Material Safety Data Sheet: 1-Hexyl-3-Methylimidazolium Dihydrogen Phosphate

Identification

Chemical Name: 1-Hexyl-3-Methylimidazolium Dihydrogen Phosphate
Synonyms: [HMIm][H2PO4], 1-hexyl-3-methylimidazolium dihydrogen phosphate
CAS Number: 678701-25-0
Manufacturer or Supplier: Company or laboratory source contact details required.
Recommended Uses: Solvent in chemical synthesis, electrochemistry, biomass processing.
Emergency Contact Information: Supplier's emergency phone number or regional poison center.

Hazard Identification

Classification: Not classified as hazardous under GHS, but precaution advised due to potential irritant effects.
Signal Word: Warning
Hazard Statements: May cause mild skin and eye irritation, possible transient respiratory discomfort on inhalation.
Pictogram: Exclamation mark (irritant)
Precautionary Statements: Avoid direct contact with skin and eyes; do not ingest or inhale dust or vapors; use in a well-ventilated space; wear protective gloves and goggles.
Unknown Acute Toxicity: Full toxicological profile not established; treat unknown exposures conservatively.
Other Hazards: Contact with strong oxidizers might cause dangerous reactions.

Composition / Information on Ingredients

Chemical Formula: C10H21N2O4P
Main Ingredient: 1-Hexyl-3-Methylimidazolium Dihydrogen Phosphate (purity ≥ 98%)
Impurities: Small residuals of starting imidazole, phosphoric acid traces, solvent residues possible.
Mixture: Single component ionic liquid, not a blend.
EC Number: Not allocated.
Molecular Weight: 264.27 g/mol.

First Aid Measures

Eye Contact: Immediately flush eyes with plenty of clean water for at least 15 minutes, hold eyelids open, seek medical advice if irritation persists.
Skin Contact: Remove contaminated clothing, wash exposed area with soap and water, seek care for persistent irritation or rash.
Inhalation: Move affected person to fresh air, keep warm and at rest, seek medical attention if breathing becomes difficult.
Ingestion: Rinse mouth with water (no swallowing), call poison control or a physician for advice; never give anything by mouth to an unconscious individual.
Most Important Symptoms: Mild to moderate local irritation, no chronic symptoms identified based on current studies.
Self-Protection for First Aiders: Use disposable gloves, avoid direct skin and eye contact, avoid breathing vapor or dust.

Fire-Fighting Measures

Suitable Extinguishing Media: Dry chemical, CO2, alcohol-resistant foam, water spray (do not use direct water jet).
Specific Hazards: Combustion may produce CO, CO2, nitrogen oxides, phosphorus oxides, irritating fumes.
Personal Protective Equipment: Full protective suit with self-contained breathing apparatus recommended.
Special Firefighting Instructions: Cool containers exposed to fire with sprayed water, avoid inhaling smoke.
Explosion Data: Not known to form explosive mixtures with air.
Further Information: Minimize runoff entry into drains and water courses.

Accidental Release Measures

Personal Precautions: Avoid breathing vapor, avoid skin and eye contact, ventilate area.
Protective Equipment: Wear chemical-resistant gloves, safety goggles, lab coat.
Methods for Containment: Contain spill using inert absorbent (sand, vermiculite), move containers from spill area.
Clean-Up Procedures: Collect absorbed material into sealable waste containers, dispose per local waste guidelines.
Environmental Precautions: Do not allow to enter drains, surface water, or soil.
Notification Procedures: Report major spills to local authorities as per regulatory requirements.

Handling and Storage

Handling Precautions: Avoid contact with skin, eyes, and clothing; use protective equipment; avoid inhalation of mist or vapor; work in a fume hood if available.
Storage Conditions: Store in tightly closed containers, in a cool, dry, well-ventilated space.
Incompatible Materials: Strong oxidizers, strong acids, strong bases.
Storage Temperature: Room temperature, protect from extreme heat and light.
Hygiene Measures: Wash hands thoroughly after handling, remove contaminated clothing, keep food and drink away from storage area.
Special Requirements: Secure containers to prevent accidental release.

