1-Hexanethiol MSDS

Identification

Product Name: 1-Hexanethiol
Synonyms: Hexyl mercaptan
Chemical Formula: C6H14S
CAS Number: 111-31-9
Recommended Use: Used as chemical intermediate, solvent, additives in specialties
Supplier Details: Manufacturer contact name, address, phone, and emergency number listed on label
Emergency Contact Instructions: Chemtrec and local emergency numbers displayed

Hazard Identification

GHS Classification: Flammable liquids (Category 3), Acute toxicity oral (Category 3), Skin corrosion/irritation (Category 2), Specific target organ toxicity - single exposure (Category 3)
Pictograms: Flame, Skull and Crossbones, Exclamation Mark
Signal Word: Danger
Hazard Statements: Toxic if swallowed, causes skin irritation, may cause drowsiness or dizziness, flammable liquid and vapor
Precautionary Statements: Avoid breathing vapors, wash thoroughly after handling, keep away from open flames, use only outdoors or in well-ventilated area, wear protective gloves and eye protection
Routes of Exposure: Inhalation, ingestion, skin and eye contact
Symptoms: Burning sensation, headache, drowsiness, nausea, vomiting, abdominal pain
Environmental Hazards: Harmful to aquatic life, volatile and can contaminate air if not contained

Composition / Information on Ingredients

Chemical Name: 1-Hexanethiol
Chemical Formula: C6H14S
CAS Number: 111-31-9
Purity: ≥99%
Other Constituents: No significant impurities contributing to classification

First Aid Measures

Inhalation: Remove person to fresh air quickly, keep breathing easy. If not breathing, provide artificial respiration and call for medical help.
Skin Contact: Take off contaminated clothing, wash skin with soap and water for at least 15 minutes. Get attention if irritation persists.
Eye Contact: Rinse cautiously with water for several minutes, remove contact lenses if present and easy to do, continue rinsing until discomfort ceases and call a doctor.
Ingestion: Do not induce vomiting. Rinse mouth with water, seek medical advice right away.
Advice to Physicians: Treat symptoms, potential for delayed lung effects from vapor exposure.

Fire-Fighting Measures

Suitable Extinguishing Media: Use dry chemical, foam, carbon dioxide, water spray. Never use a direct stream of water.
Hazards Arising from Fire: Vapors may form explosive mixtures with air; combustion produces sulfur oxides and carbon oxides.
Protective Equipment and Precautions: Wear full protective gear, use self-contained breathing apparatus. Stay upwind, prevent runoff from entering drains or watercourses.
Special Firefighting Actions: Cool containers with flooding amounts of water, keep distance from heated containers, may violently rupture in fire.

Accidental Release Measures

Personal Precautions: Evacuate area, wear protective clothing, avoid breathing vapors.
Containment: Dike spill using inert material, prevent entry into sewers and waterways.
Cleanup: Absorb with non-combustible material (earth, sand, vermiculite), collect in approved containers for disposal. Ventilate area.
Environmental Impact: Notify authorities where required, fully contain to prevent soil or water contamination.

Handling and Storage

Handling: Handle in well-ventilated area. Keep away from heat, sparks, open flames. Use explosion-proof equipment. No smoking. Avoid contact with skin and eyes. Do not breathe vapors.
Hygiene Practices: Wash hands thoroughly after use, change clothes if contaminated, keep food and beverages away from work area.
Storage: Store in tightly closed container in cool, dry, well-ventilated place. Ground and bond container and receiving equipment. Keep away from incompatible substances like strong oxidizers, acids.
Specific End Use(s): Follow industrial and laboratory good practice protocols.

Exposure Controls and Personal Protection

Control Parameters: No established OSHA or ACGIH exposure limits, use industry hygiene standards and limit vapor exposure.
Engineering Controls: Local exhaust ventilation, explosion-proof electrical lighting and equipment, containment.
Personal Protective Equipment: Protective gloves (nitrile or chemical-resistant material), splash goggles, flame-resistant clothing or lab coat. Use organic vapor respirators if exposure limits exceeded or ventilation inadequate.
Environmental Controls: Prevent vapor or contaminated water from entering drains, monitor air quality.

