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EC number: 264-431-8 | CAS number: 63721-05-1
- 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
![](https://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_toxicological-information.png)
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:
- 1988-01-26 to 1988-02-13
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 988
- Report date:
- 1988
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Deviations:
- no
- GLP compliance:
- yes
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- Methyl 3,3-dimethylpent-4-enoate
- EC Number:
- 264-431-8
- EC Name:
- Methyl 3,3-dimethylpent-4-enoate
- Cas Number:
- 63721-05-1
- Molecular formula:
- C8H14O2
- IUPAC Name:
- methyl 3,3-dimethylpent-4-enoate
- Details on test material:
- - Substance type: ester
- Physical state: colourless liquid
- Purity test date: not reported
- Expiration date of the lot/batch: not reported
- Stability under test conditions: not determined
- Storage condition of test material: at 4°C
Constituent 1
Method
- Target gene:
- his G46 (S. typhimurium TA1535 and TA100)
his C3076 (TA1537)
his D3052 (TA1538 and TA98)
trp (E. coli WP2 uvrA)
Species / strainopen allclose all
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98, TA 100 and E. coli WP2
- Additional strain / cell type characteristics:
- not specified
- Species / strain / cell type:
- S. typhimurium, other: TA 1538
- Additional strain / cell type characteristics:
- not specified
- Metabolic activation:
- with and without
- Metabolic activation system:
- Aroclor 1254-induced CD (Sprague-Dawley derived) rat liver S9 fraction, diluted 1:10, co-factors glucose-6-phosphate (5mM), NADH (4 mM) and NADP (4 mM)
- Test concentrations with justification for top dose:
- Dose range finding preliminary toxicity test: 5000, 500, 50, 5 microgram/plate
Test 1 and 2: 2000, 1000, 500, 250, 125 microgram/plate - Vehicle / solvent:
- - Vehicle/solvent used: DMSO (0.1 mL/plate)
- Justification for choice of solvent/vehicle: not reported
Controlsopen allclose all
- Untreated negative controls:
- no
- Negative solvent / vehicle controls:
- yes
- Remarks:
- 3 plates per strain
- True negative controls:
- no
- Positive controls:
- yes
- Remarks:
- 3 plates per strain
- Positive control substance:
- N-ethyl-N-nitro-N-nitrosoguanidine
- Remarks:
- without metabolic activation
(TA 1535, TA 100, WP2), 2-nitrofluorene (TA 98, TA 1538), 9-aminoacridine (TA 1537)
- Untreated negative controls:
- no
- Negative solvent / vehicle controls:
- yes
- Remarks:
- 3 plates per strain
- True negative controls:
- no
- Positive controls:
- yes
- Remarks:
- 3 plates per strain
- Positive control substance:
- other: 2-aminoanthracene (all strains)
- Remarks:
- with metabolic activation
- Details on test system and experimental conditions:
- METHOD OF APPLICATION: in agar (plate incorporation)
DURATION
- Pre-culture: 10 hours
- Preincubation period: 20 min at 37°C
- Exposure duration: 72 hours at 37°C
NUMBER OF REPLICATIONS:
- Preliminary toxicity test: 1 plate per concentration, with and without S-9 mix
- Tests 1 and 2: 3 plates per concentration, with and without S-9 mix
- Two identical replicate experiments with the same concentrations: Test 1 and 2
DETERMINATION OF CYTOTOXICITY
- Method: inspection of the bacterial background lawn for completeness, reduction of revertant colony counts
COUNTING
- Revertant colonies were counted using an automated colony counter - Evaluation criteria:
- Positive response:
