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Material Safety Data Sheet (MSDS): N-Propyl Isocyanate

1. Identification

Product Name: N-Propyl Isocyanate
Chemical Formula: C4H7NO
CAS Number: 1118-71-4
Synonyms: n-Propyl isocyanate, 1-Isocyanatopropane
Recommended Use: Intermediate for organic synthesis, specialty chemicals manufacturing
Manufacturer Information: Refer to label or supplier for address, phone number, and emergency contact details

2. Hazard Identification

Classification: Flammable liquid (Category 3); Acute toxicity, inhalation and dermal (Category 3); Skin corrosion/irritation (Category 2); Eye damage/irritation (Category 2A); Respiratory sensitizer (Category 1); Skin sensitizer (Category 1)
Signal Word: Danger
Hazard Statements: Highly flammable liquid and vapor. Causes severe skin burns and eye damage. May cause allergy or asthma symptoms or breathing difficulties if inhaled. Harmful in contact with skin. May cause allergic skin reaction. Toxic if inhaled.
Precautionary Statements: Avoid breathing vapor or mist. Use only outdoors or in well-ventilated areas. Wear protective gloves, clothing, eye protection, and face protection. Keep away from heat, sparks, open flames, and hot surfaces. Store in a tightly closed container away from incompatible materials. Wash thoroughly after handling. In case of fire, use alcohol-resistant foam, dry chemical, or CO2.

3. Composition / Information on Ingredients

Chemical Name: N-Propyl Isocyanate
CAS Number: 1118-71-4
Concentration: ≥98% by weight
Impurities contributing to hazard: None reported at significant level in standard commercial product
Other components: Unreacted starting materials, traces of by-products possible, less than 0.5% each

4. First Aid Measures

Inhalation: Move person to fresh air. If breathing is difficult, supply oxygen or perform artificial respiration. Seek medical attention immediately. Remove source of exposure.
Skin Contact: Remove contaminated clothing and immediately wash affected area with plenty of soap and water for at least 15 minutes. Seek medical attention if any irritation or allergic symptoms appear.
Eye Contact: Rinse cautiously with water for at least 15 minutes, lifting eyelids occasionally. Remove contact lenses if present and easy to do. Seek immediate medical aid.
Ingestion: Do not induce vomiting. Rinse mouth with water. Give plenty of water to drink if conscious. Call poison control center or physician right away. Never give anything by mouth to an unconscious person.
Note to Physicians: Symptoms may appear after some delay. Treat symptomatically and supportively with attention to airways and respiratory function as isocyanates may cause delayed pulmonary effects.

5. Fire-Fighting Measures

Suitable Extinguishing Media: Alcohol-resistant foam, dry chemical powder, carbon dioxide, or sand. Do not use water jet.
Specific Hazards: Vapor or gases may form explosive mixtures with air. Emits toxic and irritating fumes (nitrogen oxides, carbon monoxide, hydrogen cyanide) when heated to decomposition.
Protective Equipment: Firefighters must wear self-contained breathing apparatus and chemical protective suit. Approach fire from upwind to avoid hazardous vapors.
Fire Fighting Procedure: Use water spray to cool containers exposed to flames but prevent water from entering containers. Remove containers from fire area if it can be done safely.
Combustion Products: Oxides of nitrogen, carbon dioxide, carbon monoxide, traces of hydrogen cyanide

6. Accidental Release Measures

Personal Precautions: Evacuate unnecessary personnel. Wear protective equipment including gloves, goggles, and respirator. Avoid inhalation and skin contact with the material. Prevent spillage from entering drains, soil, or waterway.
Environmental Precautions: Prevent further leakage or spillage if safe to do so. Do not flush to sewer or allow to reach natural water bodies. Contain the spill using non-combustible absorbent materials (sand, soil, vermiculite).
Cleanup Methods: Ventilate the area. Absorb the material into inert dry material and collect in closed, labeled containers. Clean surfaces with detergent and water. Do not reuse containers. Decontaminate area after removal of spilled material.

7. Handling and Storage

Handling: Operate in a chemical fume hood or with appropriate extraction systems. Avoid inhalation of vapors and direct skin contact. Use corrosion-resistant equipment and properly grounded containers. Always use personal protective equipment. Wash hands and face after handling. Avoid splashes and contact with clothing.
Storage: Store tightly sealed in a dry, cool, well-ventilated place away from heat sources, open flames, strong acids and bases, water, alcohols, amines, and oxidizers. Keep container upright and protected from damage. Segregate from incompatible chemicals. Prevent container damage from freezing or excessive heat.

8. Exposure Controls and Personal Protection

Engineering Controls: Use local exhaust ventilation to maintain airborne concentrations below recommended limits. Use closed systems or splash guards where possible.
Exposure Limits: Specific occupational exposure limits for n-Propyl isocyanate not established; use limits for isocyanates (e.g. NIOSH REL: 0.005 ppm for isocyanates)
Personal Protection: Wear chemical-resistant gloves (nitrile or butyl rubber), safety goggles or full-face shield, flame-resistant laboratory coat, and appropriate respiratory protection (minimum: organic vapor cartridge with particulate filter, PAPR or SCBA in case of large spill or insufficient ventilation). Facilities should include eyewash and emergency shower stations.

