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EC number: 933-047-9 | CAS number: 53880-05-0
- 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
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
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:
- Oligomerisation products of 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate and butan-1-ol and pentan-1-ol and 2-ethylhexan-1-ol, allophanate type
- EC Number:
- 933-047-9
- Cas Number:
- 53880-05-0
- Molecular formula:
- not applicable (UVCB substance)
- IUPAC Name:
- Oligomerisation products of 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate and butan-1-ol and pentan-1-ol and 2-ethylhexan-1-ol, allophanate type
- Test material form:
- solid: particulate/powder
Constituent 1
- Specific details on test material used for the study:
- - Stability under test conditions: A stability test in the solvent, did not reveal significant degradation of the active ingredient.
Method
- Target gene:
- histidine locus
Species / strain
- Species / strain / cell type:
- S. typhimurium, other: TA 1535, TA 100, TA 1537, TA 98, TA 102
- Metabolic activation:
- with and without
- Metabolic activation system:
- S9 Mix from rat liver homogenates with Aroclor 1254 for enzyme induction
- Test concentrations with justification for top dose:
- Initial test (plate incorporation): 0, 50, 158, 500, 1581, 5000 µg/plate with and without S9-mix.
Independent repeat (preincubation method): 0, 50, 158, 500, 1581, 5000 µg/tube (with and without S9-mix). - Vehicle / solvent:
- Ethylene glycol dimethylether
Controls
- Untreated negative controls:
- no
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- other: Na-azide (only TA 1535), nitrofurantoin (only TA 100), 4-nitro-1,2-phenylene diamine (TA 1537 and TA 98), mitomycin C (only TA 102 in plate incorporation assay), cumene hydroperoxide (only TA 102 in preincubation assay), 2-aminoanthracene.
- Remarks:
- The positive controls sodium azide, nitrofurantoin, 4-nitro-1,2-phenylene diamine, mitomycin C and cumene hydroperoxide were only used without S9 mix; the positive control 2-aminoanthracene was only used with S9 mix.
- Details on test system and experimental conditions:
- METHOD OF APPLICATION: in agar (plate incorporation) for initial testing; as preincubation method for independent repeat (preincubation for 20 min. at 37 °C).
Testings for each strain and dose with and without S9 mix was performed in triplicate, which is also valid for solvent and positive controls.
DETERMINATION OF CYTOTOXICITY
- gross appraisal of background growth
- mutant count: A toxic effect was assumed when there was a marked and dose-dependent reduction in the mutant count per plate, compared to the negative controls. - Evaluation criteria:
- A reproducible and dose-related increase in mutant counts of at least one strain is considered to be a positive result. For TA 1535, TA 100 and TA 98 this increase should be about twice that of negative controls, whereas for TA 1537, at least a threefold increase should be reached. For TA 102 an increase of about 100 mutants should be reached. Otherwise, the result is evaluated as negative. However, these guidelines may be overruled by good scientific judgment.
In case of questionable results, investigations should continue, possibly with modifications, until a final evaluation is possible.
Results and discussion
Test results
- Species / strain:
- S. typhimurium, other: TA 1535, TA 100, TA 1537, TA 98, TA 102
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity, but tested up to precipitating concentrations
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Additional information on results:
- None of the five strains concerned showed a dose-related and biologically relevant increase in mutant counts over those of the negative controls. This applied both to the tests with and without S9 mix
TEST-SPECIFIC CONFOUNDING FACTORS
- Precipitation: At 1581 μg per plate, the substance started to precipitate, so that for TA 1537 the dose 5000 μg per plate could not be used for assessment purpose.
ADDITIONAL INFORMATION ON CYTOTOXICITY: There was no indication of a bacteriotoxic effect at assessable doses of up to and including 5000 μg per plate and up to and including 1581 μg per tube. - Remarks on result:
- other: all strains/cell types tested
Applicant's summary and conclusion
- Executive summary:
The substance was investigated in a bacterial reverse mutation (Ames) test according to OECD TG 471 on Salmonella typhimurium strains TA 1535, TA 100, TA, 1537, TA 98, and TA 102 with and without S9 mix. The initial testing used doses up to and including 5000 µg/plate. The independent repeat was performed as preincubation for 20 minutes at 37 °C in the same dose range.
Substance precipitation occurred at 1581 µg/plate and above. Assessable doses up to and including 5000 µg per plate did not cause any bacteriotoxic effect. No biologically relevant increase in the mutant count, in comparison with the negative controls, was observed, therefore the test substance was considered to be non-mutagenic without and with S9 mix in the plate incorporation as well as in the preincubation modification.
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