Material Safety Data Sheet: 1-Hexyl-3-Methylimidazolium Thiocyanate

Identification

Product Name: 1-Hexyl-3-Methylimidazolium Thiocyanate
Chemical Formula: C10H17N3S
CAS Number: 666826-98-4
Synonyms: [HMIM][SCN]
Recommended Use: Solvent, extraction medium, electrolyte component, phase transfer catalyst
Supplier: Provide local supplier details as required by regulatory standards
Emergency Phone Number: Seek local emergency number as per country regulations

Hazard Identification

Hazard Classification: Irritant for skin, eyes, and respiratory tract based on ionic liquid properties; not acutely toxic but can provoke immediate skin or eye discomfort
Signal Word: Warning
Hazard Statements: Causes skin and eye irritation, may cause respiratory irritation, harmful to aquatic life with long lasting effects
Precautionary Statements: Avoid breathing dust or vapors; wear eye protection, gloves, and face mask; do not release to the environment; wash hands thoroughly after handling
GHS Symbols: Exclamation mark, aquatic toxicity

Composition / Information on Ingredients

Chemical Name: 1-Hexyl-3-Methylimidazolium Thiocyanate
Concentration: >95%
Other Components: Trace impurities may include water or unreacted starting materials, present in very low quantities
Chemical Family: Imidazolium-based ionic liquids
Molecular Weight: 211.33 g/mol

First Aid Measures

Inhalation: Move person to fresh air, keep comfortable for breathing, seek medical attention if symptoms persist such as coughing or tightness in chest
Skin Contact: Remove contaminated clothing, rinse skin with plenty of water, use soap if available, seek medical help for irritation or burns
Eye Contact: Rinse cautiously with water for at least 15 minutes, remove contact lenses if present and easy to do, continue rinsing, seek medical attention promptly
Ingestion: Rinse mouth, do not induce vomiting, give water or milk to dilute if conscious, seek medical advice immediately
Symptoms to Watch: Irritation, red or watery eyes, redness or blistering of the skin, headaches, dizziness, breathing difficulties

Fire-Fighting Measures

Suitable Extinguishing Media: Use water spray, dry chemical, CO2, or foam, select extinguishing agents suitable for surrounding materials as product does not support combustion on its own
Specific Hazards: Thermal decomposition may generate toxic fumes, including nitrogen oxides, sulfur compounds, and organic fragments, risk increases in enclosed spaces
Protective Equipment: Firefighters should wear self-contained breathing apparatus and chemical-resistant clothing, avoid inhalation of smoke or fumes
Special Precautions: Avoid runoff into water systems, contain firefighting water to prevent environmental contamination

Accidental Release Measures

Personal Precautions: Use protective gloves, safety goggles, and respirators, remove sources of ignition, ventilate area well
Environmental Precautions: Prevent entry into soil, drains, or waterways, contain spill with inert absorbent, treat as hazardous waste
Cleanup Methods: Absorb with sand, earth, or suitable inert material, shove into labeled containers for proper disposal, wash spill site with water, ventilate area after cleanup
Decontamination: Use detergent solution for area followed by water rinse to remove all residues

Handling and Storage

Handling: Use personal protective equipment, handle in a well-ventilated area, avoid inhaling dusts, vapors, or fumes, wash hands after handling, do not allow contact with skin or eyes
Storage: Keep container tightly closed in a dry, cool, well-ventilated place, store away from strong acids, bases, oxidizing agents, and moisture, segregate from food and drink
Storage Conditions: Temperature below 30°C recommended, avoid direct sunlight and sources of ignition, label containers clearly and update inventory regularly
Incompatible Materials: Strong oxidizers, reducing agents, acid chlorides, water (may cause partial hydrolysis over time)

Exposure Controls and Personal Protection

Engineering Controls: Use local exhaust ventilation, fume hoods or equivalent systems in laboratory or industrial settings, provide eyewash stations nearby; regular air monitoring for vapor or mist concentrations is beneficial
Respiratory Protection: Wear approved respirator with organic vapor/particulate cartridge if airborne concentrations approach recommended limits
Hand Protection: Chemical-resistant gloves made of nitrile, neoprene, or similar materials to prevent skin exposure
Eye Protection: Chemical safety goggles or face shield; contact lenses not recommended during handling
Body Protection: Wear lab coat or suitably resistant clothing, ensure closed footwear, frequent laundering of contaminated clothing
Hygiene: Prohibit eating, drinking, or smoking in work areas, wash hands thoroughly after use