Exposure Controls and Personal Protection

Engineering Controls: Handle in an area with local exhaust or fume hood; keep containers closed when not in use; ensure eye-wash and safety showers present.
Occupational Exposure Limits: No specific exposure limits set by OSHA, NIOSH, or ACGIH.
Personal Protective Equipment: Nitrile or neoprene gloves, chemical splash goggles, lab or chemical-resistant protective clothing.
Respiratory Protection: Use NIOSH-approved respirator if ventilation inadequate or large amounts handled.
Environmental Exposure Controls: Minimize release to water, air, and soil; dispose of rinsates and waste via regulatory-compliant hazardous pathways.
Monitoring Methods: Qualitative workplace air monitoring recommended for larger-scale use.

Physical and Chemical Properties

Appearance: Colorless to pale yellow oily liquid
Odor: Mild; faintly ammoniacal
Odor Threshold: Not established
pH: 3–4 (aqueous solution, 20°C)
Melting Point/Freezing Point: Below room temperature
Initial Boiling Point/Range: Decomposes before boiling
Flash Point: Above 150°C (closed cup)
Evaporation Rate: Not established
Flammability: Non-flammable under normal conditions
Explosion Limits: Not determined
Vapor Pressure: Negligible at ambient temperature
Vapor Density: Not available
Relative Density: 1.17–1.20 (20°C)
Solubility: Fully miscible in water, soluble in alcohols
Partition Coefficient (log Kow): Not measured
Auto-Ignition Temperature: Not established
Decomposition Temperature: Above 200°C
Viscosity: Viscous liquid, dependent on temperature.

Stability and Reactivity

Chemical Stability: Stable under recommended storage and handling procedures
Hazardous Reactions: May react with strong oxidizers, acids, or bases to form hazardous by-products
Conditions to Avoid: Excessive heat, open flame, incompatible materials
Incompatible Materials: Strong acids, alkalis, oxidizing agents
Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, nitrogen oxides, phosphorus oxides
Polymerization: Not known to polymerize

Toxicological Information

Acute Toxicity: No animal LD50 data published; limited toxicity observed in in vitro and aquatic studies
Inhalation: Irritation possible, avoid breathing mist or vapor; not expected to be severely toxic
Skin Contact: May cause skin irritation with prolonged or repeated contact
Eye Contact: Causes eye irritation upon direct splashes
Ingestion: Low acute toxicity estimated; gastrointestinal disturbance possible
Chronic Effects: No evidence for carcinogenicity, mutagenicity, or reproductive toxicity
Sensitization: Not classified as a sensitizer
Additional Data: Precaution suggested due to limited comprehensive human or long-term data

Ecological Information

Ecopersistence: Moderately persistent; slow to biodegrade under typical environmental conditions
Bioaccumulation: Not presumed to bioaccumulate based on structure, but supportive studies limited
Aquatic Toxicity: Potential moderate toxicity to aquatic species (Daphnia EC50 > 10 mg/L)
Soil Mobility: Water solubility enables moderate mobility in the environment
Degradation: Readily hydrolyzed in acidic and basic conditions over time, forms imidazole and phosphate ions
Ecological Concerns: Limit entry into soil, waterways, and groundwater to prevent possible chronic effects

Disposal Considerations

Product Disposal: Dispose of as chemical waste via licensed hazardous waste contractor
Contaminated Packaging: Dispose of containers and rinsate per local environmental regulations; triple rinse if regulations allow, puncture or crush container
Incineration: Incinerate in accordance with local, state, and federal regulations
Sewage Disposal: Do not dispose of product or rinsates in domestic sewage systems
Disposal Precautions: Avoid mixing with incompatible chemicals during waste handling
Regulatory Disposal Codes: Assign according to national or regional hazardous waste classification

Transport Information

UN Number: Not assigned for this substance
UN Proper Shipping Name: Not regulated for transport by major modes (ADR, RID, IMDG, IATA)
Transport Hazard Class: Not regulated as dangerous goods
Packing Group: Not applicable
Environmental Hazards: Not classified as marine pollutant
Special Precautions for User: Keep container tightly closed and upright, prevent spillage during transport
Customs Codes: Check with local authorities, as classification may vary by jurisdiction

Regulatory Information

Occupational Safety Standards: Not specifically regulated under OSHA, NIOSH, or EU workplace directives
Chemical Inventory Status: Notified under TSCA (USA); reach compliance status must be checked for EU use
Labeling Requirements: Basic irritant hazard labeling recommended; custom labeling suited to end use
Controlled Substances List: Not listed on US DEA or international controlled lists
International Agreements: Not subject to Montreal Protocol, Stockholm Convention, or Rotterdam Convention
Other Regulatory References: Ensure product registration or notification meets national and regional safety requirements