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Product Name: Tert-Butyl Isocyanate
Chemical Formula: C5H9NO
Molecular Weight: 99.13 g/mol
CAS Number: 1609-86-5
Synonyms: 1-Isocyanato-2-methylpropane, t-Butyl isocyanate
Product Use: Intermediate in organic synthesis, used in pharmaceutical and agrochemical production
Supplier: Refer to specific manufacturer or distributor
Emergency Phone: Refer to local regulations and company documentation
GHS Classification: Acute Toxicity (Inhalation, Oral, Dermal), Skin Corrosion/Irritation, Eye Damage/Irritation, Respiratory Sensitization, Specific Target Organ Toxicity (Single Exposure), Environmental Hazard
Signal Word: Danger
Hazard Statements: Toxic if inhaled; Causes severe skin burns and eye damage; May cause allergy or asthma symptoms; May cause respiratory irritation; Very toxic to aquatic life
Pictograms: Skull and Crossbones, Corrosive, Exclamation Mark, Environment
Routes of Exposure: Inhalation, skin and eye contact, ingestion
Symptoms: Burning sensation, cough, wheezing, shortness of breath, severe eye and skin irritation, headache, nausea, pulmonary edema
Target Organs: Respiratory system, skin, eyes
Chemical Name: Tert-Butyl Isocyanate
CAS Number: 1609-86-5
Concentration: ≥ 98%
Impurities: Minor residual solvents or synthesis by-products, trace levels associated with raw material purity
Additives: None typically present
General Advice: Remove from exposure. Seek immediate medical attention.
Inhalation: Move person to fresh air. Keep at rest in position comfortable for breathing. Give oxygen if breathing is difficult.
Skin Contact: Remove contaminated clothing. Rinse skin thoroughly with generous amounts of water for 15-20 minutes. Do not use solvents or thinners.
Eye Contact: Rinse immediately with copious amounts of water for at least 15 minutes, holding eyelids apart to ensure thorough flushing.
Ingestion: Rinse mouth. Do not induce vomiting. Never give anything by mouth to an unconscious person.
Self-protection for First Aiders: Wear gloves and eye protection. Avoid inhaling any vapors in the vicinity during response.
Symptoms: Immediate or delayed respiratory distress, skin redness, chemical burns, tearing, impaired vision, nausea
Suitable Extinguishing Media: Carbon dioxide, dry chemical powder, foam, alcohol-resistant foam
Unsuitable Extinguishing Media: Direct water jet (may spread chemical)
Specific Hazards: Releases toxic fumes of cyanates, nitrogen oxides on combustion or thermal decomposition
Special Protective Equipment: Firefighters require self-contained breathing apparatus and full protective gear
Explosion Risk: Vapors may form explosive mixtures with air
Advice for Firefighters: Cool containers with water spray. Avoid runoff from fire control or dilution water entering waterways.
Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, nitrogen oxides, hydrogen cyanide (under incomplete combustion)
Personal Precautions: Evacuate area. Wear suitable chemical-resistant gloves, protective clothing, safety goggles, face shield, and respiratory protection.
Environmental Precautions: Prevent spillage from entering drains, soil, surface water or groundwater
Containment: Ventilate area. Stop leak if safe to do so. Cover drains and use non-combustible absorbent material (inert material such as sand, earth) for containment.
Clean-up Methods: Shovel up solid material or soak up liquid using absorbent. Transfer to an appropriate waste container. Seal container tightly for disposal.
Decontamination: Wash spill area thoroughly with water and suitable detergent. Monitor for vapors before re-entry.
Disposal: Dispose contaminated materials as hazardous waste in accordance with local regulations.
Handling: Work in well-ventilated fume hood or enclosed facility. Avoid breathing vapor or dust. Prevent skin, eye, and clothing contact. Wash hands after handling.
Storage Conditions: Store in tightly closed containers. Keep in a cool, dry, and well-ventilated place away from incompatible materials (such as water, alcohols, amines, acids).
Storage Temperature: Maintain below 25°C. Protect from heat, direct sunlight, and sources of ignition.
Packaging Materials: Use approved chemical-resistant materials.
Incompatible Materials: Water, alcohols, bases, acids, amines, strong oxidizing agents.
Special Requirements: Equip storage area with spill containment, emergency eye wash, and shower stations. Secure from unauthorized personnel.
