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EC number: 201-781-2 | CAS number: 87-89-8
- 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 (Mutagenic effects - bacterial): QSAR; Bacterial reverse mutation assay. Negative. Reliability = 2.
In Vitro (Clastogenic effects - mammalian): QSAR; Chromosome aberrations. Negative. Reliability = 2.
Link to relevant study records
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Times v.2.27.19.13 in QSAR Toolbox
Toolbox prediction report is attached in IUCLID. - GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES: OC1C{P-}(O)C{P-}(O)C{P-}(O)C{P+}(O)C{P-}1O
- Key result
- Species / strain:
- S. typhimurium TA 102
- Metabolic activation:
- with
- Genotoxicity:
- negative
- Key result
- Species / strain:
- S. typhimurium TA 100
- Metabolic activation:
- with
- Genotoxicity:
- negative
- Key result
- Species / strain:
- S. typhimurium TA 98
- Metabolic activation:
- with
- Genotoxicity:
- negative
- Key result
- Species / strain:
- S. typhimurium TA 1537
- Metabolic activation:
- with
- Genotoxicity:
- negative
- Key result
- Species / strain:
- S. typhimurium TA 1535
- Metabolic activation:
- with
- Genotoxicity:
- negative
- Remarks on result:
- no mutagenic potential (based on QSAR/QSPR prediction)
- Conclusions:
- Negative with metabolic activation
- Executive summary:
The Times model for in vitro bacterial cell mutagenicity was used within the QSAR Toolbox. The prediction was negative with activation. Additional supporting documentation is provided in the prediction report attached in IUCLID.
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Times v.2.27.19.13 in QSAR Toolbox
Toolbox prediction report is attached in IUCLID. - GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES: OC1C{P-}(O)C{P-}(O)C{P-}(O)C{P+}(O)C{P-}1O
- Key result
- Species / strain:
- S. typhimurium TA 102
- Metabolic activation:
- without
- Genotoxicity:
- negative
- Key result
- Species / strain:
- S. typhimurium TA 100
- Metabolic activation:
- without
- Genotoxicity:
- negative
- Key result
- Species / strain:
- S. typhimurium TA 98
- Metabolic activation:
- without
- Genotoxicity:
- negative
- Key result
- Species / strain:
- S. typhimurium TA 1537
- Metabolic activation:
- without
- Genotoxicity:
- negative
- Key result
- Species / strain:
- S. typhimurium TA 1535
- Metabolic activation:
- without
- Genotoxicity:
- negative
- Remarks on result:
- no mutagenic potential (based on QSAR/QSPR prediction)
- Conclusions:
- Negative without metabolic activation
- Executive summary:
The Times model for in vitro bacterial cell mutagenicity was used within the QSAR Toolbox. The prediction was negative without activation. Additional supporting documentation is provided in the prediction report attached in IUCLID.
- Endpoint:
- in vitro cytogenicity / chromosome aberration study in mammalian cells
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Times v.2.27.19.13 in QSAR Toolbox
Toolbox prediction report is attached in IUCLID. - GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES: OC1C{P-}(O)C{P-}(O)C{P-}(O)C{P+}(O)C{P-}1O
- Key result
- Species / strain:
- other: CHO and CHL cells
- Metabolic activation:
- with
- Genotoxicity:
- negative
- Remarks on result:
- no mutagenic potential (based on QSAR/QSPR prediction)
- Conclusions:
- Negative with metabolic activation
- Executive summary:
The Times model for in vitro chromosome aberrations was used within the QSAR Toolbox. The prediction was negative with activation. Additional supporting documentation is provided in the prediction report attached in IUCLID.
- Endpoint:
- in vitro cytogenicity / chromosome aberration study in mammalian cells
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Times v.2.27.19.13 in QSAR Toolbox
Toolbox prediction report is attached in IUCLID. - GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES: OC1C{P-}(O)C{P-}(O)C{P-}(O)C{P+}(O)C{P-}1O
- Key result
- Species / strain:
- other: CHO and CHL cells
- Metabolic activation:
- without
- Genotoxicity:
- negative
- Remarks on result:
- no mutagenic potential (based on QSAR/QSPR prediction)
- Conclusions:
- Negative without metabolic activation
- Executive summary:
The Times model for in vitro chromosome aberrations was used within the QSAR Toolbox. The prediction was negative without activation. Additional supporting documentation is provided in the prediction report attached in IUCLID.
Referenceopen allclose all
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Genetic toxicity in vivo
Description of key information
In Vivo (Clastogenic effects - mammalian): QSAR; in vivo mouse micronucleus study; Negative. Reliability = 2.
Link to relevant study records
- Endpoint:
- genetic toxicity in vivo, other
- Remarks:
- in vivo micronucleus QSAR
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Times v.2.27.19.13 in QSAR Toolbox
Toolbox prediction report is attached in IUCLID - GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES: OC1C{P-}(O)C{P-}(O)C{P-}(O)C{P+}(O)C{P-}1O
- Key result
- Genotoxicity:
- negative
- Remarks:
- Mammalian erythrocytes and/or peripheral blood
- Remarks on result:
- other: no mutagenic potential (based on QSAR/QSPR prediction)
- Conclusions:
- Negative
- Executive summary:
The Times model for in vivo micronucleus assay was used within the QSAR Toolbox. The prediction was negative. Additional supporting documentation is provided in the prediction report attached in IUCLID.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Additional information
Qualitative structure activity relationships (QSAR), documented in QMRF/QPRF, predict no alerts to indicate likely mutagenic potential. The test substance is expected to be non-mutagenic in Ames with or without metabolic activation, negative for chromosomal aberrations with or without activation, and negative for in vivo micronuclei.
Justification for classification or non-classification
The test substance is not predicted to have the potential to be mutagenic or clastogenic in vitro or in vivo based on assay-specific model predictions. Additionally, published data reports that the test substance is a tumour growth inhibitor (lung and liver), supporting the prediction that it is not genotoxic. Therefore, the substance does not need to be classified for mutagenicity according to EU Classification, Labelling 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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