Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 226-603-0 | CAS number: 5435-64-3
- 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:
- 1 996
- Report date:
- 1996
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:
- 3,5,5-trimethylhexanal
- EC Number:
- 226-603-0
- EC Name:
- 3,5,5-trimethylhexanal
- Cas Number:
- 5435-64-3
- Molecular formula:
- C9H18O
- IUPAC Name:
- 3,5,5-trimethylhexanal
- Details on test material:
- Date of production: February/March 1996
Properties: colourless, liquid, homogenous
Stability: > 1 year
ph: not determinate
Purity: 91,2 mass- % (GC analysis)
Constituent 1
Method
- Target gene:
- Four Salmonella typhimurium strains (TA 98, TA 100, TA 1535 and TA 1537) were obtained directly from Dr. Ames, University of Berkeley, USA. They contain specific types of mutations as well-defined locations in different genes of the histidine operon. The strains detec mutations that restore the ability to synthesize histidine, resulting in the growth of visible bacterial colonies on histidine-deficient media.
- Test concentrations with justification for top dose:
- 5 test compound concentrations, both with and without the addition of a metabolising system (Aroclor 1254 induced rat liver S9 mix) were employed
Positive control (with metabolic activation) - 2-aminoanthracene, vehicle DMSO, 2.5 µg/plate
Solvent control, vehicle DMSO, 100 (plate incorporatin) or 50 µl/plate (preincubation test) - Vehicle / solvent:
- The tests with a metabolising system were carried out with an Aroclor 1254 induced rat liver S9 fraction.
The enzymatic activity of which was checked on all strains with 2-aminoanthracene.
- Details on test system and experimental conditions:
- The tester strains were stored as frozen permanents at - 80 C. Fresh working cultures were prepared for each test day by inoculation bacteria from
frozen working cultures into nutrient broth. Cultures were incubated overnight (approx. 18 hrs) at 37 °C with gentle agitation. The bacterial titer was determined by platin a 10 6-dilution of the overnight culture on nutrient agar plates and counting the resultant colonies after 48 hrs incubation at
37 ° C. - Evaluation criteria:
- For a test compound to be considered positive, it must (in two independent experiments) cause at lest a doubling in the mean revertants per plate of at least one tester strain. This increase must be accompanied by a dose response towards increasing concentrations of the test article. A test
article that does not meet these criteria will be called non-mutagenic in bacteria. Single increases in revertant frequencies, which are not dose-
related and not reproducible in two independent tests, this will be taken as an indication of a mutgenic effect. - Statistics:
- Bacterial colonies were counted on an Artek Model 880 Colony Counter which was calibrated for each test to check the counting accuracy. In
addition, an examination of the bacterial background lawn on each plate was made. If no background lawn was observed, this was recorded and
no plate count was performed. If the background lawn was reduced as compared to the solvent control, this was also recorded, but colonies were counted. A reduction in the number of spontaneous revertants is also indicative of toxicity.
For all replicate platings, the mean number of revertants per plate and the standard deviation around the mean were calculated.
Results and discussion
Test resultsopen allclose all
- Species / strain:
- E. coli WP2
- Metabolic activation:
- with and without
- Genotoxicity:
- not determined
- Cytotoxicity / choice of top concentrations:
- not determined
- Vehicle controls validity:
- not examined
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- not examined
- Species / strain:
- S. typhimurium TA 1537
- Remarks:
- preincubation and plate incorporation
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity
- Remarks:
- 15.1W
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 1535
- Remarks:
- preincubation and plate incorporation
- 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
- Species / strain:
- S. typhimurium TA 100
- Remarks:
- preincubation and plate incorporation
- 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
- Species / strain:
- S. typhimurium TA 98
- Remarks:
- preincubation and plate incorporation
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity
- Remarks:
- 15.1W
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- 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:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Additional information on results:
- All four bacterial strains exhibited mutagenic responses to the appropriate positive control substance. Solvent controls were also tested with each strain and the mean numbers of spontaneous revertants were in an acceptable range.
In each test, 5 test compound concentrations, both with and without the addition of a metabolising system (Aroclor 1254 induced rat liver S9 mix) were employed. Limited by the bacteriotoxic activity of the test compound, these concentrations were different for the individual tester strains but did not exceed 5000 µg/plate.
A reproducible mutagenic activity of the test compound to one or more of the tester strains was not observed with and without metabolic activation.
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results: negative
TRIMETHYLHEXANAL did not include a mutagenic effect in S. typhimurium. It is therefore not considered to be a bacterial mutagen. - Executive summary:
TRIMETHYLHEXANAL was tested for its ability to induce reverse mutations in an in vitro bacterial system.
Salmonella typhimurium strains TA 98, TA 100, TA 1535 and TA 1537 were treated with the test compound by the Ames test plate incorporation (tests #15.1 and #15.1 W) as well as the preincubation method (tests #15.2 and #15.2). In each test, 5 test compound concentrations, both with and without the addition of a metabolising system (Aroclor 1254 induced rat liver S 9 mix) were employed. Limited by the bacteriotoxic activity of the test compound, these concentrations were different for the individual tester strains but did not exceed 5000 µg/plate.
All four bacterial strains exhibited mutagenic responses to the appropriate positive control substances. Solvent controls were also tested with each strain and the mean of numbers of spontaneous revertants were in an acceptable range.
A reproducible mutagenic activity of the test compound to one or more of the tester strains was not observed with and without metabolic activation.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.