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Diss Factsheets
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EC number: 231-388-1 | CAS number: 7526-26-3
- 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
- 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
Flash point
Administrative data
Link to relevant study record(s)
- Endpoint:
- flash point, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 18 MAY 2022
- 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
- Justification for type of information:
- 1. SOFTWARE
T.E.S.T QSAR v5.1
2. MODEL (incl. version number)
Consensus
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CP(=O)(Oc1ccccc1)Oc1ccccc1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the QMRF attached under 'Attached justification'.
5. APPLICABILITY DOMAIN
Please refer to the QPRF attached under 'Attached justification'. - Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs Chapter R.6
- Version / remarks:
- May 2008
- Principles of method if other than guideline:
- Software tool(s) used including version: T.E.S.T QSAR v5.1
- Model(s) used: Consensus
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' - Specific details on test material used for the study:
- CP(=O)(Oc1ccccc1)Oc1ccccc1
- Flash point:
- 160.54 °C
- Remarks on result:
- other: no pressure details given in the QSAR calculation
- Conclusions:
- The flash point of the test item was calculated to be 160.54 °C using the US- EPA software T.E.S.T consensus method.
- Executive summary:
The flash point of the test item was calculated to be 160.54 °C using the US- EPA software T.E.S.T consensus method. The prediction was in the applicability domain of the model.
- Endpoint:
- flash point of flammable liquids
- Remarks:
- low melting point solid (melting point: 35.6°C)
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Principles of method if other than guideline:
- The result is mentioned in online chemical database website. However, it lacks detail of method.
- Flash point:
- 110 °C
- Remarks on result:
- other: No details of pressure
- Interpretation of results:
- other: EU GHS criteria not
- Conclusions:
- The flash point of test item determined to be 110 °C
- Executive summary:
Based on chemical database website, flash point of test item determinded to be 110 °C .
- Endpoint:
- flash point of flammable liquids
- Remarks:
- low melting point solid (melting point: 35.6°C)
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 2021
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Principles of method if other than guideline:
- The result is mentioned in SDS. However, it lacks detail of method.
- Flash point:
- 110 °C
- Remarks on result:
- other: No details of pressure
- Interpretation of results:
- other: EU GHS criteria not met
- Conclusions:
- The flash point of test item determined to be 110 °C
- Executive summary:
Based on data in SDS provided from the company, flash point of test item determinded to be 110 °C .
Referenceopen allclose all
Method | Predicted value °C |
Hierarchical clustering | 126.52 |
Group contribution | 157.61 |
Nearest neighbor | 197.50 |
In the consensus method, the predicted value is simply the average value from the other QSAR methodologies(above table). The predicted flash point is calculated to be 160.54 °C.
Description of key information
There are 3 different results for flash point. SDS data that was provided from the company shows 110 °C. Online published data also shows flash point of 110°C. QSAR calculation estimated 160.54 °C using the US- EPA software T.E.S.T consensus method. In QSAR data flash point of experimental value was indicated as 110°C. Thus, it concludes flash point of test item is 110°C. According to GHS criteria test item is not considered as flammable.
Key value for chemical safety assessment
- Flash point at 101 325 Pa:
- 110 °C
Additional information
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.