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Product Name: Allyl Isothiocyanate
Synonyms: Mustard oil, 3-Isothiocyanato-1-propene
CAS Number: 57-06-7
Recommended Use: Flavor ingredient, chemical intermediate, laboratory reagent
Supplier: Information provided by chemical manufacturer, distributor, or wholesaler
Emergency Contact: Use your regional poison control number or local emergency response service
Classification: Flammable Liquid (Category 3), Acute Toxicity (Oral, Category 3), Skin Irritation (Category 2), Eye Irritation (Category 2A), Acute Toxicity (Inhalation, Category 4), Environmental Hazard (Acute aquatic toxicity, Category 2)
Signal Word: Danger
Hazard Symbols: Flame, Exclamation mark, Skull and crossbones, Environment
Hazard Statements: Highly flammable liquid and vapor. Toxic if swallowed. Causes skin irritation. Causes serious eye irritation. Harmful if inhaled. Toxic to aquatic life.
Precautionary Statements: Keep away from heat, sparks, and open flames. Wear protective gloves, clothing, and eye/face protection. Do not breathe vapors or spray. Avoid release to the environment. If exposed or concerned, seek immediate medical advice.
Chemical Name: Allyl Isothiocyanate
Chemical Formula: C4H5NS
Concentration: 98-100%
Impurities: Trace organic compounds depending on source
Molecular Weight: 99.16 g/mol
Inhalation: Move person to fresh air. Provide oxygen if breathing is difficult. Get medical attention right away.
Skin Contact: Remove contaminated clothes and shoes. Rinse skin with plenty of water for at least 20 minutes. Seek medical advice for persistent irritation or burns.
Eye Contact: Rinse cautiously with water for at least 15 minutes, hold eyelids apart. Remove contact lenses if present and easy to do. Get immediate medical assessment.
Ingestion: Do not induce vomiting. Rinse mouth with water. Seek medical attention right away.
Symptoms: Burning sensations, coughing, difficulty breathing, redness, swelling, blistering for skin and eyes, nausea or vomiting for ingestion or inhalation.
Suitable Extinguishing Media: Alcohol-resistant foam, dry chemical powder, carbon dioxide, water spray applied as fog
Unsuitable Extinguishing Media: Direct water jet
Specific Hazards: Vapors may form explosive mixtures with air. Hazardous decomposition can produce toxic gases: hydrogen cyanide, nitrogen oxides, sulfur oxides.
Protective Equipment: Use self-contained breathing apparatus, chemically resistant clothing.
Other Firefighting Advice: Evacuate area, keep containers cool with water, prevent runoff from contaminating water.
Personal Precautions: Evacuate unnecessary personnel, ventilate area, avoid breathing vapors.
Environmental Precautions: Prevent entry to sewers, surface waters, or soil.
Methods for Clean Up: Absorb spillage with non-combustible inert material such as sand or vermiculite, then transfer to sealed containers. Clean area with detergent solution.
Disposal: Dispose of in accordance with local, regional, national, and international regulations.
Handling: Transport in properly labeled containers. Wear appropriate protective equipment. Work in a well-ventilated area. Avoid release to the environment.
Storage: Keep container tightly closed in a cool, dry, and well-ventilated place. Store away from sources of ignition. Keep separate from strong oxidizers and acids.
Incompatible Materials: Strong acids, strong oxidizing agents, reducing agents.
Exposure Limits: ACGIH TLV: 0.02 ppm (skin), OSHA PEL: none established
Engineering Controls: Use local exhaust ventilation to minimize vapor exposure. Safety showers and eyewash stations available in the area.
Personal Protective Equipment: Chemical-resistant gloves (nitrile or neoprene), flame retardant lab coat, eye protection (goggles or face shield), respiratory protection if adequate ventilation is not ensured.
Hygiene Measures: Wash hands thoroughly after handling. Contaminated clothing should not be reused until after proper cleaning.
Appearance: Colorless to pale yellow oily liquid
Odor: Pungent, mustard-like
Odor Threshold: Strong, detectable at very low levels
pH: Not applicable
Melting Point/Freezing Point: −80 °C
Boiling Point: 146 °C
Flash Point: 45 °C (open cup)
Evaporation Rate: Not determined
Flammability: Flammable liquid
Vapor Pressure: 4 mmHg at 25 °C
Vapor Density: 3.4 (air = 1)
Relative Density: 1.018 g/cm³
Solubility: Slightly soluble in water; soluble in ethanol, ether
Partition Coefficient (n-octanol/water): 1.62
Auto-ignition Temperature: 230 °C
Decomposition Temperature: Not specified
Viscosity: Not determined
Chemical Stability: Stable under recommended conditions.
Reactivity: Reacts vigorously with oxidizing agents and acids.
Hazardous Reactions: Possible violent reaction with incompatible substances. May form toxic fumes if heated or in contact with acids.
Hazardous Decomposition Products: Hydrogen cyanide, ammonia, sulfur oxides, nitrogen oxides.
Conditions to Avoid: Open flames, high temperatures, sparks, powerful oxidizers.
Acute Toxicity: LD50 Oral (rat): 151 mg/kg, LD50 Dermal (rabbit): 270 mg/kg, LC50 Inhalation (rat): 1.17 mg/l (4 h)
Routes of Exposure: Inhalation, ingestion, skin contact, eye contact
Symptoms: Significant irritation and pain to skin and eyes, respiratory distress, possible chemical burns and blistering
Chronic Toxicity: Repeated or prolonged exposure may cause dermatitis, sensitization, and respiratory issues. No conclusive evidence of carcinogenicity reported.
Other Information: May cause severe damage to mucous membranes. People with pre-existing conditions such as asthma may experience aggravated effects.
Ecotoxicity: Toxic to aquatic life, fish LC50 (Lepomis macrochirus): 1.4 mg/L (96 h), Daphnia LC50: 0.74 mg/L (48 h)
Persistence and Degradability: No significant bioaccumulation expected; moderate persistence in environment
Bioaccumulative Potential: Low to moderate, log Kow: 1.62
Mobility in Soil: Likely to volatilize from water and soil surfaces
Other Effects: Avoid use where runoff can reach water bodies. High concentrations may be acutely hazardous to aquatic organisms.
Disposal Methods: Burn in compliant chemical incinerator with afterburner and scrubber. Do not dispose of down the drain or in open environment.
Container Disposal: Triple rinse, then puncture and dispose according to hazardous waste regulations.
Additional Considerations: Follow all local, regional, and national environmental regulations regarding hazardous waste.
UN Number: UN1543
UN Proper Shipping Name: Allyl Isothiocyanate
Transport Hazard Class: 6.1 (Toxic substances), 3 (Flammable liquid)
Packing Group: II
Marine Pollutant: Yes
Label(s) Required: Toxic, Flammable Liquid
Special Precautions: Secure upright, ventilate well, avoid stacking heavy loads, keep away from incompatible materials.
TSCA: Listed
REACH: Registered or compliant (check specific supplier details for registration)
SARA Title III: Acute Health Hazard, Fire Hazard
California Proposition 65: Not listed
OSHA: Covered under Hazard Communication Standard
EU Classification: T (Toxic), Xi (Irritant), N (Dangerous for the environment)
Other Regulatory Compliance: Observe all applicable local, state, and federal laws for storage, use, and disposal.
