Material Safety Data Sheet: 1-Octyl-2,3-Dimethylimidazolium Hexafluorophosphate

1. Identification

Chemical Name: 1-Octyl-2,3-Dimethylimidazolium Hexafluorophosphate
Synonyms: [Octmim][PF6]
Recommended Use: Laboratory and industrial synthesis, specialty solvent applications in chemical processes
Manufacturer Details: Supply company contact required for specific emergencies
Emergency Contact: Local poison control or emergency medical services
CAS Number: 746475-97-6

2. Hazard Identification

GHS Classification: Acute toxicity (Oral, Inhalation, Dermal), Skin and eye irritation, Environmental hazard (Aquatic Chronic 3)
Pictograms: Exclamation mark, Environmental hazard
Signal Word: Warning
Hazard Statements: Harmful if swallowed or inhaled, causes skin and eye irritation, may cause damage to organs through prolonged exposure, toxic to aquatic life with long-lasting effects
Precautionary Statements: Avoid breathing vapors or spray, wear suitable protective gear, wash hands thoroughly after handling, avoid release to environment, keep container tightly closed

3. Composition / Information on Ingredients

Substance: 1-Octyl-2,3-Dimethylimidazolium Hexafluorophosphate
Chemical Formula: C13H25N2PF6
Purity: Typically above 95%
Impurities: Trace unreacted imidazole derivatives, possible residual solvents
Common Identifiers: CAS No. 746475-97-6, EC No. [pending assignment]; non-hazardous impurities not listed due to low concentrations

4. First Aid Measures

Inhalation: Remove person to fresh air, seek medical attention if breathing becomes difficult or irritation develops
Skin Contact: Wash skin immediately with large amounts of soap and water, remove contaminated clothing, seek medical attention if irritation persists
Eye Contact: Flush eyes with water for several minutes holding eyelids open, remove contact lenses if easily possible, seek immediate medical evaluation
Ingestion: Rinse mouth thoroughly, do not induce vomiting, seek immediate medical care as compounds containing hexafluorophosphate may be toxic if absorbed
Important Symptoms: Irritation of skin, eyes, and respiratory tract; possible headache, nausea, drowsiness

5. Fire-Fighting Measures

Suitable Extinguishing Media: Water spray, carbon dioxide, dry chemical, foam; avoid using high-pressure water streams that might spread the material
Hazards from Fire: Decomposition releases toxic and corrosive gases (hydrogen fluoride, phosphorous oxides, nitrogen oxides)
Special Protective Equipment: Firefighters need self-contained breathing apparatus and full protective gear
Advice for Firefighters: Cool closed containers with water, isolate scene, prevent run-off from entering storm drains or waterways if safe
Explosion Data: Not known to form explosive mixtures in air under normal conditions, but avoid ignition sources

6. Accidental Release Measures

Personal Precautions: Evacuate area, ventilate closed spaces, wear suitable chemical-resistant gloves, goggles, and an approved respirator
Environmental Precautions: Prevent spillage from entering drains, sewers, and waterways, contain with sand or soil
Methods for Containment: Stop leak if safe; use inert absorbent material (vermiculite, sand); collect spilled liquid and solid waste in secure chemical containers for disposal
Cleanup Procedures: Wash contaminated area thoroughly after removal, dispose of material following local and federal regulations, report major spills to appropriate environmental authorities

7. Handling and Storage

Handling Practices: Avoid ingestion, inhalation, and direct contact, use in well-ventilated areas or fume hoods, do not eat, drink, or smoke during use
Technical Measures: Store in air-tight, corrosion-resistant containers, away from moisture and incompatible materials such as strong oxidizers or acids
Storage Conditions: Keep locked up or securely separated, store between 2°C and 8°C, protect from light
Incompatibilities: Water, acids, bases, strong oxidizers; avoid moisture to limit hydrolysis or HF release
Safe Transfer: Only use tools and pumps designed for use with corrosive and toxic chemicals

8. Exposure Controls and Personal Protection

Exposure Limits: No established occupational exposure limits for this compound; handle according to best industrial hygiene practice
Engineering Controls: Use with local exhaust ventilation or within a chemical fume hood, provide eyewash stations and safety showers
Personal Protection: Wear impervious gloves (nitrile, butyl rubber), chemical splash goggles, lab coat, and, in case of inadequate ventilation, a respirator with organic vapor/acid gas cartridges
Hygiene Measures: Remove contaminated clothing immediately, wash hands before breaks and after work, launder work clothing separately

