Material Safety Data Sheet for 1-Octanethiol

Identification

Product Name: 1-Octanethiol
Synonyms: n-Octyl mercaptan
Chemical Formula: C8H18S
CAS Number: 111-88-6
Recommended Use: Intermediate, organic synthesis, chemical reagent
Manufacturer: Contact information located on the product label
Emergency Phone Number: Provided by product supplier or local poison control center

Hazard Identification

Classification (GHS): Flammable liquids (Category 3), Acute toxicity - Oral (Category 4), Acute toxicity - Dermal (Category 4), Skin corrosion/irritation (Category 2), Serious eye damage/eye irritation (Category 2A), Specific target organ toxicity – Single exposure (Category 3), Hazardous to the aquatic environment, acute (Category 2)
Signal Word: Warning
Hazard Statements: Flammable liquid and vapor. Harmful in contact with skin or if swallowed. Causes skin and eye irritation. May cause respiratory irritation. Toxic to aquatic life.
Pictograms: Flame, Exclamation Mark, Environment
Precautionary Statements: Keep away from heat and open flames. Use personal protective equipment. Avoid release to the environment. Avoid breathing vapors and contact with skin or eyes.

Composition / Information on Ingredients

Chemical Name: 1-Octanethiol
CAS Number: 111-88-6
Concentration: 100%
Impurities: Any trace impurities are not relevant for GHS classification

First Aid Measures

Inhalation: Take the affected person outdoors, place in fresh air, and help keep them calm. Seek immediate medical advice if symptoms develop.
Skin Contact: Remove any contaminated clothing; rinse affected skin thoroughly with plenty of water and soap for at least 15 minutes. Medical attention may be needed for irritation.
Eye Contact: Rinse cautiously with water for at least 15 minutes, keeping eyelids open. Remove contact lenses if possible. Prompt medical attention helps reduce risk.
Ingestion: Rinse mouth, do not induce vomiting. Never give anything by mouth to an unconscious person. Seek medical attention immediately.
Important Symptoms: Irritation, redness, coughing, nausea, headache. Medical professionals may monitor for delayed effects.

Fire-Fighting Measures

Suitable Extinguishing Media: Carbon dioxide, dry chemical powder, alcohol-resistant foam, water spray (do not use water jet).
Special Hazards: Vapors may form explosive mixtures with air; heating causes pressure build-up and risk of rupture. Burning can produce toxic sulfur oxides.
Advice for Firefighters: Wear self-contained breathing apparatus, protective suit. Move containers from fire if safe. Cool affected containers with water spray. Avoid inhaling combustion gases.

Accidental Release Measures

Personal Precautions: Evacuate unnecessary personnel. Use personal protective gear, including gloves, goggles, proper ventilation. Remove all sources of ignition.
Environmental Precautions: Prevent spill from entering sewers, surface water, or groundwater; dike area if possible.
Methods for Clean Up: Contain and absorb using non-combustible inert material (e.g., sand, vermiculite). Shovel into proper chemical waste container for disposal. Wash contamination area with detergent and water, ventilate well.

Handling and Storage

Handling: Avoid inhaling vapors, fumes, or mist. Work under fume hood or well-ventilated area. Keep away from open flames, hot surfaces, and other sources of ignition. No smoking during use. Ground all equipment to prevent static discharge.
Storage: Store in tightly closed original container in a cool, dry, well-ventilated area, away from incompatible materials such as oxidizers and acids. Keep container tightly closed when not in use. Segregate from food, beverages, and animal feed. Avoid unnecessary exposure.

Exposure Controls and Personal Protection

Control Parameters: No specific occupational exposure limits set by OSHA, ACGIH, or NIOSH. Local ventilation requirements depend on process.
Engineering Controls: Use explosion-proof ventilation and local exhaust, fume hood for laboratory use.
Personal Protective Equipment: Chemical-resistant gloves (nitrile, neoprene), safety goggles, lab coat, flame-resistant clothing as necessary. Use approved respirator (organic vapor cartridge) if ventilation is inadequate.
Hygiene Measures: Wash hands and face after use; remove contaminated clothing and launder before reuse. Do not eat, drink, or smoke while handling product.

