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EC number: 244-894-2 | CAS number: 22288-43-3
- 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
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- Endpoint summary
- Stability
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- 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:
- 17 March 2003 - 09 June 2003
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 004
- Report date:
- 2004
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- GLP compliance:
- yes
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- 1,1,3,3-tetramethylbutyl 2-ethylperoxyhexanoate
- EC Number:
- 244-894-2
- EC Name:
- 1,1,3,3-tetramethylbutyl 2-ethylperoxyhexanoate
- Cas Number:
- 22288-43-3
- Molecular formula:
- C16H32O3
- IUPAC Name:
- 2,4,4-trimethylpentan-2-yl 2-ethylhexaneperoxoate
- Details on test material:
- 1,1,3,3-Tetramethylbutyl peroxy-2-ethylhexanoate
CAS# 22288-43-3
Constituent 1
Method
- Target gene:
- Histidine operon
Species / strainopen allclose all
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98 and TA 100
- Additional strain / cell type characteristics:
- other: see below
- Species / strain / cell type:
- E. coli WP2 uvr A
- Additional strain / cell type characteristics:
- other: see below
- Metabolic activation:
- with and without
- Metabolic activation system:
- S9-mix
- Test concentrations with justification for top dose:
- Results of the dose rangefinding study were used to select doses tested in the mutagenicity assay. Doses tested with all tester strains in the presence and absence of S9 mix were 100, 333, 1000, 3330 and 5000 μg per plate.
Based on the toxicity observed in the presence of S9 mix in the first trial, the doses tested in the confirmatory assay were selected. Doses tested in the confirmatory assay were 10.0, 33.3, 100, 333, 500, 750, 1000, 2000 and 5000 μg per plate in the presence of S9 mix and 100, 333, 1000, 3330 and 5000 μg per plate in the absence of S9 mix. - Vehicle / solvent:
- Ethanol
Controls
- Untreated negative controls:
- yes
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- other: see below
- Details on test system and experimental conditions:
- METHOD OF APPLICATION: in agar (plate incorporation)
DURATION
- Preincubation period: not applicable
- Exposure duration: 51 ± 4 hours
SELECTION AGENT (mutation assays): histidine
NUMBER OF REPLICATIONS: triplicate
NUMBER OF CELLS EVALUATED: Revertant colonies were counted by automated colony counter or by hand
DETERMINATION OF CYTOTOXICITY
Condition of the bacterial background lawn was evaluated for evidence of cytotoxicity and test article precipitate. Evidence of cytotoxicity was scored relative to the vehicle control and recorded along with the revertant counts for that dose. - Evaluation criteria:
- Assay Evaluation Criteria
Once the criteria for a valid assay had been met, responses observed in the assay were evaluated as follows:
Tester Strains TA98, TA100, and WP2uvrA. For a test article to be considered positive, it had to produce at least a 2-fold increase in the mean revertants per plate of at least one of these tester strains over the mean revertants per plate of the appropriate vehicle control. This increase in the mean number of revertants per plate had to be accompanied by a dose response to increasing concentrations of the test article.
Tester Strains TA1535 and TA1537. For a test article to be considered positive, it had to produce at least a 3-fold increase in the mean revertants per plate of at least one of these tester strains over the mean revertants per plate of the appropriate vehicle control. This increase in the mean number of revertants per plate had to be accompanied by a dose response to increasing concentrations of the test article. - Statistics:
- None
Results and discussion
Test resultsopen allclose all
- Species / strain:
- S. typhimurium TA 100
- Metabolic activation:
- with
- Genotoxicity:
- positive
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Remarks:
- at 5000 µg/plate
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 100
- Metabolic activation:
- without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity
- Remarks:
- at 5000 µg/plate precipitation
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Species / strain:
- E. coli WP2 uvr A
- Metabolic activation:
- with
- Genotoxicity:
- positive
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Remarks:
- at 5000 µg/plate
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Species / strain:
- E. coli WP2 uvr A
- Metabolic activation:
- without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity
- Remarks:
- at 5000 µg/plate precipitation
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 98
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Remarks:
- + S9 mix: from 750 µg/plate, -S9-mix: 5000 µg/plate
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 1535
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Remarks:
- + S9 mix: from 750 µg/plate, -S9-mix: 5000 µg/plate
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not valid
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 1537
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Remarks:
- + S9 mix: from 750 µg/plate, -S9-mix: 5000 µg/plate
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Additional information on results:
- In the initial mutagenicity assay, Trial 24908-B1, no positive increases in the mean number of revertants per plate were observed with any of the tester strains in either the presence or absence of S9 mix. In this trial, a 2.2-fold increase was observed with tester strain WP2uvrA in the presence of S9 mix. However, this increase was not clearly dose-responsive, and therefore did not meet the criteria for a positive evaluation. In order to clarify this increase, the test article was re-tested with tester strain WP2uvrA in the presence of S9 mix in Trial 24908-D1. All data generated in Trial 24908-B1 were acceptable with the exception of tester strains TA98 and TA1537 in the presence of S9 mix, where only two non-toxic doses were observed. For this reason, the test article was re-tested with these tester strains in Trial 24908-D1.
Based on the toxicity observed in the presence of S9 mix in Trial 24908-B1 (which was not observed in the dose rangefinding study), the doses tested in the confirmatory assay were selected. Doses tested in the confirmatory assay were 10.0, 33.3, 100, 333, 500, 750, 1000, 2000 and 5000 μg per plate in the presence of S9 mix and 100, 333, 1000, 3330 and 5000 μg per plate in the absence of S9 mix.
