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EC number: 227-577-3 | CAS number: 5894-79-1
- 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
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Genetic toxicity: in vitro
Administrative data
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Sept 9-26, 2001
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 001
- Report date:
- 2001
Materials and methods
- Principles of method if other than guideline:
- The chemical intermediate SCH 1000 Formylester NV of SCH 1000 BR-synthesis was investigated in a modified bacterial mutagenicity test as described by Ames et al. (1975). This high throughput microtitre-based version, called Ames II, is based on the same genetic principle (base-pair substitution and frameshift mutations in the his operon of S. typhimurium) as the traditional Ames assay (Gee et al, 1998).
- GLP compliance:
- no
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- Methyl formylphenylacetate
- EC Number:
- 227-577-3
- EC Name:
- Methyl formylphenylacetate
- Cas Number:
- 5894-79-1
- Molecular formula:
- C10H10O3
- IUPAC Name:
- methyl 3-oxo-2-phenylpropanoate
Constituent 1
Method
Species / strainopen allclose all
- Species / strain / cell type:
- S. typhimurium TA 98
- Species / strain / cell type:
- S. typhimurium, other: TA mix (TA 7001, 7002, 7003, 7004, 7005, 7006)
- Metabolic activation:
- with and without
- Metabolic activation system:
- S9 mix
- Test concentrations with justification for top dose:
- the test article was tested over a concentration range of 10 to 1000 µg/ml medium with and without microsomal rat liver enzymes concurrently with positive and negative controls
- Vehicle / solvent:
- DMSO
Controls
- Negative solvent / vehicle controls:
- yes
- Positive controls:
- yes
- Positive control substance:
- 4-nitroquinoline-N-oxide
- 2-nitrofluorene
- other: 2-aminoanthracene
- Details on test system and experimental conditions:
- The Ames II test was conducted with and without addition of microsomal liver enzymes from rats (Aroclor 1254-induced). Following base-pair and frameshift-specific tester strains were used: S. typhimurium TA Mix (TA 7001, TA 7002, TA 7003, TA 7004, TA 7005 and TA 7006) and TA 98, respectively. The Salmonella strains and method are described by Gee et al. (1998).
The assay was performed according to the instruction manual for the Ames II (Xenometrix, Boulder/USA). 0.01 ml of the vehicle, test article or positive control were incubated with
0.24 ml bacterial ovemight culture (ca 10^7/ml)/exposure medium in 24-well plates for 90 min at 37°C, 250 rpm. With metabolic activation 0.2 ml strain mixture and 0.04 ml S9-mix (30%) were used. After 90 min the exposed cultures were diluted with pH indicator medium lacking histidine and aliquoted into 48 wells of a 384-well plate (3 replicates) using a 8-channel pipettor. The plates were incubated for 48 hrs at 37°C. - Rationale for test conditions:
- the experiment is regarded valid, if the vehicle control shows the normal spontaneous revertant and the diagnostic mutagens cause the expected increase in the mutation rate.
- Evaluation criteria:
- The individual test chemicals were classified according to the following criteria: Negative: ≤8/48 wells Equivocal: 9-12/48 wells Positive: ≥13/48 wells
The historical control range experienced in this laboratory covering more than 100 experi¬ments is 0-7/48 wells.
A concentration-dependent increase of revertant wells (mean of triplicate) over the vehicle control range is indicative for a genotoxic activity of the test article - Statistics:
- The purple pH indicator bromocresol tums yellow as the pH drops due to the accumulation of catabolites from the metabolic activity of revertant cells. The number of positive wells (yellow) out of a total of 48 wells is indicative of the reversion frequency per replicate/ concentration and was compared to the number of spontaneous revertant wells of the solvent control. Each test point contains 48 wells of a 384-well plate. In each 48-well section, the wells were scored for the number of revertant wells (yellow) and the mean value of the triplicates was calculated.
Results and discussion
Test resultsopen allclose all
- Species / strain:
- S. typhimurium TA 98
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- True negative controls validity:
- not examined
- Positive controls validity:
- valid
- Species / strain:
- other: TA mix (TA 7001, 7002, 7003, 7004, 7005, 7006)
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- True negative controls validity:
- not examined
- Positive controls validity:
- valid
Applicant's summary and conclusion
- Conclusions:
- based on the described result it is concluded, that SCH 1000 Formylester NV, when tested up to toxic concentrations, caused neither base-pair substitution nor frameshift mutations in bacteria. No evidence of genotoxic activity was observed in as series of S. typhimurium tester strains (TA mix and TA 98) in the absence and presence of metabolic activation. The test compound is, therefore, classified as "Ames II negative"
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