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EC number: 229-782-3 | CAS number: 6731-36-8
- 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
Genetic toxicity: in vitro
Administrative data
- Endpoint:
- in vitro gene mutation study in bacteria
- Remarks:
- Type of genotoxicity: gene mutation
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 24-72 hrs
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- Well documented study according to OECD 471 and OECD & French Government GLP. Study report includes, QA & GLP statement and C of A for test article. Study report does not include analytical verification of test substance concentration or stability in study media.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 995
- Report date:
- 1995
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- GLP compliance:
- yes (incl. QA statement)
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- 6731-36-8 (97.4%)
- IUPAC Name:
- 6731-36-8 (97.4%)
- Reference substance name:
- Di-tert-butyl 3,3,5-trimethylcyclohexylidene diperoxide
- EC Number:
- 229-782-3
- EC Name:
- Di-tert-butyl 3,3,5-trimethylcyclohexylidene diperoxide
- Cas Number:
- 6731-36-8
- Molecular formula:
- C17H34O4
- IUPAC Name:
- 1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane
- Details on test material:
- The test substance LUPEROX 231 (1, I-DI-(tert-BUTYLPEROXY)-3,3,5-TRIMETHYLCYCLOHEXANE) used in the study was supplied by Elf Atochem Deutschland.
Documentation supplied by the Sponsor identified the test substance as follows:
-name: LUPEROX 231 (1,I-DI-(tert-BUTYLPEROXY)-3,3,5-TRIMETHYLCYCLOHEXANE)
- labelling: LUPEROX 231
-batch number: 530-9502-102
-labelling: 530-9502-102
-description: yellowish to colourless liquid
-quantity and container: 2 plastic flasks each containing 0.1 kg
-date of receipt: 18.5.95
-storage conditions: at room temperature and protected from light
-purity: 97.4%.
Data relating to the characterization of the test substance are documented in a test article description and results of analysis.
Constituent 1
Constituent 2
Method
- Target gene:
- The five strains (Ames et aI., 1975; Maron and Ames, 1983): TA 1535, TA 1537, TA 98, TA 100 and TA 102, are supplied by B.N. Ames' Laboratory (University of California, Berkeley, U.S.A.). They are stored in a cryoprotective medium containing 1 ml nutrient broth and 0.09 ml dimethylsulfoxide in a liquid nitrogen container.
Each strain derived from Salmonella typhimurium LT 2 contains one mutation in the histidine operon, resulting in a requirement for histidine. In addition, to increase their sensitivity to mutagenic substances, additional mutations have been added:
-the rfa mutation causes partial loss of the lipopolysaccharide barrier that coats the surface of the bacteria and increases permeability to
large molecules that do not penetrate the normal bacteria cell wall,
-the uvr B mutation is a deletion of a gene code for the DNA excision repair system, which renders the bacteria unable to use this repair
mechanism to remove the damaged DNA,
-the addition of the pKM 10 1 ampicillin resistant plasmidic R -factor in the strains T A 98, TAI00 and TAl 02 enhances their detection
sensitivity to some mutagens.
-in addition, the pAQl tetracycline resistant plasmidic factor has been added to the TAI02 strain.
Genotype of the bacterial strains
Strains Histidine mutation Additional mutations
TA 1535 His G46 rfa uvrB
TA 100 His G46 rfa uvrB Factor R
TA 102 His G 428 (pAQl) rfa Factor R
TA 1537 His C 3076 rfa uvrB
TA 98 His D 3052 rfa uvrB Factor R
The T A 1535, TAl 00 and TAl 02 strains are reverted by base-pair substitution mutagens and the T A 1537 and T A 98 strains by frameshift
mutagens. In addition, the TAl 02 strain detects oxidative mutagens.
Species / strain
- Species / strain / cell type:
- other: TA1535, TA100, TA102, TA1537, TA98
- Metabolic activation:
- with and without
- Metabolic activation system:
- S9
- Test concentrations with justification for top dose:
- 312.5, 625, 1250, 2500, 5000 ug/plate
- Vehicle / solvent:
- The vehicle was acetone, batch No. 074BR (Prolabo, 75011 Paris, France).
Controls
- Untreated negative controls:
- yes
- Remarks:
- acetone
- Negative solvent / vehicle controls:
- yes
- Remarks:
- acetone
- Positive controls:
- yes
- Positive control substance:
- other: Five known mutagens, dissolved in dimethylsulfoxide (except for Mitomycin C in distilled water), were used to check the sensitivity of the test system: sodium azide, 9-aminoacridine, 2-nitrofluorene, mitomycin C, 2-anthramine
- Details on test system and experimental conditions:
- Rationale for dose selection
The top dose was selected according to the following criteria specified in international regulations:
• for non-toxic, freely soluble test substances, the top dose is 5000 ug/plate,
• for non-toxic, poorly soluble test substances, the top dose is the lowest precipitating dose.