In the confirmatory mutagenicity assay, Trial 24908-C1, all data were acceptable and a 3.0-fold positive increase was observed in the mean number of revertants per plate with tester strain WP2uvrA in the presence of S9 mix. No positive increases were observed with any other tester strains in the presence or absence of S9 mix. In this trial, a 1.8-fold increase was observed with tester strain TA100 in the presence of S9 mix. However, this increase did not meet the 2-fold criteria to be considered a positive response. In order to clarify this increase, the test article was re-tested with tester strain TA100 in the presence of S9 mix in Trial 24908-D1.
In the repeat mutagenicity assay, Trial 24908-D1, all data were acceptable positive increases were observed in the mean number of revertants per plate with tester strains TA100 (3.0-fold) and WP2uvrA (2.3-fold)in the presence of S9 mix. In addition, increases in the mean number of revertants per plate were observed with tester strain TA1537 in the presence of S9 mix, however, these increases were not clearly dose-related. In addition, all observed values were within the acceptable vehicle control range for this strain. The observed increases appear to be the result of a lower than routinely observed TA1537 mean vehicle control value and were not
considered to be biologically relevant. No positive increases were observed with tester strain TA98 in the presence of S9 mix.
All criteria for a valid study were met.
Applicant's summary and conclusion
- Conclusions:
- The results of the Salmonella-Escherichia coli/Mammalian-Microsome Reverse Mutation Assay with a Confirmatory Assay indicate that under the conditions of this study, the test article, 1,1,3,3-Tetramethylbutyl peroxy-2-ethylhexanoate, did cause positive increases in the mean number of revertants per plate with tester strains TA100 and WP2uvrA in the presence of S9 mix. No positive increases were observed with any other tester strain either in the presence or absence of microsomal enzymes prepared from Aroclor™-induced rat liver (S9).
- Executive summary:
The objective of this study was to evaluate the test article, 1,1,3,3-Tetramethylbutyl peroxy-2 - ethylhexanoate, for its ability to induce reverse mutations either in the presence or absence of mammalian microsomal enzymes at 1) the histidine locus in the genome of several strains of
Salmonella typhimurium and at 2) the tryptophan locus of Escherichia coli tester strain WP2uvrA.
The concentrations tested in the mutagenicity assay were selected based on the results of a dose rangefinding study using tester strains TA100 and WP2uvrA and ten doses of test article ranging from 6.67 to 5000 μg per plate, one plate per dose, both in the presence and absence of S9 mix.
The tester strains used in the mutagenicity assay were Salmonella typhimurium tester strains TA98, TA100, TA1535, and TA1537 and Escherichia coli tester strain WP2uvrA. The assay was conducted in both the presence and absence of S9 mix along with concurrent vehicle and positive controls using three plates per dose. The doses tested in the mutagenicity assay with all tester strains in both the presence and absence of S9 mix were 100, 333, 1000, 3330 and 5000 μg per plate. An independent confirmatory experiment was conducted with all tester strains at doses of 10.0, 33.3, 100, 333, 500, 750, 1000, 2000 and 5000 μg per plate in the presence of S9 mix and at doses of 100, 333, 1000, 3330 and 5000 μg per plate in the absence of S9 mix.
Results:
Dose range finding (trial A1):
Doses tested in the mutagenicity assay were selected based on the results of the dose rangefinding assay conducted on the test article using tester strains TA100 and WP2uvrA in both the presence and absence of S9 mix with one plate per dose. Ten doses of article ranging from 6.67 to 5000 µg per plate, were tested. No cytotoxicity was observed with either tester strain, in the presence or absence of S9 mix, as evidenced by no dose-related decreases in the number of revertants per plate and normal bacterial background lawns.Initial assay (trial B1):
In the initial mutagenicity assay, no positive increases in the mean number of revertants per plate were observed with any of the tester strains in either the presence or absence of S9 mix. In this trial, a 2.2-fold increase was observed with tester strain WP2uvrA in the presence of S9 mix. However, this increase was not clearly dose-responsive, and therefore did not meet the criteria for a positive evaluation.Confirmatory assay (trial C1):
all data were acceptable and a 3.0-fold positive increase was observed in the mean number of revertants per plate with tester strain WP2uvrA in the presence of S9 mix. No positive increases were observed with any other tester strains in the presence or absence of S9 mix. In this trial, a 1.8-fold increase was observed with tester strain TA100 in the presence of S9 mix. However, this increase did not meet the 2-fold criteria to be considered a positive response. In order to clarify this increase, the test article was re-tested with tester strain TA100 in the presence of S9 mix (trial D1).Repeat assay (trial D1):
All data were acceptable. Positive increases were observed in the mean number of revertants per plate with tester strains TA100 (3.0-fold) and WP2uvrA (2.3-fold)in the presence of S9 mix. In addition, increases in the mean number of revertants per plate were observed with tester strain TA1537 in the presence of S9 mix, however, these increases were not clearly dose-related. In addition, all observed values were within the acceptable vehicle control range for this strain. The observed increases appear to be the result of a lower than routinely observed TA1537 mean vehicle control value and were not considered to be biologically relevant. No positive increases were observed with tester strain TA98 in the presence of S9 mix.Conclusion:
The results of the Salmonella-Escherichia coli/Mammalian-Microsome Reverse Mutation Assay with a Confirmatory Assay indicate that under the conditions of this study, the test article, 1,1,3,3-Tetramethylbutyl peroxy-2-ethylhexanoate, did cause positive increases in the mean number of revertants per plate with tester strains TA100 and WP2uvrA in the presence of S9 mix. No positive increases were observed with any other tester strain either in the presence or absence of microsomal enzymes prepared from Aroclor™-induced rat liver (S9).
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