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EC number: 244-033-0 | CAS number: 20780-48-7
- 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:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Version / remarks:
- 1994
- Deviations:
- no
- GLP compliance:
- yes
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- 3,7-dimethyloctan-3-yl acetate
- EC Number:
- 244-033-0
- EC Name:
- 3,7-dimethyloctan-3-yl acetate
- Cas Number:
- 20780-48-7
- Molecular formula:
- C12H24O2
- IUPAC Name:
- 3,7-dimethyloctan-3-yl acetate
- Test material form:
- liquid
Constituent 1
Method
- Target gene:
- Histidine
Species / strain
- Species / strain / cell type:
- S. typhimurium, other: TA1535, TA97, TA98, TA100, and TA102
- Additional strain / cell type characteristics:
- not applicable
- Metabolic activation:
- with and without
- Metabolic activation system:
- Phenobarbital/B-naphthoflavone induced rat liver S-9 mix.
- Test concentrations with justification for top dose:
- Justification top dose: Slight toxic effects (weak reduction in the background growth) was observed at the top concentration of 5000 µg/plate in the preliminary test.
Concentrations main study:
Experiment 1: All strains (with and without metabolic activation) 0, 50, 166, 500, 1666, and 5000 µg/plate
Experiment 2: All strains (with and without metabolic activation) 0, 50, 166, 500, 1666, and 5000 µg/plate
Experiment 3: TA1535 / TA98 / TA100 / TA102 (without metabolic activation) 0, 0.5, 1.6, 5, 16.6, and 50 µg/plate and TA98 / TA100 (with metabolic acitvation) 0, 5, 16.6, 50, 166, and 500 µg/plate - Vehicle / solvent:
- - Vehicle/solvent used: DMSO
- Justification for choice of solvent/vehicle: The compound was soluble in dimethylsulfoxide (DMSO).
Controls
- Untreated negative controls:
- yes
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- 2-nitrofluorene
- sodium azide
- mitomycin C
- other: 2-Aminoanthracene (all strains; 4 µg/plate) / ICR191 (TA97; 1µg/plate)
- Details on test system and experimental conditions:
- METHOD OF APPLICATION: Experiment 1 in agar (plate incorporation) and experiment 2 and 3 preincubation.
- Cell density at seeding: 1.0 - 2.7 x 10^8 plated per plate.
DURATION
Plate incorporation (experiment 1):
- Exposure duration: 48 hours
Preincubation experiments (2 and 3):
- Preincubation period: 30 minutes
- Exposure duration: 48 hours
NUMBER OF REPLICATIONS: 3 plates per concentration and two plates for positive controls.
DETERMINATION OF CYTOTOXICITY
- Method: relative total growth (reduction in background lawns) - Evaluation criteria:
- The study director was responsible for the ultimate decision in the evaluation of the results.
Results and discussion
Test results
- Key result
- Species / strain:
- S. typhimurium, other: TA1535, TA98, TA97, TA100 and TA102
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Additional information on results:
- RANGE-FINDING/SCREENING STUDIES:
A preliminary test was performed using strain TA100 and 0, 1, 3, 10 , 33, 100, 333, 1000, 3333, and 5000 µg/plate test substance. Slight toxic effects (weak reduction in the background growth) was observed at the top concentration of 5000 µg/plate in the preliminary test.
HISTORICAL CONTROL DATA
The mutant frequencies of the controls were in the range of the historical controls and the data published in the literature (Maron and Ames, 1983; Levin et at., 1982a, 1982b). The positive controls induced significant increases in the mutant frequencies verifying the sensitivity of the strains used. For TA100 the spontaneous rates were at the low range. Nevertheless the experiments were considered acceptable, since the positive controls verified the responsiveness of the cultures used. Neither in the standard plate incorporation nor in the preincubation assay any increase in the mutant frequency was observed for the five tester strains after treatment with the test substance
ADDITIONAL INFORMATION ON CYTOTOXICITY:
For the main experiments the concentration range 50 to 5000 µg/plate, the generally recommended highest test concentration for non toxic compounds, was selected. Upon addition to the aqueous medium, increasingly milky suspensions were observed at 166 (standard assay) and 50 µg/plate preincubation assay). In addition an oily precipitate was noticed starting at 1666 and 500 µg/plate for the standard and preincubation assay, respectively. Using the standard plate incorporation assay no toxicity was observed. Using the preincubation modification, known to be more sensitive for several class of compounds, toxic effects were pronounced starting for some strains (-S9) at 50 µg/plate. Therefore a repeat experiment using the preincubation method was performed in the concentration range 0.5 to 50 µg/plate with strains TA1535, TA98, TA100, and TA102 without S9 and in the dose range 5 to 500 µg/plate with strains TA98, and TA100 with S9. - Remarks on result:
- other: results for plate incorporation and preincubation method
Applicant's summary and conclusion
- Conclusions:
- Under the conditions of the test, Tetrahydrolinalyl acetate was found to be not mutagenic. Therefore, the substance does not need to be classified for mutagenicity in accordance with the criteria outlined in Annex I of the CLP Regulation (1272/2008/EC).
- Executive summary:
An Ames test was performed according to OECD 471 and in compliance with GLP. A standard plate incorporation and a preincubation modification assay in absence and in presence of metabolic activation system (S9) were performed. Five Salmonella typhimurium tester strains (TA1535, TA97, TA98, TA100, and TA102) were exposed to concentrations ranging from 50 – 5000 µg/plate. Experiments were performed in triplicate. The activity of the S9-mix and the responsiveness of the tester strains were verified by including appropriate controls into each experiment. It was concluded, that neither the test substance per se, nor any of its metabolites formed under the experimental conditions, induced genetic damage in the Ames test. Therefore Tetrahydrolinalyl acetate was concluded to be not mutagenic. Based on this result, the substance does not need to be classified for mutagenicity in accordance with the criteria outlined in Annex I of the CLP Regulation (1272/2008/EC).
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