Physical and Chemical Properties

Appearance: Colorless to pale yellow liquid
Odor: Strong, foul mercaptan odor
Odor Threshold: Noticeably strong odor at very low concentrations
Melting Point/Freezing Point: -101°C
Boiling Point: 151°C
Flash Point: 43°C (closed cup)
Flammability: Flammable liquid and vapor
Vapor Pressure: 6 mmHg at 25°C
Vapor Density: 3.9 (Air = 1)
Relative Density: 0.827 g/cm³ at 25°C
Solubility: Insoluble in water, soluble in most organic solvents
Partition Coefficient (n-octanol/water): 2.85
Auto-ignition Temperature: 225°C
Decomposition Temperature: Not established
Evaporation Rate: Not available

Stability and Reactivity

Chemical Stability: Stable under recommended storage and handling conditions; sensitive to air and light over time.
Possibility of Hazardous Reactions: Can react with strong oxidizers, acids, initiates exothermic reactions.
Conditions to Avoid: Open flames, sparks, heat, direct sunlight, air exposure.
Incompatible Materials: Oxidizing agents, acids, halogens.
Hazardous Decomposition Products: Sulfur oxides, carbon oxides, toxic fumes if heated or combusted.

Toxicological Information

Likely Routes of Exposure: Inhalation, skin contact, eye contact, ingestion
Acute Toxicity: Oral LD50 (rat): ~88 mg/kg; Dermal LD50 (rabbit): data not fully reported; Inhalation may cause severe respiratory irritation.
Skin Corrosion/Irritation: Causes moderate skin irritation, may be absorbed through skin.
Serious Eye Damage/Irritation: Severe irritation, pain, redness, possible damage.
Respiratory Sensitization: Strong odor may induce coughing and headache, possible central nervous system effects.
Germ Cell Mutagenicity: No data available.
Reproductive Toxicity: No specific data available.
Specific Target Organ Toxicity: Can affect central nervous system and respiratory tract.
Symptoms of Exposure: Drowsiness, headache, nausea, burning sensation, coughing.
Carcinogenicity: Not listed by IARC, NTP, or OSHA.

Ecological Information

Ecotoxicity: Harmful to aquatic life even at low concentrations, prevents normal oxygen transfer in water.
Persistence and Degradability: Not fully biodegradable, but some breakdown in soil and water under aerobic conditions.
Bioaccumulation Potential: Low to moderate, based on log Kow value.
Mobility in Soil: Low water solubility, tends to adsorb to soil particles.
Other Harmful Effects: Volatility can impact air quality locally near spill or release.

Disposal Considerations

Waste Treatment Methods: Dispose by incineration or through hazardous waste collection programs. Neutralize only under controlled conditions by qualified professionals.
Contaminated Packaging: Drain thoroughly and deliver to approved waste handler for recycling or disposal. Never reuse empty container.
Environmental Precautions: Do not discharge to natural waters, sewers, or soil; comply with local, state, and national regulations.

Transport Information

UN Number: UN3334
Proper Shipping Name: Aviation regulated liquid, n.o.s. (Hexanethiol)
Transport Hazard Class: 3 (Flammable liquids)
Packing Group: III
Environmental Hazards: Marine pollutant
Special Precautions: Emergency schedules for spills, legal shipping papers must note hazard, segregation from incompatible loads.
Transport in Bulk: Follows MARPOL 73/78 and IBC Code recommendations.

Regulatory Information

TSCA: Listed on United States TSCA Chemical Substance Inventory
SARA Title III: Immediate health hazard, fire hazard – Sections 302/313 may apply in large quantities
California Prop 65: Not listed
REACH status: Registered under EU REACH
Other International Lists: Appears on domestic chemical inventories including DSL (Canada), EINECS (Europe), AICS (Australia), ENCS (Japan)
Labelling: Complies with OSHA Hazard Communication Standard, GHS, and other national standards