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Product Name: 1-Octanethiol
Synonyms: 1-Mercaptooctane, Octyl mercaptan
CAS Number: 111-88-6
Recommended Use: Laboratory chemicals, industrial applications, chemical synthesis
Supplier: Listed under relevant section with emergency contact details
Emergency Contact: Refer to national poison control center or company response line
GHS Classification: Flammable liquid (Category 3), Acute toxicity oral (Category 4), Acute toxicity dermal (Category 4), Skin corrosion/irritation (Category 2), Eye irritation (Category 2A), Specific target organ toxicity-single exposure (Category 3), Aquatic acute (Category 1), Aquatic chronic (Category 1)
Label Elements: Signal word: Danger
Hazard Statements: Causes skin and eye irritation, harmful if swallowed or in contact with skin, causes drowsiness or dizziness, highly toxic to aquatic life, flammable liquid and vapor
Pictograms: Flame, exclamation mark, environment
Precautionary Statements: Avoid breathing vapors, use only outdoors or in a well-ventilated area, keep away from heat or open flames, avoid release to the environment, wear protective gloves and eye protection
Chemical Name: 1-Octanethiol
Concentration: ≥98%
Molecular Formula: C8H18S
Molecular Weight: 146.3 g/mol
Impurities: Trace hydrocarbons and other thiols (<1%)
Inhalation: Move affected individual to fresh air, provide oxygen for breathing difficulty, seek medical attention for persistent symptoms
Skin Contact: Immediately wash with soap and plenty of water for at least 15 minutes, remove contaminated clothing, consult a physician
Eye Contact: Rinse thoroughly with plenty of water for at least 15 minutes, lift eyelids occasionally, seek medical advice
Ingestion: Do not induce vomiting, rinse mouth with water, seek immediate medical assistance, never give anything by mouth to an unconscious person
Symptoms: Irritation of skin, eyes, respiratory tract, headache, drowsiness, nausea
Suitable Extinguishing Media: Foam, dry chemical powder, carbon dioxide, alcohol-resistant foam, water spray (for large fires only)
Unsuitable Media: Strong water jets
Specific Hazards: Vapors form explosive mixtures with air, combustion produces toxic gases such as sulfur oxides, carbon monoxide, carbon dioxide
Protective Equipment: Firefighters wear self-contained breathing apparatus and chemical protective clothing
Special Procedures: Cool containers with water from a safe distance, prevent firefighting runoff from entering water courses
Personal Precautions: Evacuate area, avoid contact with skin or eyes, ventilate affected area, keep unprotected personnel away
Protective Equipment: Use splash goggles, chemically resistant gloves, impervious clothing, suitable respirator
Environmental Precautions: Prevent entry into sewers, surface and groundwater by diking, inform appropriate environmental authorities
Methods for Clean Up: Absorb with inert material such as dry sand or earth, transfer to suitable closed chemical waste container, ventilate area and wash spill site
Decontamination: Wash area with detergent and water, dispose all cleaning materials safely
Handling: Work in a chemical fume hood or well-ventilated space, avoid inhalation, contact with skin or eyes, keep away from sources of ignition, use non-sparking tools and grounded equipment, do not eat or drink during use
Storage: Store in tightly closed containers in a cool, dry, well-ventilated area, away from strong oxidizing agents, acids, or alkalis, store away from food and drink, segregate incompatible materials, keep away from direct sunlight or heat
Special Instructions: Use spark-proof tools and explosion-proof equipment, ground/bond containers, only transfer in areas with adequate containment
Occupational Exposure Limits: No OSHA PEL or ACGIH TLV specifically listed, use local workplace guidelines if available
Engineering Controls: Provide exhaust ventilation or handle in a fume hood, use spark mitigation on electrical equipment
Respiratory Protection: NIOSH/MSHA-approved full-face respirator with organic vapor cartridge if exposure limits are exceeded or ventilation is inadequate
