Material Safety Data Sheet (MSDS)

1-(Ethoxycarbonyl)Methyl-3-Methylimidazolium Bis(Trifluoromethylsulfonyl)Imide

Identification

Product Name: 1-(Ethoxycarbonyl)Methyl-3-Methylimidazolium Bis(Trifluoromethylsulfonyl)Imide
Synonyms: C7H13N2O2[C2F6NO4S2]
Recommended Use: Solvent, catalyst component in synthesis, ionic liquid for advanced material processing
Supplier: Chemical distributor or manufacturer’s contact as listed on packaging
Emergency Telephone: Local or national chemical emergency hotline
CAS Number: 534612-63-0

Hazard Identification

Classification: Irritant for eyes and skin, possible respiratory irritation on high exposure
Label Elements: Irritant pictogram, avoid contact with skin and eyes, R36/37/38
Most Important Hazards: Eye, skin, and respiratory tract irritation, potential environmental hazard if spilled in natural watercourses, risk of temporary nervous system effects at high exposure
Other Hazards: Decomposition under heat creates toxic byproducts, such as fluorinated and sulfur-containing gases

Composition / Information on Ingredients

Chemical Name: 1-(Ethoxycarbonyl)Methyl-3-Methylimidazolium Bis(Trifluoromethylsulfonyl)Imide
Formula: C7H13N2O2 + C2F6NO4S2
Percentage: 97-100% active ingredient
Impurities: Small traces of related ionic liquids or starting materials
REACH Registration No.: Registered or exempt based on production quantity and usage

First Aid Measures

Skin Contact: Remove contaminated clothing, wash skin thoroughly with water and soap, seek medical attention for any persistent irritation
Eye Contact: Rinse cautiously with water for at least 15 minutes, keep eyelids apart, consult an ophthalmologist
Inhalation: Move person to fresh air, support breathing as required, call for medical help if symptoms persist
Ingestion: Rinse mouth, do not induce vomiting, drink water to dilute if conscious, immediate medical evaluation recommended
Symptoms: Irritation, redness, burning sensation, coughing, sore throat

Fire-Fighting Measures

Suitable Extinguishing Media: Dry chemical, CO2, foam, water spray for larger fires
Specific Hazards: Combustion releases toxic gases like CO, CO2, SOx, and HF
Advice for Firefighters: Self-contained breathing apparatus and protective suit, avoid inhalation, move containers from fire area if safe
Further Info: Cool unopened containers with water spray, do not allow run-off into drains

Accidental Release Measures

Personal Precautions: Ensure adequate ventilation, wear PPE including gloves, goggles, lab coat, and a respirator for large spills
Environmental Precautions: Prevent leaks entering sewers, ground, or water bodies, notify authorities in case of large spills
Methods for Cleaning Up: Absorb with inert material, sweep up, place in labeled chemical waste containers, ventilate area thoroughly
Additional Advice: Properly dispose of contaminated material and thoroughly clean the surface

Handling and Storage

Handling: Use with adequate ventilation, avoid inhaling dust or vapor, do not eat, drink, or smoke near product use, wash hands after handling
Storage: Store in tightly sealed, labeled containers away from strong oxidizers, acids, and bases, keep at 2-8°C, protect from light and moisture
Incompatibilities: Strong acids, alkalis, oxidizing agents
Specific Use Notes: Only trained personnel should manipulate the product, employ tools and methods minimizing accidental spills

Exposure Controls / Personal Protection

Exposure Limits: No established national OELs, minimize exposure to low levels as a precaution
Engineering Controls: Use within a chemical fume hood, provide safety showers and eye wash stations
Personal Protection: Nitrile or neoprene gloves, chemical splash goggles, liquid-impermeable lab coat, proper footwear, full-face respirators in high vapor/dust settings
Hygiene Measures: Change contaminated clothing promptly, wash thoroughly before breaks and after use

Physical and Chemical Properties

Appearance: Colorless to pale yellow liquid or crystalline solid, slight odor
Molecular Weight: ~420-450 g/mol (combined cation and anion)
pH: 5.0-7.0 (solution)
Melting Point: 50-60°C (varies by batch)
Boiling Point: Decomposes before boiling
Flash Point: >150°C
Solubility: Miscible with water, polar organic solvents
Vapor Pressure: Low at room temperature
Other Data: Non-volatile, stable under recommended storage

Stability and Reactivity

Chemical Stability: Stable under recommended handling and storage
Reactivity: Reacts with strong acids, bases, oxidizers
Hazardous Reactions: Decomposition from heat releases hazardous gases including SOx and HF
Conditions to Avoid: Excessive heat, direct sunlight, moisture, incompatible materials
Hazardous Decomposition Products: HF, sulfur oxides, NOx, fluorinated organics

Toxicological Information

Acute Toxicity: Low acute toxicity, LD50 (oral, rat): >2000 mg/kg
Routes of Exposure: Eye, skin, inhalation, ingestion
Symptoms: Redness, irritation, cough, stomach upset, headache at high concentrations
Skin Corrosion/Irritation: Potential for mild to moderate irritation with prolonged contact
Eye Damage/Irritation: Causes moderate irritation
Respiratory Sensitization: Not indicated
Chronic Effects: No evidence from limited studies, but long-term exposure avoided as a best practice

Ecological Information

Ecotoxicity: Potential toxicity toward aquatic organisms based on ionic liquid structure, lower rates of biodegradation
Mobility: Miscible with water, may move rapidly in aquatic environments
Persistence and Degradability: Limited biodegradability, long environmental persistence if released
Bioaccumulative Potential: Not expected to bioaccumulate significantly, yet not well studied
Other Effects: Discharge into water bodies may have unpredictable consequences for plant and microscopic aquatic life

Disposal Considerations

Disposal Methods: Treat as hazardous chemical waste, incinerate under controlled conditions at a licensed facility
Contaminated Packaging: Triple rinse before recycling or disposal, label containers as hazardous waste
Precautions: Never pour into drains or natural environments, contact authorized waste disposal agencies for guidance
Legal Compliance: Adhere to local, regional, and national hazardous waste regulations

Transport Information

UN Number: Not regulated as hazardous under international transport guidelines, exact classification depends on quantity and form
Proper Shipping Name: As per applicable laws, usually under “Ionic Liquids, NOS”
Transport Hazard Classes: None assigned by major agencies, use good practice for chemical transport
Packing Group: Not assigned, pack securely to avoid breakage or leaks
Special Precautions: Clearly label containers, use secondary containment, carry spill kit for large shipments

Regulatory Information

Safety, Health, and Environmental Regulations: Subject to TSCA in the US, REACH and CLP in the EU, consult latest versions for any use above 1 ton/year in industrial settings
Labelling Requirements: GHS labels for irritant or health hazard status, safety phrases based on hazard identification
Inventory Status: Registered or pre-registered under national and international chemical inventories
Restrictions: Industrial and research use only, not suitable for pharmaceuticals, foods, or cosmetics
Additional Guidance: Regularly review regulatory updates, assess workplace chemical hygiene and training programs for compliance