Physical and Chemical Properties

Appearance: Pale yellow to colorless liquid or solid depending on storage moisture
Odor: Mild, characteristic, no strong pungency
Melting Point: Approximately 25-40°C (varies with purity and moisture content)
Boiling Point: Decomposes before boiling, typically above 250°C
Solubility: Miscible with water, soluble in many organic solvents
Vapor Pressure: Negligible at room temperature
Density: 1.05 – 1.12 g/cm³ at 20°C
pH (diluted): Neutral to weakly alkaline
Viscosity: Moderate to high, depending on temperature
Flash Point: >120°C, not easily flammable
Autoignition Temperature: Not determined, likely above 350°C
Explosion Limits: Not applicable due to ionic nature
Partition Coefficient (log P): Information limited, likely moderately hydrophilic

Stability and Reactivity

Chemical Stability: Stable under ambient storage conditions if kept dry and closed
Reactivity: Reactive with oxidizing agents, decomposition releases toxic gases at elevated temperatures
Conditions to Avoid: Extreme heat, moisture, direct sunlight, strong acids and oxidizers
Hazardous Decomposition: May emit poisonous gases such as hydrogen cyanide, sulfur oxides, nitrogen oxides when heated above decomposition point
Polymerization: Has not been shown to polymerize under normal operating conditions

Toxicological Information

Acute Toxicity: Oral LD50 (rat) estimated >2000 mg/kg; not acutely toxic but ingestion may cause gastrointestinal discomfort
Skin Corrosion/Irritation: May cause moderate irritation, prolonged exposure may provoke dermatitis
Eye Damage/Irritation: Causes irritation, risk of corneal injury on direct contact
Respiratory Effects: Inhalation of mist or vapor may irritate mucous membranes and respiratory tract, may aggravate asthmatic symptoms
Chronic Toxicity: No evidence for chronic toxicity; repeated exposures to high concentrations can cause sensitization
Sensitization: Skin or respiratory sensitization possible after repeated exposure based on structural analogues
Carcinogenicity/Mutagenicity/Reproductive Toxicity: No listings with OSHA, NTP, or IARC; no conclusive animal or epidemiological data as of the latest review
Target Organs: Skin, eyes, respiratory system

Ecological Information

Aquatic Toxicity: Harmful to aquatic organisms, causes long-term adverse effects in the aquatic environment, LC50 (fish) estimated 1-10 mg/L
Persistence and Degradability: Not readily biodegradable, persists under standard environmental conditions
Bioaccumulation Potential: Not expected to bioaccumulate significantly due to ionic nature; chronic exposure could still be harmful
Mobility in Soil: Moderately mobile, soluble in water, potential to leach to groundwater
Other Adverse Effects: Limited information available, avoid release to surface water and municipal sewer systems, uncontrolled disposal is strongly discouraged

Disposal Considerations

Disposal Methods: Incinerate in compliance with local, regional, and national regulations, do not dump untreated into sewers, groundwater, or surface water
Container Disposal: Decontaminate containers with detergent and water before recycling or disposal, treat rinse water as hazardous waste
Local/Regional Regulations: Follow chemical waste disposal protocols in your jurisdiction, consult environmental authorities for proper disposal channels
Unused Product: Encourage recycling or return to supplier if unused; avoid unnecessary accumulation and long-term storage

Transport Information

UN Number: Not regulated or assigned under standard transport regulations
Proper Shipping Name: Not classified as hazardous for international transport by air, sea, or land
Transport Hazard Class: Does not meet criteria for hazardous materials
Packing Group: Not applicable
Special Transport Precautions: Prevent container damage and leaks, use robust packaging, include accurate labeling, keep away from food and feedstuffs, ensure compliance with all relevant local and international shipping regulations

Regulatory Information

US Federal Regulations: Not specifically listed; subject to TSCA inventory, comply with SARA reporting if thresholds met
EU Regulations: Not currently classified under REACH as a registered substance; observe requirements for safe handling and notification of new chemicals
Labeling Requirements: Chemical name, pictograms, hazard and precautionary statements, supplier contact, emergency number
Occupational Exposure Limits: No established occupational exposure limits, recommend following good industrial hygiene practices and local rules
International Inventories: Notified or in process of notification in major global chemical registries, end users should review specific country requirements