• for toxic test substances, irrespective of solubility, the top dose is based on the level of toxicity: clearing of the bacterial lawn and/or reduction in the number of revertants when compared to the controls. However, precipitation should not interfere with the scoring of the test.
Treatment
The day before treatment, cultures were inoculated from frozen permanents: a crystal was sampled under sterile conditions and put into approximately 6 ml of nutrient broth. The nutrient broth was then placed under agitation in an incubator at 37°C for about 14 hours.
The tests were performed according to:
-direct plate incorporation method (both tests without S9 mix, first test with S9 mix): 0.05 ml of the test substance solution, 0.5 ml of S9 mix when required and 0.1 ml of the strain were mixed with 2 ml of overlay agar containing traces of the relevant amino-acid and biotin and maintained at 45°C.After rapid homogenization, the mixture was spread out on a Petri plate containing minimum medium.
-preincubation method (second test with S9 mix): 0.05 ml of the test substance solution, 0.5 ml of S9 mix and 0.1 ml of the strain were incubated for 60 minutes at 37°C prior adding the overlay agar and pouring onto the surface of a minimum agar plate.
After 48 to 72 hours of incubation at 37°C, revertants were scored with an automatic counter (Artek counter, model 880, O.S.L, 75015 Paris, France).
Preliminary toxicity test
To assess the toxicity of the test substance to the bacteria, six doses (one plate/dose) were tested in the T A 98, TAl 00 and TAl 02 strains, with or without S9 mix.The sterility of the test substance was checked during this test and was found to be satisfactory.
Mutagenicity tests
In two independent tests, five doses of the test substance (three plates/dose) were tested on each strain, with or without S9 mix. A third test was performed with S9 mix.
During each test, the following controls were made using triplicate plates:
-vehicle control: strain treated with the vehicle,
-positive control: strain treated with the known mutagens previously mentioned.
The sterility of the S9 mix was checked during each test (before the beginning and at the end of the experiment) and was found to be satisfactory. - Evaluation criteria:
- Treatment of results
During each test, for each strain and for each experimental point, the number of revertants per plate was scored. The individual results and the mean number of revertants, with the corresponding standard deviation and ratio (mutants obtained in the presence of the test substance/mutants obtainedin the presence of the vehicle), are presented in a table in the attached study report.
Acceptance criteria:
This study was considered valid because the following criteria were fully met:
• the number of revertants of the controls was within the range of our historical data,
• the number of revertants of the positive controls was higher than that of the controls and
within the range of our historical data.
Evaluation criteria:
Biological relevance of the results was considered first. In addition, the following criteria may be used as an aid for determining a positive response:
• a dose-related increase in the number of revertants,
and/or
• a reproducible increase in the number of revertants (i.e. a doubling in at least one strain when compared to that of the controls) for at least one of the doses.
Results and discussion
Test results
- Species / strain:
- other: TA1535, TA100, TA102, TA1537, TA98
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- other: all strains/cell types tested
- Remarks:
- Migrated from field 'Test system'.
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information):
negative
Under the reported experimental conditions, the test substance LUPEROX 231 (1, I-DI-(tertBUTYLPEROXY)- 3,3,5-TRIMETHYLCYCLOHEXANE) did not show mutagenic activity in the reverse mutation assay on Salmonella typhimurium. - Executive summary:
RESULTS
MUTAGENICITY TESTS: The number of revertants of the vehicle and positive controls was as specified in the acceptance criteria and within the range of our historical data. The top dose was selected according to the criteria specified in the international regulations. Since the test substance was non-toxic, freely soluble, the top dose was 5000 ug/plate. The selected range dose was: 312.5,625, 1250,2500 and 5000 ug/plate. The test substance did not induce any significant increase in the number of revertants, with or without S9 mix, in any of the five strains. Since an increase in the number of revertants was obtained at 312.5 and 625 ug/plate for the TA 1537 strain in the first test with S9 mix using the direct incorporation method, but not in the second test using the preincubation method, a third test with S9 mix using the direct incorporation method, was performed using the following doses: 125, 250, 500, 1000 and 2000 ug/plate. No increase was recorded.
CONCLUSION: Under the reported experimental conditions, the test substance LUPEROX 231 (1, I-DI-(tertBUTYLPEROXY)- 3,3,5-TRIMETHYLCYCLOHEXANE) did not show mutagenic activity in the reverse mutation assay on Salmonella typhimurium.
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