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Product Name: Isooctane
Chemical Name: 2,2,4-Trimethylpentane
CAS Number: 540-84-1
Synonyms: Isobutyltrimethylmethane, Iso-Octane
Use: Laboratory reagent, reference fuel, blending component in gasoline
Supplier Contact Information: Emergency phone numbers, manufacturer details and address (consult your latest supplier documentation)
Hazard Class: Flammable liquids, Category 2
Flammable Properties: High fire risk, may form explosive mixtures with air
Acute Health Hazard: Inhalation or ingestion can cause dizziness, headache, nausea
Chronic Health Hazard: Prolonged exposure can affect the central nervous system
GHS Label Elements: Danger, flammable liquid and vapor, aspiration hazard if swallowed, may cause drowsiness or dizziness
Special Notes: Vapors may travel to ignition source, containers may explode if heated
Chemical Component: 2,2,4-Trimethylpentane
Concentration: over 99%
Impurities or Additives: Very low levels of other hydrocarbons
EC Number: 208-759-1
Inhalation: Remove to fresh air, keep person at rest. Medical attention needed if breathing difficulty persists.
Skin Contact: Wash with plenty of water and soap. Take off contaminated clothing.
Eye Contact: Rinse thoroughly with water for at least fifteen minutes. Protect unaffected eye.
Ingestion: Seek immediate medical assistance. Do not induce vomiting. Rinse mouth with water, keep person calm and upright.
Important Symptoms: Dizziness, weakness, confusion, respiratory irritation.
Suitable Extinguishing Media: Use dry chemical, foam, or CO2.
Unsuitable Extinguishing Media: Don’t use water jets directly on the burning product.
Special Hazards: Vapors heavier than air, can collect in low areas, may flashback.
Protective Equipment: Firefighters need self-contained breathing apparatus and full protective gear.
Combustion Products: Carbon oxides, toxic fumes can form.
Advice: Isolate area, cool containers exposed to fire with water from a safe distance.
Personal Precautions: Evacuate area, ventilate, avoid breathing vapors.
Protective Equipment: Chemical resistant gloves, goggles, antistatic boots.
Containment: Stop leak, contain spill with non-combustible absorbent material such as sand or earth.
Clean-Up Methods: Use spark-proof tools. Place material in proper containers for disposal.
Environmental Precautions: Prevent entry into sewers, drains, waterways.
Handling: Use only in well-ventilated spaces; avoid contact with skin and eyes; keep away from heat sources, sparks, and open flames; ground and bond containers during transfer.
Storage Conditions: Store in tightly closed, properly labeled containers; keep in a cool, dry, well-ventilated facility away from oxidizing agents, strong acids, strong bases; store away from direct sunlight and incompatible substances.
Incompatibilities: Oxidizing materials, strong acids
Other Precautions: Keep container upright, don’t reuse empty containers until properly cleaned.
Occupational Exposure Limits: ACGIH TLV 300 ppm TWA
Engineering Controls: General room ventilation, use local exhaust at emission points
Personal Protection: Chemical splash goggles, nitrile gloves, flame-resistant lab coats, proper footwear
Respiratory Protection: Air-purifying respirator with organic vapor cartridges for high vapor concentrations
Hygiene Measures: Wash hands after handling, no eating or drinking in work areas, remove contaminated clothing.
Appearance: Clear, colorless liquid
Odor: Petroleum-like
Odor Threshold: 0.1–0.3 ppm
Boiling Point: 99°C (210°F)
Melting Point: -107°C (-160°F)
Flash Point: -12°C (10°F) closed cup
Evaporation Rate: Rapid
Flammability: Highly flammable
Explosion Limits: 1.0% (lower), 6.0% (upper)
Vapor Pressure: 45 mm Hg @ 20°C
Relative Density: 0.69 (water = 1)
Solubility: Negligible in water
Vapor Density: 3.5 (air = 1)
Auto-ignition Temperature: 415°C
Partition Coefficient: log Kow 4.18
Refractive Index: Approximately 1.391 @ 20°C
Chemical Stability: Stable under normal handling and storage conditions.
Hazardous Reactions: Can form peroxides on prolonged exposure to air.
Conditions to Avoid: Heat, sparks, open flames, static discharge.
Incompatible Materials: Strong oxidizers, strong acids, halogens.
Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, irritating fumes.
Acute Toxicity—Oral LD50: >5000 mg/kg (rat)
Acute Toxicity—Dermal LD50: >2000 mg/kg (rabbit)
Acute Toxicity—Inhalation LC50: >24,000 mg/m³ (rat, 4h)
Skin Irritation: Mild irritation might occur
Eye Irritation: May cause temporary discomfort, redness
Carcinogenicity: Not listed as carcinogenic by IARC, NTP, OSHA
Target Organ Effects: Central nervous system depression, respiratory irritation
Long-Term Exposure: Headache, fatigue, nausea, dizziness
Ecotoxicity: Toxic to aquatic life in high concentrations
Persistence or Degradability: Low persistence due to volatility and biodegradability
Bioaccumulative Potential: Moderate, based on log Kow
Mobility in Soil: Slight, rapid evaporation from soil surface
Other Adverse Effects: Spills may form surface slicks on water, harming aquatic organisms
Disposal Methods: Use approved hazardous waste contractor or facility for liquid waste
Container Disposal: Empty containers remain hazardous; triple rinse before recycling or disposal
Precautions: Prevent release to environment, comply with local, regional, national, international regulations
Special Recommendations: Do not mix with other wastes; label and store securely until disposal
UN Number: UN 1262
Proper Shipping Name: Isooctane
Danger Class: 3 (Flammable liquid)
Packing Group: II
Label: Flammable liquid
Special Precautions: Keep away from heat, sparks, open flames, store upright, provide plenty of ventilation during transport
Regulatory Status: Subject to U.S. DOT, IATA, IMDG regulations
OSHA: Flammable, hazardous chemical, requires training to handle
TSCA Status: Listed
EPCRA SARA Title III: Not subject to Section 302, 304, 313 reporting; check for local and state requirements
WHMIS (Canada): Class B2 (Flammable Liquids), Class D2B (Toxic Material)
REACH (EU): Registered substance
Labeling Requirements: Flammable, avoid breathing fumes and vapors, prevent environmental release
Other State and Local Laws: Check jurisdiction, may add handling and disposal restrictions