Skin Protection: Wear nitrile or butyl rubber gloves, long-sleeved impervious clothing, chemical-resistant shoes
Eye Protection: Chemical safety goggles with side shields or full-face shield
Hygiene Measures: Wash hands and forearms after handling, remove contaminated clothing and wash before reuse, no eating, drinking, or smoking in use areas
Appearance: Colorless to pale yellow liquid
Odor: Strong, unpleasant, mercaptan-like odor
Odor Threshold: Low, distinguishable at very low concentrations
pH: Not applicable
Melting Point: -52°C
Boiling Point: 195–197°C
Flash Point: 70°C (closed cup)
Evaporation Rate: Not available
Flammability: Flammable liquid
Vapor Pressure: 0.27 mmHg at 25°C
Vapor Density: 5.0 (air = 1)
Relative Density: 0.84 g/cm³
Solubility: Insoluble in water, soluble in alcohols, ethers, and other organic solvents
Partition Coefficient: log Pow 3.6
Auto-ignition Temperature: 225°C
Decomposition Temperature: Not determined
Viscosity: Not available
Chemical Stability: Stable under recommended storage conditions
Reactivity: Reacts with strong oxidizing agents, produces toxic gases upon decomposition
Conditions to Avoid: Heat, flames, sparks, open ignition sources, incompatible substances
Incompatible Materials: Oxidizing agents, acids, bases, halogens
Hazardous Decomposition Products: Sulfur oxides, hydrogen sulfide, carbon monoxide, carbon dioxide
Polymerization: Not known to occur
Routes of Exposure: Inhalation, ingestion, skin and eye contact
Acute Toxicity: LD50 (oral, rat) ~700 mg/kg, LD50 (dermal, rabbit) >2000 mg/kg
Skin Irritation: Causes redness, pain, possible blistering
Eye Effects: Causes redness, watering, discomfort on contact
Chronic Toxicity: No established long-term studies, potential target organ effects on repeated exposure
Symptoms: Dizziness, nausea, headache, irritation of mucous membranes
Sensitization: Not classified as a skin sensitizer, but contact dermatitis reported
Carcinogenicity: Not listed as a carcinogen by IARC, NTP, OSHA
Mutagenicity and Reproductive Effects: No data indicating mutagenic or teratogenic effects
Aquatic Toxicity: Highly toxic to aquatic life, EC50 for daphnia and fish below 1 mg/L
Persistence and Degradability: Not readily biodegradable, potential for long-term hazards in the aquatic environment
Bioaccumulative Potential: High log Pow indicates potential for bioaccumulation in organisms
Mobility in Soil: Low water solubility, may persist and migrate through environment
Other Adverse Effects: Avoid uncontrolled release into water, recommended robust containment and disposal systems
Waste Disposal: Collect and dispose in accordance with local, regional, or national legislation, incineration in an approved chemical waste facility preferred
Container Disposal: Triple rinse empty containers, puncture and deliver for recycling or management as hazardous waste
Notice: Do not dispose of in drains, water courses, or general waste streams, ensure proper labeling for disposal containers
Recommended Waste Codes: Contact local environmental authorities for assignment, may use hazardous waste codes for organic sulfides
UN Number: UN 3335
UN Proper Shipping Name: Octanethiols
Transport Hazard Class: 3 (Flammable liquids)
Packing Group: III
Environmental Hazards: Marine pollutant
Special Precautions: Package tightly, avoid leaks, clearly label all transport containers, keep away from foodstuffs and feed during transport, follow ADR/RID, IMDG, IATA regulations
TSCA Status: Listed on TSCA inventory
REACH Registration: Subject to REACH regulations in the EU, notification and registration required for quantities above threshold
SARA Title III: Not listed for Sections 302/304 (EHS), subject to Section 313 reporting
California Prop 65: Not identified as a known carcinogen or reproductive toxin
WHMIS Classification: B3: Combustible Liquid, D2B: Toxic Material Causing Other Toxic Effects
Other Labeling: Requires GHS labeling in workplaces, specific hazard language for US OSHA, EU CLP, and Canadian WHMIS jurisdictions
