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EC number: 201-972-0 | CAS number: 90-17-5
- 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
- Study period:
- May 27, 2019 to May 28, 2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- The study contains experimental data of the registered substance.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2020
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Version / remarks:
- Adopted on July 21, 1997
- GLP compliance:
- yes
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- 2,2,2-trichloro-1-phenylethyl acetate
- EC Number:
- 201-972-0
- EC Name:
- 2,2,2-trichloro-1-phenylethyl acetate
- Cas Number:
- 90-17-5
- Molecular formula:
- C10H9Cl3O2
- IUPAC Name:
- 2,2,2-trichloro-1-phenylethyl acetate
- Test material form:
- solid: particulate/powder
- Details on test material:
- - IUPAC Name: 2,2,2-trichloro-1-phenylethyl acetate
- Purity: 99.9%
- Physical appearance: White crystaline powder
- InChI: 1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3
- Smiles: c1([C@@H](OC(C)=O)C(Cl)(Cl)Cl)ccccc1
Constituent 1
- Specific details on test material used for the study:
- - Chemical Name: alpha-(Trichloromethyl)benzyl Acetate
- IUPAC Name: 2,2,2-trichloro-1-phenylethyl acetate
- Lot No.: QOHKE-JG
- Purity: 99.9%
- Physical appearance: White crystaline powder
- InChI: 1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3
- Smiles: c1([C@@H](OC(C)=O)C(Cl)(Cl)Cl)ccccc1
- Molecular Formula: C10H9Cl3O2
- Manufacture Date: April 30, 2019
- Retest Date: April 30, 2022
Method
- Target gene:
- Histidine operon
Species / strainopen allclose all
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98 and TA 100
- Details on mammalian cell type (if applicable):
- Cell Type : Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100.
Source : MOLTOX.
Culture media : Oxoid Nutrient Broth (Oxoid, CM0001).
Properly maintained: yes
- Species / strain / cell type:
- S. typhimurium TA 102
- Details on mammalian cell type (if applicable):
- Cell Type : Salmonella typhimurium strains TA 102
Source : MOLTOX.
Culture media : Oxoid Nutrient Broth (Oxoid, CM0001).
Properly maintained: yes
- Metabolic activation:
- with and without
- Metabolic activation system:
- Cofactor-supplemented liver S9 microsomal fraction was used as an exogenous metabolic activation. The S9 fraction was obtained from the liver of an Aroclor 1254-induced rat. The protein concentration in the S9 fraction was 36.2 mg/mL. Each batch of S9 mix was tested with 2-Aminoanthracene as well as benzo (a) pyrene for its efficiency. The cofactor contained D-glucose-6-phosphate (0.8 g), beta-NADP(1.75 g), MgCl2(1 g), KCl(1.35 g), NaHPO4(6.4 g), NaH2PO4.H20(1.4 g) in 500ml of Distilled water.
- Test concentrations with justification for top dose:
- Test concentrations:
Experiment 1: 0.0 (NC), 0.0(VC), 0.002, 0.005, 0.016, 0.050 and 0.158 mg/plate
Experiment 2: Additional testing at 0.501 mg/plate along with negative and vehicle controls.
Justification: In the preliminary cytotoxicity experiment, the test substance was assessed at the concentration range of 0.002 – 5 mg/plate based on the results of the solubility and precipitation test. This pre-experiment was performed with TA 98 and TA 100 strains both in the presence and absence of S9 metabolic activation.
Both in TA 98 and TA 100, complete toxicity was observed at treated concentrations 5 (T8) and 1.582 (T7) mg/plate concentration. At 0.501 (T6) mg/plate, a reduction in colony count and diminution of the background lawn were observed in TA 98 and TA 100 strains. There was no reduction in colony count or inhibition of the background lawn growth from 0.002 (T1) mg/plate up to 0.158 (T5) mg/plate in both TA 98 and TA100 stains either in the absence or presence of the metabolic activation system. The concentrations used in the experiment (pre-experiment, Trial I, and Trial-II) were placed with (√10) half log intervals. - Vehicle / solvent:
- Dimethyl sulphoxide (DMSO)
Controls
- Untreated negative controls:
- yes
- Remarks:
- Distilled water
- Negative solvent / vehicle controls:
- yes
- Remarks:
- DMSO
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- sodium azide
- methylmethanesulfonate
- other: 4-Nitro-o-phenylenediamine; 2-Aminoanthracene
- Details on test system and experimental conditions:
- NUMBER OF REPLICATIONS:
- Number of cultures per concentration: triplicate
- Number of independent experiments: 2
METHOD OF TREATMENT/ EXPOSURE:
- Test substance added in medium; in agar (plate incorporation); preincubation; Trial I: plate incorporation, Trial II: preincubation method
TREATMENT AND HARVEST SCHEDULE:
- Preincubation period, if applicable:
60 min
- Exposure duration/duration of treatment:
48 hours
METHODS FOR MEASUREMENTS OF GENOTOXICIY
: The colonies were counted manually - Evaluation criteria:
- A test item was considered as a mutagen, if a biologically relevant increase in the number of revertants exceeding the threshold of twice (strains TA 98, TA 100 and TA 102) or thrice (strains TA 1535 and TA 1537) the colony count of the corresponding vehicle/solvent control was observed.
