Product Name: Isohexane
Chemical Formula: C6H14
Synonyms: 2-Methylpentane, 3-Methylpentane, branched hexane isomers
CAS Number: 107-83-5 (covers one predominant isomer, for mixtures ranges between 107-83-5 and 96-14-0)
Recommended Use: Laboratory solvent, chemical synthesis, extraction operations in industry
Manufacturer: Refer to supplier label for precise manufacturer and contact information
Emergency Phone: Refer to specific supplier MSDS emergency contact
Address: Provided by manufacturer’s shipping documentation
Classification: Highly flammable liquid and vapor, harmful if inhaled, causes skin dryness and irritation
Main Risks: Rapid vapor production leads to explosion hazards in closed or poorly ventilated areas; inhalation depresses central nervous system, possible narcosis at high concentrations; repeat skin contact promotes dermatitis
OSHA/HCS Status: Considered hazardous under OSHA regulations
Label Elements: Signal word: Danger; Pictograms: Flame, exclamation mark
Harmful Effects: Inhalation causes drowsiness, dizziness, potential respiratory depression; ingestion may damage lung tissue if aspirated
Precautionary Statements: Keep away from ignition sources; use only with adequate ventilation; avoid breathing vapor; wash exposed skin after use
Chemical Name: Isohexane (mixture of isomers, typically 2-methylpentane, 3-methylpentane)
Concentration: > 99%
Impurities: Trace amounts of other aliphatic hydrocarbons
CAS Number: 107-83-5, 96-14-0
EC Number: 203-523-4, 202-481-4
Molecular Weight: 86.18 g/mol
Inhalation: Remove individual to fresh air, maintain open airway, seek immediate medical attention with signs of drowsiness or unconsciousness, implement rescue breathing or oxygen if needed
Skin Contact: Remove contaminated clothing, flush affected skin with water for at least 15 minutes, apply emollient if irritation develops, consult physician for persistent redness
Eye Contact: Rinse eyes cautiously with plenty of water, remove contact lenses if present, continue flushing for several minutes, contact ophthalmologist for prolonged discomfort
Ingestion: Rinse mouth, do not induce vomiting, provide medical support immediately due to risk of aspiration into lungs and potential chemical pneumonitis
Acute Symptoms: Headache, fatigue, nausea, respiratory irritation, CNS depression, ataxia, confusion; chronic exposure promotes dermatitis and possible organ damage
Suitable Extinguishing Media: Carbon dioxide, dry chemical powder, foam, water fog
Unsuitable Media: Avoid direct water jets because of risk of spreading burning liquid
Hazardous Combustion Products: Produces carbon monoxide, carbon dioxide, irritating smoke under fire conditions
Special Protective Actions: Firefighters wear self-contained breathing apparatus, full turnout gear, keep containers cooled with water spray
Additional Hazards: Vapors form explosive mixtures with air, flashback along vapor trail possible, closed containers risk violent rupture if exposed to fire/heat
Personal Precautions: Evacuate area, eliminate ignition sources, ventilate space, wear respiratory protection and solvent-resistant gloves
Environmental Precautions: Prevent run-off to drains, soil, and watercourses due to aquatic toxicity, notify authorities if large spill enters waterways
Containment Methods: Use inert absorbent materials (sand, earth, vermiculite) for small spills; dike for larger spills
Clean-Up Methods: Collect absorbed material in suitable containers for disposal, decontaminate area with non-flammable detergent solution, ventilate before permitting unprotected personnel entry
Precautions: Use with local exhaust or general ventilation to minimize vapor accumulation; ground/bond containers to avoid static discharge; avoid direct contact with eyes, skin, and clothing; prohibit smoking near use or storage
Safe Storage: Store in tightly sealed containers, in cool, dry, well-ventilated area, away from oxidizing agents, acids, direct sunlight, and heat
Container Requirements: Approved, properly labeled flammable liquid storage containers; keep away from food and beverage areas
Incompatible Materials: Strong oxidizers, halogens, acids
Occupational Exposure Limits: OSHA PEL: 500 ppm TWA (as hexane, not isohexane—verify current standards); ACGIH TLV: 50 ppm (as n-hexane; use as guideline)
Engineering Measures: Local exhaust ventilation, process enclosure, explosion-proof equipment in zone 1 classified areas