Occupational Exposure Limits: No established OSHA or ACGIH exposure limits for tert-butyl isocyanate
Engineering Controls: Ensure exhaust ventilation and local fume extraction at points of emission to keep airborne concentrations below detectable limits
Personal Protective Equipment: Wear chemical-resistant gloves (nitrile, neoprene), safety goggles, face shield, lab coat or chemical-resistant apron, closed footwear
Respiratory Protection: Use NIOSH-approved full facepiece respirator with appropriate cartridges for handling vapor or aerosol
Hygiene Measures: Change contaminated clothing. No eating, drinking, or smoking in workplace
Monitoring: Air monitoring for isocyanate vapors with appropriate gas detection systems
Appearance: Colorless to pale yellow liquid
Odor: Pungent, sharp, irritating
Odor Threshold: Not determined
pH: Not available (reacts with water)
Melting Point: −61°C
Boiling Point: 82–83°C
Flash Point: 13°C (closed cup, highly flammable)
Evaporation Rate: Not determined
Flammability: Highly flammable liquid and vapor
Explosive Limits: Lower explosive limit not established; treat as potentially explosive in air
Vapor Pressure: 85 hPa at 20°C
Vapor Density: Heavier than air
Density: 0.86 g/cm³ at 20°C
Solubility: Reacts with water; soluble in hydrocarbons, ethers
Partition Coefficient (n-octanol/water): Not determined; presumed lipophilic
Auto-ignition Temperature: 441°C
Decomposition Temperature: Not determined
Viscosity: Not determined
Chemical Stability: Stable under recommended storage conditions
Reactivity: Reacts violently with water, alcohols, amines, bases, acids
Possibility of Hazardous Reactions: Polymerizes with water or moisture, may release heat and hazardous gases
Conditions to Avoid: Heat, flames, sparks, moisture, incompatible substances
Incompatible Materials: Water, alcohols, strong oxidizers, acids, bases, amines
Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, nitrogen oxides, isocyanates, hydrogen cyanide
Polymerization: Can occur in presence of water or catalysts, risk of runaway reaction
Acute Toxicity: Oral LD50 (rat) approx. 130 mg/kg; Dermal LD50 not established—presumed toxic; Inhalation LC50 (rat, vapor) approx. 250 ppm (4hr exposure)
Skin Corrosion/Irritation: Corrosive, severe irritation and burns possible
Eye Damage/Irritation: Causes severe burns, possible permanent damage
Respiratory Sensitization: Sensitizer, repeated exposure can cause asthma-like symptoms
Skin Sensitization: May induce allergic reaction
Chronic Effects: Repeated exposure complicates lung function, potential long-term respiratory impairment
Carcinogenicity: Not classified as carcinogenic by IARC, NTP, or OSHA
Mutagenicity: Not listed on mainstream studies; take rational caution with all isocyanates
Other Information: Individuals with existing respiratory or skin conditions may be more susceptible
Ecotoxicity: Harmful or fatal to aquatic organisms; data specific to species limited—general isocyanate toxicity suggests aquatic risk at low concentrations
Persistence and Degradability: Hydrolyzes rapidly in water to form tert-butylamine and CO2 but hazardous intermediate persists; slow natural breakdown
Bioaccumulation Potential: Low expected given high reactivity, though hydrolysis products may persist in environment
Mobility in Soil: Will bind to soil moisture and degrade, but runoff risk exists before breakdown
Other Adverse Effects: Release to water systems should be avoided; possible harm to aquatic environments from degradation by-products
Regulatory Status: Subject to national environmental protections for hazardous chemicals
Disposal Methods: Burn in a chemical incinerator equipped with afterburner and scrubber with proper regulatory approval; do not dispose by standard landfill or sewer
Contaminated Packaging: Contaminated containers must be emptied fully, triple-rinsed, and managed as hazardous waste
Environmental Precautions: Prevent from entering watercourses, drains or sewers. Always follow local, state, and federal protocols.
Special Notes: Work with licensed professional waste handlers. Keep spill response and disposal logs for compliance.
UN Number: UN2480
Proper Shipping Name: Tert-Butyl Isocyanate
Transport Hazard Class: 6.1 (toxic), 3 (flammable liquid)
Packing Group: I (high danger)
Labels: Toxic, Flammable Liquid
Marine Pollutant: Yes
Land/Road Transport: DOT regulated as hazardous material; follow segregation and special packaging regulations
Air Transport: IATA regulations require declaration as dangerous goods, use UN-approved containers
Special Precautions: Keep away from food, animal feed, incompatible substances. Notify emergency services during incidents in transit. Placard vehicles appropriately.
Global Inventories: Listed or regulated in TSCA (US), REACH (EU), DSL (Canada), ENCS (Japan)
SARA Title III - Section 313: Not listed specifically, follow guidance for isocyanates and toxic chemicals
OSHA: Classified as hazardous
EPA: Requires reporting under CERCLA when release exceeds reportable quantity
Other US Regulations: Subject to state-level chemical safety and right-to-know laws
EU Legislation: Classified as dangerous under CLP, subject to REACH authorization for downstream uses
Workplace Safety: Employers must implement controls and provide appropriate training and PPE, maintain records per local law
Labeling: GHS-compliant hazard labels necessary on all packages
Restrictions: End users must verify suitability for use and compliance with any product-specific restrictions in country of use