- Statistics:
- Microsoft Office Excel-based calculation was used for descriptive statistical analysis.
Results and discussion
Test resultsopen allclose all
- Key result
- Species / strain:
- S. typhimurium TA 1535
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Remarks:
- Cytotoxicity was observed at 0.501 mg/plate with and without S9 metabolic activation system.
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- True negative controls validity:
- not examined
- Positive controls validity:
- valid
- Key result
- Species / strain:
- S. typhimurium TA 1537
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Remarks:
- Cytotoxicity was observed at 0.501 mg/plate with and without S9 metabolic activation system.
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- True negative controls validity:
- not examined
- Positive controls validity:
- valid
- Key result
- Species / strain:
- S. typhimurium TA 98
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Remarks:
- Cytotoxicity was observed at 0.501 mg/plate with and without S9 metabolic activation system.
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- True negative controls validity:
- not examined
- Positive controls validity:
- valid
- Key result
- Species / strain:
- S. typhimurium TA 100
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Remarks:
- Cytotoxicity was observed at 0.501 mg/plate with and without S9 metabolic activation system.
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- True negative controls validity:
- not examined
- Positive controls validity:
- valid
- Key result
- Species / strain:
- S. typhimurium TA 102
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Remarks:
- Cytotoxicity was observed at 0.501 mg/plate with and without S9 metabolic activation system.
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- True negative controls validity:
- not examined
- Positive controls validity:
- valid
- Additional information on results:
No significant increase in revertant counts was observed at concentrations tested in the five Salmonella Tryphumurium tester trains in the presence and absence of the S9 metabolic activation system.
Cytotoxicity demonstrated as a reduction in revertant counts was noted at 0.501 mg/plate both in the presence and absence of S9 metabolic activation in the 5 tester strains.- Remarks on result:
- other: No-mutagenic potential observed
Applicant's summary and conclusion
- Conclusions:
- The registered substance, 2,2,2-Trichloro-1-phenylethyl acetate (CAS No. 90-17-5) was tested non-mutagenic (negative) both in the presence and absence of S9 metabolic activation in an bacterial gene mutation study using Salmonella typhimurium TA98, TA100, TA102, TA1535 and TA1537 strains. The test was performed according to OECD TG 471 and GLP.
- Executive summary:
The mutagenic potential of the test substance, 2,2,2-Trichloro-1-phenylethyl acetate (CAS No. 90 -17 -5, E.C. no.: 201-972-0) has been tested on Salmonella typhimurium strains TA1535, TA1537, TA98, TA100 and TA102. The test was performed according to OECD 471, adopted on July 21, 1997. The test was performed using the plate incorporation method (Trial I, Experiment I-II) and the preincubation method (Trial II, Experiment I-II) both in the presence and absence of S9 metabolic activation system. Test concentrations were selected based on the result of a preliminary cytotoxicity test with strains TA98 and TA100. In the pre-test, eight concentrations of the test substance, i.e., 0.0 (NC), 0.0 (VC), 0.002, 0.005, 0.016, 0.050, 0.158, 0.501, 1.582 and 5 mg/plate were tested in triplicates. Complete cytotoxicity was observed at 5 and 1.582 mg/plate in strains TA98 and TA100, both in the presence and absence of S9 metabolic activation system. At 0.501mg/plate, cytotoxicity demonstrated as a reduction in colony count and diminution in background lawn was noted with and without metabolic activation in TA98 and TA100 strains. There was no reduction in colony count or background lawn growth inhibition from 0.002 mg/plate to 0.158 mg/plate in both TA98 and TA100 in the presence and absence of S9 metabolic activation system. Based on the results of the pre-experiment, the following doses were selected for the main study trials: Experiment 1: 0.0(NC), 0.0(VC), 0.002, 0.005, 0.016, 0.050 and 0.158 mg/plate, both in the presence (+S9) and absence (-S9) of metabolic activation. In Experiment 2: Additional testing at 0.501mg/plate along with 0.0(NC), 00(VC) and positive controls, both in presence (+S9) and absence (-S9) metabolic activation. The concentrations used in the experiment were spaced with (√10) half-log intervals. The bacterial strains were exposed to the test substance for 48 hours at 37 ± 2⁰C. The colonies were counted manually. The mean values of plates for each concentration, together with the standard deviation, were compared to the spontaneous reversion rates. Microsoft Office Excel-based calculation was used for descriptive statistical analysis. No significant increase in the revertant colony numbers of any of the tester strains was observed after the treatment with 2,2,2 -Trichloro-1 -phenylethyl acetate (CAS No. 90 -17 -5) at different dose concentrations in Experiment 1 and Experiment 2, both in the presence and absence of metabolic activation (S9 mix). The positive controls produced an expected increase in the number of revertant colonies, thus confirming the validity of the assay. Hence, the test substance 2,2,2 -Trichloro-1 -phenylethyl acetate (CAS No. 90 -17 -5) did not induce gene mutation within the histidine operon in Salmonella tryphimurium tester strains in the presence and absence of S9 metabolic activation system. The test was performed according to OECD TG 471 and GLP. The study was considered reliable without restrictions (Klimisch 1).
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