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EC number: 200-400-7 | CAS number: 58-86-6
- 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
Endpoint summary
Administrative data
Key value for chemical safety assessment
Genetic toxicity in vitro
Description of key information
In vitro genotoxicity (bacterial cells): Negative based on QSAR
Link to relevant study records
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- The scientific validity of the (Q)SAR model has been established in accordance with the OECD Principles for (Q)SAR Model Validation.
- Justification for type of information:
- QSAR prediction
- Principles of method if other than guideline:
- OECD Toolbox v2.3
Toolbox prediction report is attached in IUCLID - GLP compliance:
- not specified
- Type of assay:
- bacterial reverse mutation assay
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98 and TA 100
- Metabolic activation:
- without
- Species / strain:
- S. typhimurium TA 1535, TA 1537, TA 98 and TA 100
- Metabolic activation:
- without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- not determined
- Conclusions:
- The prediction without metabolic activation was negative.
- Executive summary:
The TIMES model for Ames mutagenicity was used within the OECD Toolbox v2.3. The prediction without metabolic activation was negative. Additional supporting documentation is provided in the attached prediction report.
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- The scientific validity of the (Q)SAR model has been established in accordance with the OECD Principles for (Q)SAR Model Validation.
- Justification for type of information:
- QSAR prediction
- Principles of method if other than guideline:
- OECD Toolbox v2.3
Toolbox prediction report is attached in IUCLID - GLP compliance:
- not specified
- Type of assay:
- bacterial reverse mutation assay
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98 and TA 100
- Metabolic activation:
- with
- Species / strain:
- S. typhimurium TA 1535, TA 1537, TA 98 and TA 100
- Metabolic activation:
- with
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- not determined
- Conclusions:
- The prediction with metabolic activation was negative.
- Executive summary:
The TIMES model for Ames mutagenicity was used within the OECD Toolbox v2.3. The prediction with metabolic activation was negative. Additional supporting documentation is provided in the attached prediction report.
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- The scientific validity of the (Q)SAR model has been established in accordance with the OECD Principles for (Q)SAR Model Validation.
- Justification for type of information:
- QSAR prediction
- Principles of method if other than guideline:
- OECD Toolbox v3
Toolbox prediction report is attached in IUCLID - GLP compliance:
- not specified
- Type of assay:
- bacterial reverse mutation assay
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98 and TA 100
- Metabolic activation:
- without
- Species / strain:
- S. typhimurium TA 1535, TA 1537, TA 98 and TA 100
- Metabolic activation:
- without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- not determined
- Conclusions:
- Substances were subcategorised on the basis of common MOA. Data was taken for all strains without metabolic activation. The read-across prediction was negative.
- Executive summary:
The OECD Toolbox v3 ws used to undertake an endpoint specific grouping for the Ames endpoint. Substances were subcategorised on the basis of common MOA. Data was taken for all strains without metabolic activation. The read-across prediction was negative. Additional supporting documentation is provided in the attached prediction report.
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- The scientific validity of the (Q)SAR model has been established in accordance with the OECD Principles for (Q)SAR Model Validation.
- Justification for type of information:
- QSAR prediction
- Principles of method if other than guideline:
- OECD Toolbox v3
Toolbox prediction report is attached in IUCLID - GLP compliance:
- not specified
- Type of assay:
- bacterial reverse mutation assay
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98 and TA 100
- Metabolic activation:
- with
- Species / strain:
- S. typhimurium TA 1535, TA 1537, TA 98 and TA 100
- Metabolic activation:
- with
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- not determined
- Conclusions:
- Substances were subcategorised on the basis of common MOA. Data was taken for all strains with activation. The read-across prediction was negative.
- Executive summary:
The OECD Toolbox v3 ws used to undertake an endpoint specific grouping for the Ames endpoint. Substances were subcategorised on the basis of common MOA. Data was taken for all strains with activation. The read-across prediction was negative. Additional supporting documentation is provided in the attached prediction report.
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- The scientific validity of the (Q)SAR model has been established in accordance with the OECD Principles for (Q)SAR Model Validation.
- Justification for type of information:
- QSAR prediction
- Principles of method if other than guideline:
- OECD Toolbox v3
Toolbox prediction report is attached in IUCLID - GLP compliance:
- not specified
- Type of assay:
- bacterial reverse mutation assay
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98 and TA 100
- Metabolic activation:
- with and without
- Species / strain:
- S. typhimurium TA 1535, TA 1537, TA 98 and TA 100
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- not determined
- Conclusions:
- Substances were subcategorised on the basis of common MOA. Data was taken for all strains with and without activation. The read-across prediction was negative.
- Executive summary:
The OECD Toolbox v3 ws used to undertake an endpoint specific grouping for the Ames endpoint. Substances were subcategorised on the basis of common MOA. Data was taken for all strains with and without activation. The read-across prediction was negative. Additional supporting documentation is provided in the attached prediction report.
Referenceopen allclose all
Estimation
method: (Q)SAR prediction
In domain
Estimation
method: (Q)SAR prediction
In domain
The
prediction was based on dataset comprised from the following
descriptors: "Gene mutation"
Estimation method: Takes maximal value from the 5 nearest neighbours
The
prediction was based on dataset comprised from the following
descriptors: "Gene mutation"
Estimation method: Takes maximal value from the 5 nearest neighbours
The
prediction was based on dataset comprised from the following
descriptors: "Gene mutation"
Estimation method: Takes maximal value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
("a"
and ("b"
and "c" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Alcohol AND Carbohydrate/
Monosaccharide AND Dihydroxyl group AND Ether, cyclic AND Hemiacetal AND
Saturated heterocyclic fragment AND Tetrahydropyran by Organic
functional groups
Domain
logical expression index: "b"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -7.37
Domain
logical expression index: "c"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= -2.88
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Genetic toxicity in vivo
Description of key information
Data from a higher tier in vivo 2-year carcinogenicity study in rats was available. No tumours were observed in this carcinogenicity assay, therefore the test substance is not a genotoxic mutagen or a carcinogen.
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Additional information
The test substance was evaluated by a range of non-testing approach utilising both the grouping capabilities within the OECD Toolbox as well as TIMES, an expert system. A read-across prediction was derived on Ames data both with and without metabolic activation. A prediction was also derived based on overall Ames result outcomes. Finally, predictions were derived using TIMES with and without metabolic activation. On the basis of these 5 predictions, the results were consistent demonstrating that the test substance was negative for Ames. The absence of alerting groups for the test substance was effectively confirmed by the QSAR and read-across predictions derived.
Justification for classification or non-classification
The test substance is expected to be negative for genotoxicity in bacterial cells and did not produce tumours in a carcinogenicity study in rats. Therefore, no classification is required for genetic toxicity according to EU Directive 67/548/EEC and EU Classification and Packaging of Substances and Mixtures (CLP) Regulation (EC) No. 1272/2008.
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.
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