Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 217-121-1 | CAS number: 1745-89-7
- 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
- Remarks:
- Type of genotoxicity: gene mutation
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Experimental Starting date: 4 June 2014; Experimental Completion date: 24 June 2014.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP Guideline study.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- 4,4'-isopropylidenebis[2-allylphenol]
- EC Number:
- 217-121-1
- EC Name:
- 4,4'-isopropylidenebis[2-allylphenol]
- Cas Number:
- 1745-89-7
- Molecular formula:
- C21H24O2
- IUPAC Name:
- 4-{1-[4-hydroxy-3-(prop-2-en-1-yl)phenyl]propyl}-2-(prop-2-en-1-yl)phenol
- Test material form:
- liquid: viscous
- Details on test material:
- - Test Substance I.D.: 4,4’-isopropylidenebis[2-allylphenol] (TK 11907)
- Test Substance Batch No.: AG16A55043
- Test Substance Purity: 89% (provided by Sponsor)
- BioReliance Study No.: AD90LY.503REACH.BTL
- Test Substance Description: Clear colorless viscous liquid
- Storage Conditions: 2 to 8ºC, protected from light
- Test Substance Receipt/Login Date: 28 May 2014
Constituent 1
Method
- Target gene:
- Reverse mutations at selected loci of several strains of Salmonella typhimurium and at the tryptophan locus of Escherichia coli strain WP2 uvrA.
Tester strains TA98 and TA1537 are reverted from histidine dependence (auxotrophy) to histidine independence (prototrophy) by frameshift mutagens. Tester strain TA1535 is reverted by mutagens that cause basepair substitutions. Tester strain TA100 is reverted by mutagens that cause both frameshift and basepair substitution mutations. Specificity of the reversion mechanism in E. coli is sensitive to basepair substitution mutations, rather than frameshift mutations
Species / strain
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98, TA 100 and E. coli WP2
- Details on mammalian cell type (if applicable):
- Not applicable
- Additional strain / cell type characteristics:
- not applicable
- Metabolic activation:
- with and without
- Metabolic activation system:
- Aroclor 1254-induced rat liver S9.
- Test concentrations with justification for top dose:
- - In the initial toxicity-mutation assay, the dose levels tested were: 1.5, 5.0, 15, 50, 150, 500, 1500 and 5000 μg per plate.
- In the confirmatory mutagenicity assay, the dose levels tested were: 1.5, 5.0, 15, 50, 150, 500 and 1500 μg per plate with tester strains TA98, TA100 and TA1535 and 15, 50, 150, 500, 1500 and 5000 μg per plate with tester strains TA1537 and WP2 uvrA. - Vehicle / solvent:
- Dimethyl sulfoxide (DMSO) was selected as the solvent of choice based on the solubility of the test substance and compatibility with the target cells. The test substance formed a clear solution in DMSO at approximately 500 mg/mL, the maximum concentration tested in the solubility test conducted at BioReliance.
The vehicle used to deliver TK 11907 to the test system was DMSO (CAS No. 67-68-5, Lot No. SHBD1324V, Purity: 99.98%, Exp. Date: May 2017), obtained from Sigma-Aldrich.
Controlsopen allclose all
- Untreated negative controls:
- yes
- Negative solvent / vehicle controls:
- yes
- Remarks:
- DMSO (Dimethyl sulfoxide)
- True negative controls:
- no
- Positive controls:
- yes
- Remarks:
- At 1 (μg/plate) for TA98 and TA1535; at 2 (μg/plate) for TA100 and TA1537 and at 15 (μg/plate) for WP2uvrA.
