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Product Name: Isopropyl Isocyanate
Chemical Formula: C4H7NO
Molecular Weight: 85.11 g/mol
Synonyms: 2-Isopropyl isocyanate, Isocyanic acid, isopropyl ester
CAS Number: 4098-71-9
Intended Use: Laboratory reagent, intermediate in chemical synthesis, used in polymer and agrochemical industries
Supplier Information: Information found on container label or company documentation
Emergency Contact: Refer to supplier sheet or local safety authority contact details
Hazard Classification: Flammable liquid (Category 2), Acute toxicity (Category 3, inhalation), Skin corrosion or irritation (Category 1), Serious eye damage (Category 1), Respiratory sensitizer (Category 1), Specific target organ toxicity (single exposure, Category 3)
Signal Word: Danger
Hazard Statements: Highly flammable liquid and vapor, toxic if inhaled, causes severe skin burns and serious eye damage, may cause allergy or asthma symptoms, may cause respiratory irritation
Pictograms: Flame, Skull-and-crossbones, Corrosive, Health hazard
Precautionary Statements: Keep away from heat and ignition sources, do not breathe vapors, use protective clothing and eye protection, wear respiratory protection, avoid release to the environment
Exposure Routes: Inhalation, skin contact, eye contact, ingestion
Substance: Isopropyl Isocyanate
CAS Number: 4098-71-9
Concentration: 98–100%
Impurities: Trace solvent or production byproducts, generally less than 2%, may include minor related isocyanates
Mixtures: Substance typically handled in neat or concentrated solution
Inhalation: Move person to fresh air, keep comfortable for breathing, call poison control or medical help right away
Skin Contact: Immediately take off contaminated clothing, rinse skin with plenty of water for at least 15 minutes, seek medical advice
Eye Contact: Rinse cautiously with water for several minutes while holding eyelids open, remove contact lenses if present and easy to do, continue rinsing, seek immediate medical attention
Ingestion: Rinse mouth, do NOT induce vomiting, never give anything by mouth to an unconscious person, get medical attention immediately
Most Important Symptoms and Effects: Severe irritation or burns to eyes, skin, mucous membranes, respiratory distress, chest tightness, delayed pulmonary edema
Notes for Physician: Treat symptomatically, monitor for respiratory complications, possible need for corticosteroids
Suitable Extinguishing Media: Foam, dry chemical, carbon dioxide. Water spray for cooling, not to extinguish fire directly as violent reaction with water possible
Unsuitable Extinguishing Media: Water jet (may cause violent reaction)
Specific Hazards: Vapors may form explosive mixture with air, combustion releases toxic gases including nitrogen oxides, carbon monoxide, isocyanate vapors
Protective Equipment: Full protective gear and self-contained breathing apparatus
Firefighting Instructions: Keep containers cool by spraying water, stay upwind, evacuate area, avoid breathing combustion products, do not allow runoff to reach sewers
Personal Precautions: Evacuate area, ventilate location, remove all ignition sources, wear positive-pressure respirator and chemical-resistant clothing
Methods for Cleanup: Absorb with inert material (vermiculite, sand), scoop into secure containers, use tools that do not produce sparks, seal and label for hazardous waste
Environmental Protection: Prevent entry into waterways, drains, and soil, inform environmental authorities if significant spill occurs
Handling: Open only in a chemical fume hood, avoid inhalation and contact with skin/eyes, wash hands thoroughly after handling, use spark-proof tools and explosion-proof equipment
Storage Conditions: Store in tightly closed container, cool, dry, and well-ventilated area, away from moisture, heat and incompatible materials (acids, amines, alcohols, oxidizers).