Physical and Chemical Properties

Appearance: Colorless to pale yellow liquid
Odor: Strong, disagreeable (typical mercaptan)
Odor Threshold: Low, easily detected
pH: Not applicable (non-aqueous)
Melting Point: -38°C
Boiling Point: 198°C
Flash Point: 85°C (closed cup)
Evaporation Rate: Not available
Flammability: Flammable
Upper/Lower Flammability Limits: Not available
Vapor Pressure: 0.36 mmHg at 25°C
Vapor Density: 4.6 (air = 1)
Specific Gravity/Density: 0.84 g/cm³ at 20°C
Solubility in Water: Negligible
Partition Coefficient (n-octanol/water): High, favors octanol
Decomposition Temperature: Not determined
Viscosity: Not determined
Other Properties: Forms explosive mixtures with air under certain conditions

Stability and Reactivity

Chemical Stability: Product remains stable in normal storage and handling temperatures under dry, uncontaminated conditions.
Reactivity: Reacts vigorously with strong oxidizing agents and acids, releasing toxic gases including sulfur oxides.
Conditions To Avoid: Heat, open flames, spark sources, static electricity, and incompatible materials.
Hazardous Decomposition Products: Exposure to combustion or high temperatures yields sulfur dioxide and other harmful vapors.
Polymerization: Not known to occur under standard conditions.

Toxicological Information

Routes of Exposure: Inhalation, skin and eye contact, ingestion
Acute Toxicity: LD50 oral rat: 800 mg/kg; LD50 dermal rabbit: >2000 mg/kg
Skin/Eye Irritation: Produces moderate to strong irritation in contact with skin and eyes, redness and pain typical signs.
Respiratory Effects: Inhalation of vapors gives headache, nausea, drowsiness, respiratory tract irritation.
Chronic Exposure: No data suggests carcinogenicity, mutagenicity; prolonged contact increases dermatitis risk.
Sensitization: Repeated or prolonged contact can cause allergic reaction.
Other Data: Not listed as probable carcinogen by IARC, NTP, OSHA.

Ecological Information

Ecotoxicity: Harmful to aquatic organisms, may cause long-term adverse effects in aquatic environments. LC50 for fish and aquatic species suggest moderate toxicity.
Persistence and Degradability: Organic structure, persistent under some conditions; eventual biodegradation but can linger in soil and water.
Bioaccumulative Potential: Tends to accumulate in biological tissue due to high partition coefficient.
Mobility in Soil: Limited mobility, sticks to soil particles.
Other Adverse Effects: Significant releases threaten surface and groundwater.

Disposal Considerations

Waste Treatment: Gather any spilled material and contaminated absorbents; dispose of as hazardous waste according to local, regional, and federal requirements. Use approved chemical incinerator with afterburner and scrubber.
Special Precautions: Do not dump in natural water sources, sewers, or drains. Empty containers hold residue and should be managed as hazardous.
Regulations: Disposal practices require alignment with all environmental and hazardous waste laws.

Transport Information

UN Number: UN3330
Proper Shipping Name: Octanethiols
Transport Hazard Class: 3 (Flammable liquid)
Packing Group: III
Label: Flammable Liquid
Transportation Notes: Ensure containers are tightly sealed and upright during transport. Follow guidance for spills or leaks in transit. Can require specialized documentation and trained handlers.

Regulatory Information

OSHA Status: Regulated as hazardous chemical
TSCA Status: Listed on the U.S. TSCA Inventory
SARA Title III Sections 311/312: Immediate (acute) and fire hazard
SARA Title III Section 313: Not subject to reporting
California Proposition 65: Not listed
Other Regulatory Lists: Complies with EU REACH, Canadian DSL, and Japanese ENCS where applicable. Users must check local, state, and national regulations for variations or additions.