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Diss Factsheets
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EC number: 207-005-9 | CAS number: 421-50-1
- 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
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in chemico
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 26 July 2016 - 02 August 2016
- 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: Nexus 2.1.1
2. MODEL: Derek Nexus: 5.0.2
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
- Smiles: CC(=O)C(F)(F)F
- Average Mol Mass: 112.05
- Exact Mol Mass: 112.0136
- Log Kp: -2.98
- Log P: 0.6
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL: See QMRF attached
5. APPLICABILITY DOMAIN: Not specified in the prediction report
6. ADEQUACY OF THE RESULT
The assessment of 1,1,1-trifluoroacetone using DEREK NEXUS could not predict the skin sensitizer potential of the substance and therefore the assessment was considered to be inconclusive due to the absence of fluorated substances in its database.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Derek Nexus is a proprietary, rule-based expert system for the prediction of toxicity.
- GLP compliance:
- no
- Justification for non-LLNA method:
- This information was obtained according to requirements for skin sensitization of Section 8.3 of Annex VII of Regulation (EC) No 1907/2006 as amended in Commission Regulation (EU) 2016/1688 of 20 September 2016 and the relevant classification and/or risk assessment obligations.
Test material
- Reference substance name:
- 1,1,1-trifluoroacetone
- EC Number:
- 207-005-9
- EC Name:
- 1,1,1-trifluoroacetone
- Cas Number:
- 421-50-1
- Molecular formula:
- C3H3F3O
- IUPAC Name:
- 1,1,1-trifluoropropan-2-one
Constituent 1
Results and discussion
In vitro / in chemico
Results
- Parameter:
- other: DEREK NEXUS 5.0.2.
- Vehicle controls validity:
- not applicable
- Negative controls validity:
- not applicable
- Positive controls validity:
- not applicable
- Remarks on result:
- other: DEREK NEXUS did not yield any alerts for skin sensitization.
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- DEREK NEXUS version 5.0.2 did not yield any alerts for skin sensitization for the test item. 1,1,1-trifluoroacetone is predicted to be not sensitizing to the skin.
- Executive summary:
DEREK NEXUS 5.0.2. software was used to predict the skin sensitization potential of 1,1,1-trifluoroacetone. DEREK NEXUS version 5.0.2 did not yield any alerts for skin sensitization for the test item.
1,1,1-trifluoroacetone is predicted to be not sensitizing to the skin.
However, the assessment using DEREK Nexus could not predict the skin sensitizer potential of the substance due to the absence of fluorated substances in its database. Therefore the assessment was considered to be inconclusive.
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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