Special Precautions: Monitor storage conditions, do not store near food or feed, prevent buildup of electrostatic charge, label containers properly, restrict access to trained personnel
Occupational Exposure Limits: OSHA Ceiling value 0.02 ppm, ACGIH TLV 0.005 ppm (as NCO group)
Engineering Controls: Chemical fume hood, local exhaust ventilation, explosion-proof equipment
Personal Protective Equipment: Full-face respirator with isocyanate cartridges, nitrile or butyl-rubber gloves, chemical-resistant apron, closed footwear, splash-proof goggles
General Hygiene: Prohibit eating, drinking, or smoking in work area, change contaminated clothing, regular medical surveillance of exposed workers
Appearance: Clear, colorless liquid
Odor: Pungent, irritating
Boiling Point: 100–105°C
Melting Point: −60°C
Flash Point: 14°C (closed cup)
Auto-ignition Temperature: 435°C
Vapor Pressure: 58 mmHg at 20°C
Solubility: Reacts with water, soluble in most organic solvents
Evaporation Rate: Rapid
Viscosity: Low, similar to water
Relative Density: About 0.86 g/cm³
Partition Coefficient (n-octanol/water): Not determined
Chemical Stability: Unstable in presence of water or moisture, stable under inert, dry conditions
Conditions to Avoid: Exposure to heat, flames, moisture or strong oxidizers
Materials to Avoid: Water, alcohols, strong acids, strong bases, amines, oxidizing agents
Hazardous Decomposition: Carbon monoxide, carbon dioxide, nitrogen oxides, isocyanate vapors, hydrogen cyanide under fire conditions
Polymerization: Possible under acidic or basic conditions, or in presence of moisture, can result in violent exothermic reaction
Routes of Exposure: Inhalation, ingestion, dermal, ocular
Acute Toxicity: Inhalation LC50 (rat): 188 ppm/4h. Oral LD50 (rat): 55 mg/kg. Dermal LD50 (rabbit): 300 mg/kg
Skin/Eye Irritation: Severe burns and irreversible eye damage
Allergic Effects: Sensitizer; may cause allergic respiratory reactions and asthma-like symptoms after repeated exposures
Chronic Effects: Persistent cough, reduced lung function, long-term allergy risk, possible carcinogenesis not definitively established
Other Data: Delayed pulmonary edema possible, especially after inhalation of high concentration
Environmental Fate: Rapid hydrolysis in water to form isopropylamine and carbon dioxide. Degrades quickly but releases toxic intermediates
Aquatic Toxicity: Acute toxic to aquatic organisms, LC50 (fish, 96 h): 27 mg/L
Persistence and Degradability: Not persistent under environmental conditions, breaks down in air and water
Bioaccumulation: Not expected due to rapid breakdown, however local acute toxicity possible near release point
Mobility in Soil: Will not persist in soil, hydrolyzes quickly
Other Adverse Effects: Release to the environment should be avoided as hydrolysis can release harmful products
Waste Treatment Methods: Dispose by incineration at a chemical waste facility with afterburner and scrubber, all local, regional, and national waste regulations apply
Do Not: Dispose to sewer, surface water, or ground
Contaminated Packaging: Empty containers must be triple-rinsed, punctured, and disposed of as hazardous waste
Precautions: Neutralize remaining product with dilute acid under expert supervision before disposal
UN Number: UN2480
Proper Shipping Name: Isopropyl isocyanate
Hazard Class: 6.1 (Toxic substances), 3 (Flammable liquids)
Packing Group: I (high danger)
Labels: Toxic, Flammable Liquid
Special Provisions: Keep packaging airtight and dry, notify carrier of chemical hazards, emergency response guide available with shipment
Marine Pollutant: Not classified as marine pollutant but must not be discharged overboard
US OSHA: Covered under Hazard Communication Standard, listed on SARA Title III Section 302 (extremely hazardous), Section 313 (reportable substance)
EU REACH/CLP: Classified as hazardous, subject to restriction for professional use
Canada WHMIS: Controlled product, D1A (very toxic), B2 (flammable), E (corrosive)
TSCA Inventory Status: Listed
Additional National/Global Regulations: Subject to workplace exposure controls, emergency planning, and accident reporting requirements in most industrialized jurisdictions, always consult local, state or national legislation before purchase or use
