Material Safety Data Sheet for 2-Octanethiol

Identification

Product Name: 2-Octanethiol
Chemical Formula: C8H18S
Synonyms: Octane-2-thiol, 2-Mercaptooctane
CAS Number: 111-88-6
Recommended Use: Industrial chemical, laboratory reagent, intermediate for organic synthesis
Supplier: No supplier listed, check packaging or consult distributor
Emergency Contact: National Poison Control center, local fire department, or your company’s EHS office

Hazard Identification

GHS Classification: Flammable liquid (Category 3), Acute toxicity oral (Category 4), Skin irritation (Category 2), Eye irritation (Category 2A), Acute aquatic toxicity (Category 2)
Signal Word: Warning
Hazard Statements: Flammable liquid and vapor, harmful if swallowed, causes skin irritation, causes serious eye irritation, toxic to aquatic life with long lasting effects
Pictograms: Flame, Exclamation mark, Environment
Precautionary Statements: Keep away from ignition sources, wear protective gloves and eye protection, avoid release to the environment, wash hands thoroughly after handling, do not eat or drink while using this product

Composition / Information on Ingredients

Chemical Name: 2-Octanethiol
Concentration: >98% (purity may vary by source)
Impurities: Hydrocarbons, lighter mercaptans, unreacted octane isomers (typically <2%)
Stabilizing Additives: None known

First Aid Measures

Inhalation: Move to fresh air, monitor breathing, give oxygen if available, seek immediate medical advice if breathing difficulty develops
Skin Contact: Remove contaminated clothing, wash affected area with soap and water, seek medical attention if irritation develops or persists
Eye Contact: Rinse cautiously with water for several minutes, remove contact lenses if possible, continue rinsing, get prompt medical attention
Ingestion: Rinse mouth, do not induce vomiting, seek medical care, provide information about product
Symptoms and Effects: Nausea, headache, dizziness, skin or eye irritation, potential CNS depression with significant exposure
Medical Attention: Symptomatic and supportive treatment, monitor for allergic or delayed symptoms

Fire-Fighting Measures

Suitable Extinguishing Media: Carbon dioxide, dry chemical, foam, alcohol-resistant foam
Unsuitable Media: Do not use water jet
Specific Hazards: Releases toxic sulfur oxides, flammable vapors may form explosive mixtures with air
Protective Equipment: Self-contained breathing apparatus, full protective gear
Advice for Firefighters: Isolate area, use standard firefighting techniques for flammable liquids, prevent run-off from entering waterways
Combustion Products: Sulfur oxides, carbon monoxide, carbon dioxide, various organic sulfur compounds
Explosion Data: Vapors heavier than air, may travel along ground and flash back to ignition source

Accidental Release Measures

Personal Precautions: Remove ignition sources, ventilate area, wear gloves, eye protection, and suitable respiratory protection
Environmental Precautions: Prevent release into drains, soil, surface water; notify authorities if significant spill occurs
Cleanup Methods: Absorb with inert material such as sand or vermiculite, place in closed container for disposal
Decontamination: Clean area with detergent and plenty of water, ventilate thoroughly
Special Considerations: Use non-sparking tools, avoid breathing vapors, ensure area is fully cleared before resuming normal operations

Handling and Storage

Handling: Handle in well-ventilated area, ground/bond containers and equipment, avoid contact with eyes/skin, wash hands after use
Safe Storage: Keep container tightly closed in a cool, dry, well-ventilated place away from heat and ignition sources
Incompatible Materials: Oxidizing agents, acid chlorides, acid anhydrides, strong acids
Container Materials: Use steel or compatible plastic, inspect regularly for leaks or degradation
Other Precautions: Label all containers clearly, restrict access to trained personnel