9. Physical and Chemical Properties

Appearance: Colorless to pale yellow liquid
Odor: Mild, may have faint chemical or ammonia-like scent
Odor Threshold: Not determined
pH: Not applicable in bulk liquid, reacts in aqueous media
Melting Point: -44°C (approximate)
Boiling Point: Decomposes before boiling
Flash Point: > 100°C (closed cup, estimate)
Evaporation Rate: Negligible under ambient conditions
Flammability: Not highly flammable, vapors may form combustible mixtures
Vapor Pressure: Low at ambient temperature
Relative Density: 1.1 - 1.2 g/cm³
Solubility: Insoluble in water, mixes with organic solvents (acetonitrile, dichloromethane)
Partition Coefficient: Not available
Viscosity: High compared to common organic liquids
Decomposition Products: On heating, may release HF and PF6- fragmentation byproducts

10. Stability and Reactivity

Chemical Stability: Stable in the absence of moisture and under recommended storage conditions
Reactivity: Hygroscopic, may react slowly with water to generate HF, reacts with acids, bases, and strong oxidizers
Conditions to Avoid: Moist air, open flame, intense heat, direct sunlight
Incompatible Materials: Moisture, oxidizing agents, alkali metals, strong acids or alkalis
Hazardous Decomposition: Hydrogen fluoride, phosphorus compounds, imidazole byproducts, possible release of carbon oxides on combustion

11. Toxicological Information

Acute Toxicity: Oral, dermal, and inhalation exposure can cause moderate to severe systemic effects; no reliable LD50 value available for all routes—estimated oral LD50 in rats (200-2000 mg/kg)
Skin Irritation: Causes redness, pain, possible chemical burns on prolonged contact
Eye Irritation: Serious eye irritation and possible corneal damage
Inhalation Hazards: Vapors or aerosols irritate respiratory system; high concentrations lead to headache, dizziness, or nausea
Chronic Exposure: Repeat exposure risks include dermatitis, potential organ toxicity, possible effects on nervous and renal systems
Mutagenicity/Carcinogenicity: No data available, not listed by IARC, OSHA, or ACGIH as a carcinogen
Other Health Effects: Decomposition releases HF, a systemic poison and severe respiratory tract irritant

12. Ecological Information

Ecotoxicity: Harmful to aquatic organisms, risk of adverse effects on aquatic environment due to toxicity and persistence of PF6- ion
Mobility: Low volatility, high persistence in sediments and soils; non-biodegradable
Bioaccumulation: No direct evidence, but ionic liquids with similar structures can bioaccumulate
Degradability: Resistant to microbial and oxidative degradation, breakdown mainly by hydrolysis in presence of moisture
Other Adverse Effects: Disposal and accidental releases can impact aquatic and soil environments

13. Disposal Considerations

Waste Treatment: Manage as hazardous chemical waste; use licensed chemical waste contractor
Methods of Disposal: Incinerate at high temperature in suitable facility with flue gas scrubbing for HF removal, or dispose according to local hazardous waste regulations
Packaging Disposal: Decontaminate containers (triple rinse) before recycling or landfilling; treat as hazardous chemical residue
Regulatory Disposal Code: U-listed RCRA hazardous waste pending jurisdiction

14. Transport Information

UN Number: Not assigned for this specific chemical, generic classification as toxic liquid may apply
UN Proper Shipping Name: Toxic liquid, organic, n.o.s. (contains imidazolium salt)
Transport Hazard Class: 6.1 Toxic substances
Packing Group: III (lower hazard but still toxic)
Environmental Hazards: Classified as Marine Pollutant
Transport Labels: “Toxic” and “Marine Pollutant” required
Special Precautions: Cargo must be tightly sealed, in compatible containers; avoid temperature extremes, segregate from acids, food, feed

15. Regulatory Information

OSHA Status: Chemical hazard under OSHA Hazard Communication Standard
TSCA Status: Not listed or subject to reporting for new chemicals; check import/export rules
SARA Title III: Immediate (Acute) health hazard
EU REACH: Not registered, subject to evaluation if imported at high volume
Other Regulations: Subject to chemical accident prevention requirements, laboratory safety standards, and local environmental protection acts
Label Requirements: All handling containers must display clear chemical name and warning pictograms