver metabolizing system (S9-mix).
Based on the results of the preliminary test, the present test (chromosomal aberration test) was performed in two experiments. In experiment 1, treatment was continuous for 6 hours at 13.1, 16.4, 20.5, 25.6, 32, 40 and 50 µg/mL in the absence of S-9 and at 26.2, 32.8, 41, 52.1, 64, 80 and 100 µg/mL with metabolic activation. In experiment 2,
treatment was continuous for 24 hours at 13.1, 16.4, 20.5, 25.6, 32, 40 and 50 µg/mL in the absence of S-9.
The incidence of structural chromosomal aberrations and numerical chromosomal aberrations observed in the present test was below 5% with the short-term treatment method without metabolic activation (evaluated doses: 20.5, 25.6, and 32.0 μg/mL), the short-term treatment method with metabolic activation (41.0, 51.2, 64.0, and 80.0 μg/mL), and the continuous treatment method with 24-0 hour treatment (16.4, 20.5, 25.6, and 32.0 μg/mL). Under the test conditions of this study, tert-pentylbenzene did not induce a significant level of chromosome aberrations with or without metabolic activation. Therefore, tert-pentylbenzene is not considered as clastogenic.
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Justification for classification or non-classification
Harmonized classification:
No harmonized classification is available according to the Regulation (EC) No 1272/2008.
Self-classification:
The available data (OECD 471, OECD 743) are not sufficient to conlcude on the classification of Tertiary-amylbenzene according to EU criteria.
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