- Positive control substance:
- other: 2-aminoanthracene
- Remarks:
- with metabolic activation
- Untreated negative controls:
- yes
- Negative solvent / vehicle controls:
- yes
- Remarks:
- DMSO (Dimethyl sulfoxide)
- True negative controls:
- no
- Positive controls:
- yes
- Remarks:
- At 1,000 (μg/plate) for WP2 uvrA
- Positive control substance:
- methylmethanesulfonate
- Remarks:
- without metabolic activation
- Untreated negative controls:
- yes
- Negative solvent / vehicle controls:
- yes
- Remarks:
- DMSO (Dimethyl sulfoxide)
- True negative controls:
- no
- Positive controls:
- yes
- Remarks:
- At 1 (μg/plate) for TA 98
- Positive control substance:
- 2-nitrofluorene
- Remarks:
- without metabolic activation
- Untreated negative controls:
- yes
- Negative solvent / vehicle controls:
- yes
- Remarks:
- DMSO (Dimethyl sulfoxide)
- True negative controls:
- no
- Positive controls:
- yes
- Remarks:
- At 1 (μg/plate) for TA 100 and TA 1535
- Positive control substance:
- sodium azide
- Remarks:
- without metabolic activation
- Untreated negative controls:
- yes
- Negative solvent / vehicle controls:
- yes
- Remarks:
- DMSO (Dimethyl sulfoxide)
- True negative controls:
- no
- Positive controls:
- yes
- Remarks:
- At 75 (μg/plate) for TA 1537
- Positive control substance:
- 9-aminoacridine
- Remarks:
- without metabolic activation
- Details on test system and experimental conditions:
- METHOD OF APPLICATION: in medium
into a vessel, containing 30 to 50 mL of culture medium. To assure that cultures were harvested in late log phase, the length of incubation was controlled and monitored. Following inoculation, each flask was placed in a shaker/incubator programmed to begin shaking at 125 to 175 rpm and incubating at 37±2°C for approximately 12 hours before the anticipated time of harvest. Each culture was monitored spectrophotometrically for turbidity and was harvested at a percent transmittance yielding a titer of greater than or equal to 0.3x109 cells per milliliter. The actual titers were determined by viable count assays on nutrient agar plates. - Evaluation criteria:
- For each replicate plating, the mean and standard deviation of the number of revertants per plate were calculated and are reported.
For the test substance to be evaluated positive, it must cause a dose-related increase in the mean revertants per plate of at least one tester strain over a minimum of two increasing concentrations of test substance.
Data sets for tester strains TA1535 and TA1537 were judged positive if the increase in mean revertants at the peak of the dose response was greater than or equal to 3.0-times the mean vehicle control value. Data sets for tester strains TA98, TA100 and WP2 uvrA were judged equal to
2.0-times the mean vehicle control value.
An equivocal response is a biologically relevant increase in a revertant count that partially meets the criteria for evaluation as positive. This could be a dose-responsive increase that does not achieve the respective threshold cited above or a non-dose responsive increase that is equal to or greater than the respective threshold cited. A response was evaluated as negative, if it was neither positive nor equivocal. - Statistics:
- The primary computer or electronic systems used for the collection of data or analysis included but were not limited to the following:
Sorcerer Colony Counter and Ames Study Manager (Perceptive Instruments), LIMS System (BioReliance), Excel 2007 (Microsoft Corporation), BRIQS (BioReliance) and Kaye Lab Watch Monitoring System (Kaye GE).
Results and discussion
Test results
- Species / strain:
- S. typhimurium TA 1535, TA 1537, TA 98, TA 100 and E. coli WP2
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Remarks:
- In B2 (confirmatory mutagenicity assay) Precipitate was observed beginning at 500 or 1500 μg per plate with most test conditions. Toxicity was observed beginning at concentrations from 150 to 5000 μg per plate.
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Remarks on result:
- other: all strains/cell types tested
- Remarks:
- Migrated from field 'Test system'.
Any other information on results incl. tables
RESULTS AND DISCUSSION
Solubility Test
DMSO was selected as the solvent of choice based on the solubility of the test substance and compatibility with the target cells. The test substance formed a clear solution in DMSO at approximately 500 mg/mL, the maximum concentration tested in the solubility test conducted at BioReliance.
Sterility Results
No contaminant colonies were observed on the sterility plates for the vehicle control, the test substance dilutions or the S9 and Sham mixes.
Tester starin titer results:
Experiment | Tester strain | ||||
Experiment | TA 98 | TA 100 | TA 1535 | TA 1537 | WP2 uvrA |
Experiment | Titer Value (x 109 cells per mL) | ||||
B1 | 1.1 | 1.3 | 2.0 | 2.1 | 2.3 |
B2 | 2.3 | 1.1 | 8.7 | 2.9 | 4.0 |
Initial Toxicity-Mutation Assay
The results of the initial toxicity-mutation assay were generated in Experiment B1.