9. Physical and Chemical Properties

Appearance: Clear, colorless to pale yellow liquid
Odor: Sharp, pungent, acrid odor
pH: Not applicable (reacts with water)
Melting Point/Freezing Point: -80 °C
Boiling Point/Range: 79 °C
Flash Point: 11 °C (closed cup)
Evaporation Rate: No data available
Flammability: Flammable liquid and vapor
Vapor Pressure: 40 mmHg at 20 °C
Vapor Density: 2.3 (air = 1)
Relative Density: 0.92 g/cm3 at 20 °C
Solubility: Reacts with water; miscible with most organic solvents
Partition Coefficient (n-octanol/water): Not determined
Auto-ignition Temperature: 470 °C
Decomposition Temperature: No data available
Viscosity: Not determined

10. Stability and Reactivity

Chemical Stability: Stable under recommended storage conditions.
Reactivity: Highly reactive toward water, alcohols, amines, acids, and bases, producing carbon dioxide and heat, potentially leading to pressure buildup.
Hazardous Reactions: Polymerization may occur under uncontrolled conditions or in the presence of moisture and incompatible substances.
Conditions to Avoid: Heat, open flame, moisture, direct sunlight, and contact with incompatible substances.
Incompatible Materials: Water, alcohols, strong acids and bases, amines, oxidizers.
Hazardous Decomposition Products: Isocyanate vapors, nitrogen oxides, carbon monoxide, and hydrogen cyanide fumes

11. Toxicological Information

Acute Toxicity: Inhalation is harmful or fatal; estimated LC50 (rat, 4 h): 290 ppm. May cause severe respiratory irritation and sensitization. Dermal contact can result in significant irritation and allergic reactions. Oral toxicity LD50 (rat): 640 mg/kg.
Skin Corrosion/Irritation: Causes burns and inflammation, possible sensitization upon repeated exposure. May cause contact dermatitis.
Eye Damage/Irritation: Severe irritation and possible chemical burns, risk of impaired vision.
Respiratory Sensitization: Asthma-like symptoms and risk of sensitization upon repeated inhalation.
Chronic Effects: Prolonged or repeated exposure can cause impairment of lung function and possible chronic respiratory disease.
Carcinogenicity: Not listed by NTP, IARC, or OSHA as a known carcinogen.
Mutagenicity: No data available.
Reproductive Toxicity: No adequate data available; avoid exposure during pregnancy or for those intending to conceive.

12. Ecological Information

Aquatic Toxicity: Toxic to aquatic organisms; acute LC50 (fish): 18 mg/L (estimated). Hydrolyzes in water to produce ureas and carbon dioxide.
Persistence and Degradability: Decomposes in contact with water; not persistent under environmental conditions but intermediates may be harmful.
Bioaccumulation Potential: Low, as hydrolysis products do not tend to accumulate in living organisms.
Mobility in Soil: Rapid reaction with soil moisture suggests low mobility as parent compound.
Other Adverse Effects: By-products of degradation may contribute to oxygen depletion in water bodies. Avoid uncontrolled release to the environment.

13. Disposal Considerations

Disposal Methods: Incinerate in a chemical incinerator equipped with afterburner and scrubber. Waste must be disposed of in accordance with local, regional, and national regulations. Never dispose of in the environment or in drains.
Contaminated Packaging: Empty containers need decontamination before disposal or recycling. Do not reuse packaging for other purposes. Label containers clearly.
Precautions: Handle waste with full protective equipment. Observe safe handling practices for reactive and flammable chemicals throughout the waste treatment process.

14. Transport Information

UN Number: UN2480
Proper Shipping Name: Isocyanates, Toxic, Flammable, Liquid, N.O.S. (Contains N-Propyl Isocyanate)
Hazard Class: 6.1 (Toxic substances), 3 (Flammable liquids)
Packing Group: I (high danger)
Labels Required: Toxic, Flammable Liquid
Transport in Bulk: Follow MARPOL, IBC Code as applicable.
Environmental Hazards: Marine pollutant, requires proper containment to prevent spills.
Special Precautions: Ensure secure closure and containment. Avoid exposure to high temperatures and sources of ignition during transport. Emergency response guide required during shipping.

15. Regulatory Information

OSHA: Regulated as a hazardous material under the Hazard Communication Standard.
TSCA: Listed in the US Toxic Substances Control Act (TSCA) inventory.
SARA Title III: Subject to reporting under Section 313 (isocyanates category).
RCRA: Waste may be regulated as hazardous under Resource Conservation and Recovery Act.
EPA: Clean Air Act Section 112: isocyanates identified as hazardous air pollutants.
International Regulations: Subject to regulation under REACH (EU), DSL/NDSL (Canada), and other national chemical inventories. Transport regulations apply as per UN, IMO, ADR, IATA guidelines.
Additional Information: Safety data and restrictions may differ by region. Always check relevant local, state, and national regulations before use, disposal, or transport.