Personal Respiratory Protection: Approved organic vapor respirator if controls insufficient, supplied air in high exposure/event of spill
Skin Protection: Chemical-resistant gloves (nitrile, neoprene), solvent-resistant aprons, long sleeves
Eye/Face Protection: Safety goggles meeting ANSI or EN standards, face shield for splash risk
Hygiene Measures: Wash hands thoroughly before breaks, shower after handling, prohibit chewing, eating, or drinking during use
Appearance: Clear, colorless liquid
Odor: Mild, gasoline-like
Odor Threshold: Near 130 ppm
pH: Not applicable
Melting Point: About -153°C
Boiling Point: Ranges from 60°C to 63°C (varies based on isomer)
Flash Point: -17°C (closed cup)
Evaporation Rate: 9.2 (butyl acetate = 1)
Flammability: Highly flammable, easily ignited in vapor form
Upper/Lower Explosion Limits: 7.5% upper, 1.2% lower by volume
Vapor Pressure: 162 mmHg at 20°C
Vapor Density: 3.0 (air=1)
Relative Density: 0.66 g/cm3 at 20°C
Solubility (Water): Negligible
Partition Coefficient (log Kow): 3.6-4.2
Auto-ignition Temperature: 260°C
Decomposition Temperature: Not well defined, above 260°C decomposition likely
Viscosity: 0.44 mPa·s at 20°C
Chemical Stability: Stable at ambient temperature and normal pressure with good ventilation
Reactivity: Highly flammable; forms explosive mixtures with air; reacts with strong oxidants and acids
Hazardous Reactions: Vigorous exothermic reaction with oxidizing agents
Decomposition Products: Emits toxic carbon oxides with fire exposure or high heat
Conditions to Avoid: Flames, sparks, static discharges, unsealed containers, contact with incompatible chemicals
Potential Acute Effects: Breathing high concentrations depresses central nervous system, brings headaches, dizziness, confusion, even unconsciousness
Ingestion Risks: Causes lung inflammation and chemical pneumonia if aspirated
Skin Effects: Repeated or prolonged contact de-fats skin, causing dryness and cracking
Eye Irritation: Direct contact leads to redness, pain, watering
Cancer Risk: No clear IARC, NTP, or OSHA listing as carcinogenic for isohexane, though long-term industrial experience highlights the need for careful monitoring
Other Risks: No evidence of genetic toxicity, but inhalation at high levels over time can damage peripheral nerves
LD50 (oral, rat): Above 15,000 mg/kg—relatively low oral toxicity; main danger lies in CNS depression
Aquatic Toxicity: Acute exposure is harmful to fish and aquatic invertebrates; LC50 ranges 2–5 mg/L for freshwater fish
Persistence/Degradability: Moderately persistent; starts to evaporate quickly from surface waters; some breakdown through photolysis and microbial action
Bioaccumulation Potential: Moderate due to high log Kow, possible accumulation in aquatic food chains
Mobility in Soil: Low solubility but floats on water surfaces, migrates through porous soils and may contaminate groundwater
Other Findings: Spilled material harms aquatic environments and damages organisms’ nervous systems, especially in chronic low-level exposures
Waste Treatment Methods: Collect in sealed, labeled containers for disposal; do not discharge to sewers or surface waters
Incineration: Permitted only at facilities equipped for hazardous flammable liquids, observe local regulations
Sewer Disposal: Prohibited due to volatile organic compound and fire risk
Contaminated Packaging: Rinse containers well with approved detergent; dispose of rinsate and packaging through licensed hazardous waste processor
UN Number: 1208
Proper Shipping Name: Hexanes, isohexanes mixture (hydrocarbons, liquid, n.o.s.)
Transport Hazard Class: 3 (Flammable Liquids)
Packing Group: II
Labels Required: Flammable liquid
Marine Pollutant: Yes
Special Precautions: Do not transport with oxidizing agents, ensure full compliance with DOT, ADR, IMDG, and IATA rules; keep away from sparks, static electricity, sources of heat, incompatible cargo
TSCA Status: Listed on US TSCA Inventory
OSHA Status: Regulated as hazardous chemical
SARA 313: Not subject to SARA section 313 reporting at federal level for isohexane, but state regs may vary
WHMIS Classification (Canada): B2 (Flammable Liquid), D2B (Toxic Material causing other effects)
REACH Registration: Registered in the European Union; check individual substance registration number for compliance
California Proposition 65: Not specifically listed; monitor for presence of n-hexane or impurities that may fall under Prop 65
International Regulations: Complies with inventories in Australia, Canada, China, Japan, Korea, Philippines