In Experiment B1 (Initial Toxicity-Mutation Assay), the maximum dose tested was 5000 μg per plate; this dose was achieved using a concentration of 100 mg/mL and a 50 μL plating aliquot. The dose levels tested were 1.5, 5.0, 15, 50, 150, 500, 1500 and 5000 μg per plate. No positive mutagenic responses were observed with any of the tester strains in either the presence or absence of S9 activation. Precipitate was observed beginning at 1500 or at 5000 μg per plate. Toxicity was observed beginning at concentrations from 50 to 5000 μg per plate. Based on the findings of the initial toxicity-mutation assay, the maximum doses plated in the confirmatory mutagenicity assay were 1500 μg per plate with tester strains TA98, TA100 and TA1535 and 5000 μg per plate with tester strains TA1537 and WP2 uvrA.
Confirmatory Mutagenicity Assay
The results of the confirmatory mutagenicity assay are presented were generated in Experiment B2.
In Experiment B2 (Confirmatory Mutagenicity Assay), no positive mutagenic responses were observed with any of the tester strains in either the presence or absence of S9 activation. The dose levels tested were 1.5, 5.0, 15, 50, 150, 500 and 1500 μg per plate with tester strains TA98, TA100 and TA1535 and 15, 50, 150, 500, 1500 and 5000 μg per plate with tester strains TA1537 and WP2 uvrA. Precipitate was observed beginning at 500 or 1500 μg per plate with most test conditions. Toxicity was observed beginning at concentrations from 150 to 5000 μg per plate.
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information):
negative With and without metabolic activation.
All criteria for a valid study were met as described in the protocol. The results of the Bacterial Reverse Mutation Assay indicate that, under the conditions of this study, TK 11907 did not cause a positive mutagenic response with any of the tester strains in either the presence or absence of Aroclor-induced rat liver S9. - Executive summary:
The purpose of this study was to evaluate the mutagenic potential of the test substance by measuring its ability to induce reverse mutations at selected loci of several strains of Salmonella typhimurium and at the tryptophan locus of Escherichia coli strain WP2 uvrA in the presence and absence of an exogenous metabolic activation system.
The test substance, 4,4’-isopropylidenebis[2-allylphenol] (TK 11907), hereafter referred to as TK 11907, was tested in the Bacterial Reverse Mutation Assay using Salmonella typhimurium tester strains TA98, TA100, TA1535 and TA1537 and Escherichia coli tester strain WP2 uvrA in the presence and absence of Aroclor-induced rat liver S9. The assay was performed in two phases, using the plate incorporation method. The first phase, the initial toxicity-mutation assay, was used to establish the dose-range for the confirmatory mutagenicity assay and to provide a preliminary mutagenicity evaluation. The second phase, the confirmatory mutagenicity assay, was used to evaluate and confirm the mutagenic potential of the test substance.
Dimethyl sulfoxide (DMSO) was selected as the solvent of choice based on the solubility of the test substance and compatibility with the target cells. The test substance formed a clear solution in DMSO at approximately 500 mg/mL, the maximum concentration tested in the solubility test conducted at BioReliance.
In the initial toxicity-mutation assay, the maximum dose tested was 5000 μg per plate; this dose was achieved using a concentration of 100 mg/mL and a 50 μL plating aliquot. The dose levels tested were 1.5, 5.0, 15, 50, 150, 500, 1500 and 5000 μg per plate. No positive mutagenic responses were observed with any of the tester strains in either the presence or absence of S9 activation. Precipitate was observed beginning at 1500 or at 5000 μg per plate. Toxicity was observed beginning at concentrations from 50 to 5000 μg per plate. Based on the findings of the initial toxicity-mutation assay, the maximum doses plated in the confirmatory mutagenicity assay were 1500 μg per plate with tester strains TA98, TA100 and TA1535 and 5000 μg per plate with tester strains TA1537 and WP2 uvrA.
In the confirmatory mutagenicity assay, no positive mutagenic responses were observed with any of the tester strains in either the presence or absence of S9 activation. The dose levels tested were 1.5, 5.0, 15, 50, 150, 500 and 1500 μg per plate with tester strains TA98, TA100 and TA1535 and 15, 50, 150, 500, 1500 and 5000 μg per plate with tester strains TA1537 and WP2 uvrA. Precipitate was observed beginning at 500 or 1500 μg per plate with most test conditions. Toxicity was observed beginning at concentrations from 150 to 5000 μg per plate.
Under the conditions of this study, test substance TK 11907 was concluded to be negative in the Bacterial Reverse Mutation Assay.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.