- statistically significant dose-related increase in number of revertants in two separate experiments - Statistics:
- - Mean colony count / plate and standard deviation
- Assessment of statistical significance (not further specified)
Results and discussion
Test resultsopen allclose all
- Species / strain:
- S. typhimurium TA 1535, TA 1537, TA 98, TA 100 and E. coli WP2
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Remarks:
- See tables 2 and 3
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Remarks:
- Pretest: no or incomplete bacterial lawn at 5000 microgram/plate; mutation test: no cytotoxicity observed at 2000 microgram/plate
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium, other: TA 1538
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Remarks:
- See tables 2 and 3
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Remarks:
- Pretest: no or incomplete bacterial lawn at 5000 microgram/plate; mutation test: no cytotoxicity observed at 2000 microgram/plate
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Additional information on results:
- TEST-SPECIFIC CONFOUNDING FACTORS
- Effects of pH: Not reported
- Effects of osmolality: Not reported
- Evaporation from medium: Not to be expected, due to low vapor pressure (8.5 hPa at 25°C)
- Water solubility: sufficient (240 mg/L at 25°C)
- Precipitation: none observed
- Other confounding effects: none
RANGE-FINDING/SCREENING STUDIES:
- Cytotoxicity to all tester strains detected at 5000 microgram/plate
- Top concentration in main test consequently reduced to 2000 microgram/plate
COMPARISON WITH HISTORICAL CONTROL DATA:
- Not reported
ADDITIONAL INFORMATION ON CYTOTOXICITY:
- 5000 microgram/plate, without S-9 mix: No bacterial lawn with TA 100, TA1535, TA 98, TA 1537, and TA 1538; incomplete lawn with WP2 uvra
- 5000 microgram/plate, with S-9 mix: No bacterial lawn with WP2 uvra and TA 1537; incomplete lawn with TA 100, TA1535, TA 98, and TA1538 - Remarks on result:
- other: all strains/cell types tested
Any other information on results incl. tables
Table 1: Dose range finding test: Revertant colony counts obtained
Material | Test conc. | With / | Reverse | mutation: | Colonies | / plate | ||
microgram | without | Base pair | exchange | type | Frame shift | exchange | type | |
/ plate | S-9 mix | TA 100 | TA 1535 | WP2 uvrA | TA 98 | TA 1537 | TA 1538 | |
Solvent control | - | 107 | 15 | 68 | 21 | 7 | 18 | |
Test item | 5000 | - | NL | NL | IL | NL | NL | NL |
500 | - | 114 | 9 | 74 | 21 | 4 | 14 | |
50 | - | 108 | 8 | 73 | 17 | 5 | 13 | |
5 | - | 125 | 10 | 62 | 17 | 6 | 14 | |
Solvent control | + | 120 | 12 | 59 | 27 | 7 | 14 | |
Test item | 5000 | + | IL | IL | NL | IL | NL | IL |
500 | + | 96 | 9 | 62 | 16 | 9 | 15 | |
50 | + | 120 | 12 | 64 | 20 | 9 | 11 | |
5 | + | 91 | 14 | 66 | 23 | 12 | 15 |
NL No bacterial lawn
IL Incomplete bacterial lawn
Table 2: Test 1 (Mutation test): Mean revertant colonies obtained (mean of three plates)
Material | Test conc. | With / | Reverse | mutation: | Colonies | / plate | ||
microgram/plate | without | Basepair | exchange | type | Frameshift | exchange | type | |
S-9 mix | TA 100 | TA 1535 | WP2 uvrA | TA 98 | TA 1537 | TA 1538 | ||
Solvent control | - | 115 | 16 | 61 | 22 | 12 | 11 | |
Test item | 2000 | - | 74 | 11 | 62 | 17 | 13 | 9 |
1000 | - | 96 | 10 | 60 | 20 | 13 | 11 | |
500 | - | 103 | 11 | 66 | 23 | 10 | 7 | |
250 | - | 107 | 11 | 48 | 19 | 16 | 9 | |
125 | - | 110 | 11 | 51 | 19 | 9 | 10 | |
Solvent control | + | 128 | 14 | 61 | 24 | 14 | 12 | |
Test item | 2000 | + | 88 | 8 | 51 | 20 | 12 | 13 |
