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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 207-074-5 | CAS number: 431-47-0
- 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
Short-term toxicity to fish
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to fish
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Data is from prediction model by US EPA
- Qualifier:
- according to guideline
- Guideline:
- other: Modeling database
- Principles of method if other than guideline:
- ECOSAR v1.00
- GLP compliance:
- no
- Specific details on test material used for the study:
- Name of test material: Methyl trifluoroacetate
Molecular formula: C3H3F3O2
Molecular weight: 128.05 g/mol
-Smiles notation : COC(=O)C(F)(F)F
- InChl (if other than submission substance): InChI=1S/C3H3F3O2/c1-8-2(7)3(4,5)6/h1H3
- Substance type: Organic
-Physical Appearance: Solid - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: Fish
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 96 h
- Key result
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 1 287.5 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mortality (fish)
- Conclusions:
- Based on the EPI Suite ECOSAR version 1.10 prediction model, the 96 hours LC50 was estimated to be 1287.5 mg/l on Fish for Methyl trifluoroacetate (CAS no.431-47-0) on the basis of mortality effect.
- Executive summary:
Using the EPI Suite ECOSAR version 1.11, the short term toxicity on fish was predicted for Methyl trifluoroacetate (CAS no.431-47-0) the effects observed in a static freshwater system. The lethal concentration LC50 value for the substance was estimated to be 1287.5 mg/l for fish for 96 hr exposure duration. Based on this lethal value it can be concluded that the Methyl trifluoroacetate (CAS no.431-47-0) can be considered to be non toxic to aquatic environment and thus it can be considered as not classified according to the CLP classification criteria.
Reference
Description of key information
Using prediction by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program suggest the LC50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of EPI suite, ECOSAR version 1.1, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 1287.5 mg/l for Methyl trifluoroacetate in 96 hrs.
Key value for chemical safety assessment
Fresh water fish
Fresh water fish
- Effect concentration:
- 1 287 mg/L
Additional information
Two studies including predicted data from validated tools and authorative database for short term fish endpoint of test chemical Methyl trifluoroacetate (Cas no. 431 -47 -0) log Kow as primary descriptor were summarised as follows:
Using prediction by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program suggest the LC50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of EPI suite, ECOSAR version 1.1, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be1287.5 mg/lfor Methyl trifluoroacetate in 96 hrs.
According to aquatic toxicity module i.e ACD/LabsI-Lab 2.0; Algorithm Version: v5.0.0.184 the lethal concentration (LC50) of Methyl trifluoroacetate was predicted to be 720 mg/l on fish species Fathead minnow (Pimephales promelas).
The Reliability Index (RI) of the prediction was reported to be 0.51(As per model substance have moderate and high reliability if RI > 0.5). Thus reported RII value indicates it has moderate reliability.
Thus based on the all available effect concentrations which is in the range of 720 mg/l to 1287 mg/l for target and read across chemicals which come to the conclusion that test substance Methyl trifluoroacetate (Cas no. 431-47-0) was likely to be non-toxic to aquatic invertebrates as it not exceed the classification criteria, hence it can be considered to be not classified as per the CLP regulation
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.