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EC number: 201-219-6 | CAS number: 79-69-6
- 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
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 000
- Report date:
- 2000
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Qualifier:
- according to guideline
- Guideline:
- EU Method B.13/14 (Mutagenicity - Reverse Mutation Test Using Bacteria)
- GLP compliance:
- yes (incl. QA statement)
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- rel-(E)-4-((1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
- Cas Number:
- 599-45-1
- Molecular formula:
- C14H22O
- IUPAC Name:
- rel-(E)-4-((1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
- Reference substance name:
- rel-(E)-4-((1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
- Cas Number:
- 472-46-8
- Molecular formula:
- C14H22O
- IUPAC Name:
- rel-(E)-4-((1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
- Reference substance name:
- 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-, (3E)-
- Cas Number:
- 72074-84-1
- Molecular formula:
- C14H22O
- IUPAC Name:
- 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-, (3E)-
- Reference substance name:
- 3-Buten-2-one, 4-(2,2,3,6-tetramethyl-3-cyclohexen-1-yl)-, [1α(E),6α]-
- Cas Number:
- 140632-46-8
- Molecular formula:
- C14H22O
- IUPAC Name:
- 3-Buten-2-one, 4-(2,2,3,6-tetramethyl-3-cyclohexen-1-yl)-, [1α(E),6α]-
- Reference substance name:
- 4-Penten-2-one, 5-(1,3,4-trimethyl-3-cyclohexen-1-yl)-, (E)-
- Cas Number:
- 162282-94-2
- Molecular formula:
- C14H22O
- IUPAC Name:
- 4-Penten-2-one, 5-(1,3,4-trimethyl-3-cyclohexen-1-yl)-, (E)-
Constituent 1
Constituent 2
impurity 1
impurity 2
impurity 3
- Specific details on test material used for the study:
- Name: Irone Alpha
Batch No.: 9000372727
Aggregate state at Room Temperature: liquid
Colour: pale yellow
Purity: 95% sum of isomers
Storage: room temperature
Expiration date: February 17, 2002
Method
- Target gene:
- Histidine
Species / strain
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98, TA 100 and TA 102
- Metabolic activation:
- with and without
- Metabolic activation system:
- S9
- Test concentrations with justification for top dose:
- In the pre-sexeriment the concentration range of the test item was 3 - 5000 μg/plate. The pre-experiment is reported as part of experiment I since no relevant toxic effects were observed and 5000 μg/plate were chosen as maximal concentration. The concentration range included two logarithmic decades. The following concentrations were tested:
33; 100; 333; 1000; 2500; and 5000 μg/plate - Vehicle / solvent:
- Ethanol. The solvent was chosen becuase of its solubility properties and its relative non-toxicity to the bacteria.
Controls
- Untreated negative controls:
- yes
- Remarks:
- concurrent untreated
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- not specified
- Positive controls:
- yes
- Positive control substance:
- sodium azide
- methylmethanesulfonate
- other: 4-nitro-o-phenylene-diamine (TA 1437, TA 98 without metabolic activation), 2-aminoanthracene (TA 1535, TA 1537, TA 98, TA 100, TA 102 with metabolic activation)
- Details on test system and experimental conditions:
- The histidine dependent strains are derived from S.typhimurium strain LT2 through a mutation in the histidine locus. Additionally due to the 'deep rough' (rfa-minus) mutation they posess a faulty lipopolysaccharide envelope which enables substances to penetrate the cell wall more easily. A further mutation causes an inactivation of the excision repair system. The latter alteration includes mutational processes in the nitrate reductase and biotin genes produced in a UV-sensitive area of the gene named 'uvrB-minus'. In the strains TA 98 and TA 100 and TA 102 the R-factor plasmid pKM 101 carries the ampicillin resistance marker. The train TA 102 does not contain the uvrB-mutation and is excision repair proficient. Additionally, TA 102 contains the multicopy plasmid pAQ1 carrying the hisG428 mutation (ochre mutation in the hisG hene) and a tetracycline resistance gene.
Regular checking of the properties of the strains regarding the membrane permeability, ampicillin- and tetracycline-resistance as well as spontaneous mutation rates is performed in the laboratory of RCC Cytotest Cell Research according to Ames et al.. In this was it was ensured that the experimental consitions set down by Ames were fulfilled.
The strain cultures were stored as stock cultures in ampoules with nutrient broth + 5% DMSO in liquid nitrogen. - Evaluation criteria:
- A test item is considered positive if either a dose related increase in the number of revertants or a biologically relevant increase for at least one test concentration is induced.
A test item producing neither a dose related increase in the number of revertants nor a biologically relevant positive response at any one of the test points is considered non-mutagenic in this system.
A biologically relevant response is described as follows:
A test item is considered mitagenic if the number of reversions is at least twice the spontaneous reversion rate in strains TA 98, TA 100 and TA 102 or thrice in strains TA 1535 and TA 1537 (3, 4).
Also, a dose-dependant and reproducible increase in the number of revertants is regarded as an indication of possibly exisitng mutagenic potential of the test item regardless whether the highest dose induced the criteria described above or not.
Acceptability of the Assay:
The Salmonella typhimurium reverse mutation assay is considered acceptable if it meets the following criteria:
- regular background growth in the negative and solvent control
- the spontaneous reversion rates in the negative and solvent control are in the range of our historical data
- the positive control substances should produce a significant increase in mutant colony frequencies
Results and discussion
Test resultsopen allclose all
- Species / strain:
- S. typhimurium TA 1535
- Metabolic activation:
- with and without
- Genotoxicity:
- not determined
- Cytotoxicity / choice of top concentrations:
- not specified
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 1537
- Metabolic activation:
- with and without
- Genotoxicity:
- not determined
- Cytotoxicity / choice of top concentrations:
- not specified
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 98
- Metabolic activation:
- with and without
- Genotoxicity:
- not determined
- Cytotoxicity / choice of top concentrations:
- not specified
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 100
- Metabolic activation:
- with and without
- Genotoxicity:
- not determined
- Cytotoxicity / choice of top concentrations:
- not specified
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 102
- Metabolic activation:
- with and without
- Genotoxicity:
- not determined
- Cytotoxicity / choice of top concentrations:
- not specified
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Additional information on results:
- The plates incubated with the tset item showed irregular background growth at 333 μg/plate and above with and without S9 mix in nearly all strains used.
No relevant increase in revertant colony numbers of any of the five tester strains was observed following treatment with Irone Alpha at any dose level, neither in the presence nor absence of metabolic activation (S9 mix). In experiment II there was an increase in revertant colony exceeding the threshold of thrice the number of the corresponding solvent control at 2500 nad 5000 μg/plate in strain 1535 with metabolic activation. Most likely, this increase is cuased by toxic effects of the test item, resulting in lower numbers of surviving bacteria on the corresponsing plates. A low number of bacteria competing for the traces of histidine introduced with the top agar leads to the bacterial colony grouwth intil the histidine is depleted. Such colonies were mistaken for mutant colonies although they tend to be rather small.
Appropriate reference mutagens were used as positive controls. They showed a distinct increase in induced revertant colonies.
Applicant's summary and conclusion
- Conclusions:
- In conclusion, it can be stated that during the described mutagenicity test and under the experimental conditions reported the test item did not induce gene mutations by base pair changes or frameshifts in the genome of the strains used.
Therefore, Irone Alpha is considered to be non-mutagenic in this Salmonella typhimurium reverse mutation assay.
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