MSDS: 1-Octyl-3-Methylimidazolium Trifluoroacetate

Identification

Chemical Name: 1-Octyl-3-methylimidazolium trifluoroacetate
Synonyms: [OMIM][TFA], 1-Octyl-3-methylimidazolium acetate, Imidazolium ionic liquid
CAS Number: 638961-47-6
Recommended Use: Solvent, research
Supplier Details: Name, address, emergency contact provided by manufacturer
Emergency Telephone: Provided by supplier or local emergency services

Hazard Identification

Classification: Eye irritation, Skin irritation, Specific target organ toxicity (single exposure), Acute aquatic toxicity
Signal Word: Warning
Hazard Statements: Causes serious eye irritation. May cause skin irritation. Harmful if swallowed. Toxic to aquatic life.
Precautionary Statements: Wear protective gloves, protective clothing, and eye protection. Avoid release into the environment. Wash skin thoroughly after handling. Do not eat, drink, or smoke during use.
Pictograms: Exclamation mark, Aquatic environment hazard

Composition / Information on Ingredients

Chemical Identity: 1-Octyl-3-methylimidazolium trifluoroacetate
Concentration: ≥ 98%
Other Ingredients: No significant impurities impacting classification
CAS Number: 638961-47-6
EC Number: Not assigned
Molecular Formula: C14H23F3N2O2
Molecular Weight: 324.34 g/mol

First Aid Measures

Inhalation: Move person to fresh air. Provide oxygen if breathing is difficult. Seek medical attention if symptoms persist.
Skin Contact: Remove contaminated clothing immediately. Wash skin thoroughly with soap and water. Consult physician for persistent irritation.
Eye Contact: Rinse cautiously with water for 15 minutes. Remove contact lenses if present and easy to do. Continue rinsing.
Ingestion: Rinse mouth with water. Do not induce vomiting unless directed by medical personnel. Seek immediate medical attention.
Important Symptoms: Eye redness, skin redness, gastrointestinal discomfort, irritation to mucous membranes
Advice for Medical Responders: Treat symptomatically

Fire-Fighting Measures

Suitable Extinguishing Media: Water spray, foam, dry chemical, carbon dioxide
Unsuitable Media: Strong water jets
Special Hazards: May generate toxic and irritating fumes including carbon oxides, nitrogen oxides, hydrogen fluoride during combustion
Protective Equipment: Firefighters should wear full protective gear, self-contained breathing apparatus
Further Advice: Containers may explode in the heat of a fire. Cool containers with water spray

Accidental Release Measures

Personal Precautions: Wear chemical-resistant gloves, safety goggles, protective clothing. Ensure adequate ventilation.
Environmental Precautions: Avoid release to sewers, drains, and natural water bodies.
Methods for Clean-Up: Soak up with inert absorbent material such as sand or vermiculite. Collect in tightly closed containers for disposal.
Decontamination Methods: Wash area with water and mild detergent. Ventilate area and monitor for vapors

Handling and Storage

Precautions for Handling: Avoid contact with eyes, skin, and clothing. Do not breathe vapor or mist. Use only in well-ventilated areas. Practice good hygiene.
Storage Conditions: Store tightly sealed in a cool, dry, well-ventilated area. Keep away from heat, sparks, open flames. Store in original container.
Incompatible Materials: Strong oxidizing agents, strong alkalis, strong acids
Further Advice: Prevent static discharge. Ground and bond containers

Exposure Controls and Personal Protection

Exposure Limits: No occupational exposure limits established for this compound
Engineering Controls: Use local exhaust ventilation or work in fume hood. Safety showers and eyewash stations should be readily available
Personal Protective Equipment: Chemical-resistant gloves (nitrile, neoprene), safety goggles or face shield, lab coat, chemical-resistant apron, appropriate respiratory protection if ventilation is insufficient
Work Hygiene: Wash hands before breaks, after handling, and at end of workday. Remove contaminated clothing before leaving work area

Physical and Chemical Properties

Appearance: Clear to pale yellow liquid
Odor: Mild, faintly aromatic
Odor Threshold: Data not available
pH: 5.5-7.5 (10% solution in water)
Melting Point: –11 °C
Boiling Point: Not determined (decomposes)
Flash Point: > 100 °C
Evaporation Rate: Data not available
Flammability: Not easily flammable
Upper/Lower Flammability Limits: Data not available
Vapor Pressure: Negligible at room temperature
Vapor Density: Not determined
Relative Density: 1.14 – 1.18 g/cm³
Solubility: Miscible with water, organic solvents
Partition Coefficient (log Kow): Data not available
Autoignition Temperature: Not determined
Decomposition Temperature: Data not available
Viscosity: Higher than water

Stability and Reactivity

Chemical Stability: Stable under recommended storage and handling conditions
Reactivity: Not reactive under normal conditions
Possibility of Hazardous Reactions: No hazardous polymerization
Incompatible Materials: Strong oxidizers, acids and bases may cause degradation
Hazardous Decomposition: Carbon oxides, nitrogen oxides, corrosive hydrogen fluoride, imidazole compounds possible when heated or burned

Toxicological Information

Acute Toxicity: Oral LD50 estimated at >2000 mg/kg (rat, calculated); skin and respiratory data limited
Skin Corrosion/Irritation: Irritation reported in animal studies, may cause drying and redness
Eye Damage/Irritation: Causes eye irritation; animal testing indicates potential for conjunctival redness
Respiratory Sensitization: Data not available
Skin Sensitization: No evidence of sensitization in standard animal models
Germ Cell Mutagenicity: Not classified as mutagenic based on available data
Carcinogenicity: No components present at levels greater than 0.1% are listed as carcinogens by IARC, NTP, OSHA
Reproductive Toxicity: No data indicating reproductive hazards
Specific Target Organ Toxicity: Possible effects on mucous membranes with repeated or prolonged exposure
Other Information: May cause gastrointestinal upset if ingested

Ecological Information

Ecotoxicity: Harmful to aquatic organisms; limited long-term studies, but ionic liquids can inhibit microbial growth and impact aquatic invertebrates
Persistence and Degradability: Biodegradation is limited; may persist in aquatic environments
Bioaccumulative Potential: Data not definitive, moderate potential for bioaccumulation cannot be ruled out
Mobility in Soil: Likely to be mobile in aqueous environments
Other Adverse Effects: No data on effects on ozone layer or other environmental compartments

Disposal Considerations

Disposal Method: Must be disposed of as hazardous chemical waste in accordance with local, national, and international regulations
Contaminated Packaging: Clean before reuse or dispose as chemical waste
Special Precautions: Do not release to environment. Consult waste disposal specialist

Transport Information

UN Number: Not regulated for transport under ADR/RID, IMDG, IATA
UN Proper Shipping Name: Not applicable
Transport Hazard Classes: Not classified as dangerous
Packing Group: Not assigned
Environmental Hazards: Not classified for marine pollutant, but avoid release
Special Precautions for User: Avoid spills during loading/unloading. Use in tightly sealed, labeled packaging

Regulatory Information

Safety, Health and Environmental Regulations: Not specifically regulated under major chemical inventories (TSCA, REACH, DSL). Ensure compliance with relevant national and local chemical safety laws
OSHA Status: Not specifically listed
SARA/Title III: Not listed as hazardous under Section 302/304/313
WHMIS Classification (Canada): Not identified as a controlled product
EU Regulations: Not subject to registration but subject to REACH safety obligations
Other Regulatory Status: Observe all workplace and environmental limits for analogous substances