1000 | + | 102 | 10 | 56 | 20 | 12 | 6 | |
500 | + | 109 | 11 | 58 | 20 | 9 | 12 | |
250 | + | 121 | 11 | 64 | 23 | 9 | 12 | |
125 | + | 124 | 9 | 52 | 17 | 10 | 13 | |
Positive controls | name | ENNG | ENNG | ENNG | NF | 9 AC | NF | |
microgram/plate | - | 3 | 5 | 2 | 1 | 80 | 2 | |
colonies/plate | 357 | 423 | 714 | 86 | 1586 | 63 | ||
name | AA | AA | AA | AA | AA | AA | ||
microgram/plate | + | 1 | 2 | 20 | 0.5 | 2 | 0.5 | |
colonies/plate | 627 | 118 | 388 | 149 | 103 | 131 |
Table 3: Test 2 (Mutation test): Mean revertant colonies obtained (mean of three plates)
Material | Test conc. | With / | Reverse | mutation: | Colonies | / plate | ||
microgram/plate | without | Basepair | exchange | type | Frameshift | exchange | type | |
S-9 mix | TA 100 | TA 1535 | WP2 uvrA | TA 98 | TA 1537 | TA 1538 | ||
Solvent control | - | 136 | 15 | 66 | 36 | 13 | 16 | |
Test item | 2000 | - | 107 | 11 | 69 | 23 | 11 | 17 |
1000 | - | 116 | 12 | 64 | 20 | 11 | 14 | |
500 | - | 127 | 11 | 69 | 24 | 10 | 12 | |
250 | - | 112 | 11 | 65 | 26 | 10 | 11 | |
125 | - | 116 | 14 | 64 | 23 | 10 | 12 | |
Solvent control | + | 132 | 12 | 75 | 23 | 15 | 17 | |
Test item | 2000 | + | 95 | 9 | 74 | 20 | 13 | 14 |
1000 | + | 120 | 16 | 63 | 21 | 12 | 12 | |
500 | + | 127 | 15 | 65 | 20 | 12 | 16 | |
250 | + | 104 | 12 | 65 | 22 | 15 | 12 | |
125 | + | 144 | 10 | 66 | 20 | 10 | 14 | |
Positive controls | name | ENNG | ENNG | ENNG | NF | 9 AC | NF | |
microgram/plate | - | 3 | 5 | 2 | 1 | 80 | 2 | |
colonies/plate | 353 | 172 | 941 | 88 | 2310 | 53 | ||
name | AA | AA | AA | AA | AA | AA | ||
microgram/plate | + | 1 | 2 | 20 | 0.5 | 2 | 0.5 | |
colonies/plate | 484 | 112 | 431 | 140 | 79 | 138 |
Explanations to tables 2 and 3: Positive control substances
ENNG: N-ethyl-N'-nitro-N-nitrosoguanidine
9 AC: 9-aminoacridine
NF: 2-nitrofluorene
AA: 2-aminoanthracene
Applicant's summary and conclusion
- Conclusions:
- The test material was found to be non-mutagenic to five Salmonella typhimurium strains and one E. coli strain under the conditions of the assay. The study report is relevant, adequate and reliable for risk assessment, classification and labeling.
- Executive summary:
The ability of the test material to induce reverse mutations was assessed in an in vitro bacterial system, Salmonella typhimurium strains TA 98, TA 100, TA 1535, TA 1537 and TA 1538, as well as E. coli strainWP2 uvrA (Ames test).
Bacteria were treated with the test compound in a plate incorporation test. A dose range finding test showed cytotoxicity in all tested strains at 5000 microgram/plate. In the mutagenicity tests, five dose levels (between 125 and 2000 microgram/plate) were assayed in triplicate, both with and without metabolic activation (Aroclor 1254 induced rat liver S-9 mix). Two independent experiments were carried out to establish reproducibility. No precipitation and no cytotoxicity were observed in the main tests. All six bacterial strains exhibited mutagenic responses to the appropriate positive control substances. Solvent controls were also tested with each strain, and the mean numbers of spontaneous revertants were found to be acceptable.
No substantial increases in revertant colony numbers of any of the six tester strains were observed following treatment with the test substance at any dose level, with and without metabolic activation (S-9 mix).
The authors hence conclude that no evidence of mutagenic potential of the test item was obtained in the bacterial test system at the dose levels used.
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