Exposure Controls and Personal Protection

Occupational Exposure Limits: No established OSHA or ACGIH TLV; use lowest practical exposure based on analogy to similar mercaptans
Engineering Controls: Local exhaust ventilation, fume hoods for laboratory work
Personal Protective Equipment: Chemical-resistant gloves (nitrile recommended), safety goggles, flame-retardant lab coat, face shield where splashes likely
Respiratory Protection: NIOSH-approved organic vapor respirator if airborne levels exceed control limits
Hygiene Measures: Wash hands thoroughly after handling, do not eat or drink near material, launder work clothing separately

Physical and Chemical Properties

Appearance: Colorless to pale yellow liquid
Odor: Strong, unpleasant mercaptan, rotting cabbage-like
Odor Threshold: Extremely low (may be detected at ppb levels)
pH: Not applicable
Melting Point: -48°C
Boiling Point: 192°C
Flash Point: 76°C (closed cup)
Evaporation Rate: Slower than ether
Flammability: Flammable liquid
Upper/Lower Explosion Limits: Not determined
Vapor Pressure: 0.3 mmHg at 25°C
Vapor Density: 4.1 (air = 1)
Relative Density: 0.84 g/cm³ at 20°C
Solubility: Slightly soluble in water, miscible with organic solvents
Partition Coefficient log Kow: ~3.5
Autoignition Temperature: 230°C
Decomposition Temperature: Not determined
Viscosity: Not determined

Stability and Reactivity

Chemical Stability: Stable under recommended storage conditions
Reactivity: Can react with oxidizers, generates heat and toxic gases on combustion
Conditions to Avoid: Heat, sparks, open flames, sources of ignition, contact with incompatible materials
Hazardous Decomposition Products: Sulfur oxides, carbon oxides, possibly hydrogen sulfide
Polymerization: Not known to occur under normal conditions

Toxicological Information

Likely Routes of Exposure: Inhalation, skin contact, eye contact, ingestion
Acute Toxicity: LD50 oral (rat): approximately 1,000 mg/kg
Skin Corrosion/Irritation: Causes moderate to severe irritation with possible blistering
Serious Eye Damage/Irritation: Causes moderate to marked irritation
Respiratory Sensitization: Not classified, but high vapor concentrations may cause respiratory tract irritation
Specific Target Organ Toxicity: May affect central nervous system and liver with sustained or high-level exposure
Carcinogenicity: Not listed as a carcinogen by IARC, NTP, or OSHA
Other Effects: Prolonged exposure may cause dermatitis, headache, drowsiness

Ecological Information

Toxicity: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Persistence and Degradability: Expected to degrade in the environment, but with potential persistence in soil and water
Bioaccumulation: May bioaccumulate in aquatic organisms due to moderate log Kow
Mobility in Soil: Moderate mobility due to low water solubility, possible volatilization
Other Adverse Effects: Hydrogen sulfide gas formation in anaerobic zones may impact local fauna and flora

Disposal Considerations

Disposal Methods: Dispose at a licensed chemical waste facility, follow federal, state, and local regulations
Container Disposal: Triple rinse empty vessels, puncture or crush, send for proper recycling or disposal
Special Instructions: Do not discharge into waterways, drains, or public sewers
Contaminated Packaging: Handle as hazardous waste; incinerate or handle as directed by permit authority

Transport Information

UN Number: UN3334
Proper Shipping Name: Aviation regulated liquid, n.o.s. (contains 2-Octanethiol)
Transport Hazard Class: 9 (Miscellaneous Dangerous Goods)
Packing Group: III
Labels: Miscellaneous (9)
Transport Precautions: Secure packaging, keep away from heat, avoid rough handling, emergency procedures in case of spill or fire
IMDG, IATA, DOT: Classified as dangerous, seek current regulations for limits and procedures

Regulatory Information

TSCA: Listed
SARA Title III: Not regulated as an extremely hazardous substance; general notification may apply for large releases
California Proposition 65: Not listed
EU Regulations: CLP classified for flammability and toxicity, subject to REACH pre-registration
Other National Regulations: Refer to local chemical safety requirements
Workplace Safety: Training on handling flammable and toxic organosulfur compounds required