Material Safety Data Sheet – 1-Heptanethiol

Identification

Product Name: 1-Heptanethiol
Synonyms: Heptane-1-thiol, n-Heptyl mercaptan
Chemical Formula: C7H16S
Molecular Weight: 132.27 g/mol
CAS Number: 1639-09-4
Recommended Use: Raw material for organic synthesis, laboratory reagent
Supplier: Chemical supply firms specializing in laboratory-grade reagents
Emergency Contact: Local poison control center or emergency medical services

Hazard Identification

GHS Classification: Flammable liquid, Acute toxicity (oral & dermal), Skin and eye irritation, Aquatic acute hazard
Label Elements: Signal word: Danger; Pictograms: Flame, Exclamation Mark, Skull and Crossbones, Environment
Hazard Statements: Highly flammable liquid and vapor; Harmful if swallowed, inhaled, or in contact with skin; Causes skin and serious eye irritation; Toxic to aquatic life
Precautionary Statements: Keep away from heat or open flame; Avoid breathing vapor; Wear protective gloves, eye protection, and clothing; Wash hands thoroughly after handling; Prevent release to environment

Composition / Information on Ingredients

Chemical Name: 1-Heptanethiol
Concentration: 98–100%
Impurities: Trace sulfur compounds; moisture below 1%
Additional Components: No significant stabilizers or inhibitors; product supplied as neat liquid with no deliberate additive

First Aid Measures

Inhalation: Move person to fresh air; if breathing becomes labored, seek immediate medical help
Skin Contact: Remove contaminated clothing, rinse skin thoroughly with water for several minutes; seek medical attention if rash, redness, or irritation results
Eye Contact: Rinse eyes gently with water for at least 15 minutes, lifting upper and lower eyelids; obtain medical aid immediately
Ingestion: Rinse mouth and do not induce vomiting; call poison control or a doctor right away
Notes for Medical Personnel: Watch for signs of respiratory distress, irritation, and sensitization; supportive care recommended

Fire-Fighting Measures

Suitable Extinguishing Media: Dry chemical, CO2, alcohol-resistant foam; avoid high-pressure water streams as they may spread the liquid
Hazards from Combustion: Irritating and toxic gases such as sulfur oxides, carbon monoxide; strong and persistent noxious odor on burning
Protective Equipment for Firefighters: Full protective gear, self-contained breathing apparatus
Firefighting Procedures: Move containers from fire area if safe, cool containers with water spray, control runoff

Accidental Release Measures

Personal Precautions: Evacuate area, ventilate space, prevent inhalation and skin contact, use PPE including chemical-resistant gloves and goggles
Environmental Precautions: Prevent spillage reaching soil, drains, and waterways; alert environmental authorities for major spill incidents
Containment and Cleanup: Contain leak with inert absorbent material (sand, earth, vermiculite); transfer residue to closed containers for disposal; decontaminate area with detergent and water

Handling and Storage

Handling: Use spark-proof tools and equipment, ground containers, work in ventilated area or fume hood, avoid static discharge, keep product away from food or beverages
Storage: Keep in tightly closed, properly labeled containers; store in cool, well-ventilated place away from sources of ignition, strong oxidizers, and bases; store away from direct sunlight and incompatible substances
Advice on General Hygiene: Wash hands thoroughly after use, store away from personal clothing or living space, do not eat, drink, or smoke while handling

Exposure Controls and Personal Protection

Exposure Limits: No established OSHA or ACGIH limits for this specific compound, always minimize exposure
Engineering Controls: Use exhaust ventilation, chemical fume hood whenever possible, implement closed handling systems for bulk use
Personal Protective Equipment: Chemical safety goggles, face shield for splash risk, flame-resistant laboratory coat, gloves made from butyl rubber or neoprene
Respiratory Protection: Use NIOSH-approved respirator under inadequate ventilation or in case of vapor generation
Environmental Controls: Avoid discharge to aquatic environments; implement spill protection on storage facilities

Physical and Chemical Properties

Appearance: Colorless or pale yellow oily liquid
Odor: Strong, repulsive, sulfurous odor reminiscent of rotten eggs
Odor Threshold: Detectable at very low concentrations due to intensity
pH: Not applicable (non-aqueous liquid)
Melting Point: -29°C (-20°F)
Boiling Point: 181–184°C (357–363°F)
Flash Point: 53°C (127°F) (closed cup)
Evaporation Rate: Not determined, presumed slow at room temperature
Flammability: Flammable liquid and vapor
Vapor Pressure: 0.5 mmHg at 20°C
Vapor Density (air=1): 4.6
Solubility: Insoluble in water, miscible with most organic solvents
Partition Coefficient (log Kow): 3.8
Viscosity: Moderate for a thiol
Auto-ignition temperature: >245°C (473°F)
Decomposition Temperature: Unstable at higher temperatures, emits toxic fumes
Molecular Structure: Straight-chain alkane with terminal thiol group

Stability and Reactivity

Chemical Stability: Stable under recommended storage and handling; volatile at elevated temperatures, decomposes upon excessive heating
Reactivity: Reacts violently with oxidizing agents, attacks some plastics and rubbers
Incompatible Materials: Strong acids, bases, oxidizers; halogens
Hazardous Decomposition: Sulfur dioxide, hydrogen sulfide, carbon monoxide
Hazardous Polymerization: Not expected under normal use

Toxicological Information

Acute Toxicity: Ingestion, inhalation, or skin absorption may cause harm; oral LD50 (rat): around 700 mg/kg; skin contact may lead to absorption
Routes of Exposure: Inhalation, dermal, ingestion
Symptoms: Irritation of eyes, nose, throat; headache, nausea; possible dizziness or central nervous system depression at high concentrations
Chronic Effects: Prolonged exposure may cause dermatitis, sensitization or other irreversible changes; limited data suggests potential liver and kidney involvement
Carcinogenicity: Not classified as carcinogen by IARC, NTP, OSHA
Mutagenicity: No significant evidence from available data
Reproductive Toxicity: No significant data for this compound, precaution advised

Ecological Information

Ecotoxicity: Toxic to aquatic organisms, may cause long-term adverse effects in aquatic environments
Persistence and Degradability: Moderately biodegradable in soil and water; thiol group oxidized by microbial activity
Bioaccumulative Potential: Moderate, log Kow suggests uptake in aquatic organisms
Mobility in Soil: Limited due to hydrophobic nature, tends to remain in upper soil layers
Other Adverse Effects: Strong and persistent odor can disrupt surrounding environments and wildlife

Disposal Considerations

Waste Treatment Methods: Incinerate at high temperatures in a chemical incinerator equipped with afterburner and scrubber; do not discharge to sewer or surface waters
Disposal Containers: Use properly labeled, sealed, chemical-resistant containers
Local Regulations: Follow state, federal, and local disposal regulations for hazardous waste
Precautions: Do not reuse empty containers; contaimination can pose ongoing hazards

Transport Information

UN Number: UN3334
UN Proper Shipping Name: Aviation Regulated Liquid, N.O.S. (contains 1-heptanethiol)
Transport Hazard Class: 3 (Flammable liquids)
Packing Group: III
Marine Pollutant: Yes
Special Precautions: Secure tightly, mark shipping containers clearly, avoid storage near oxidizers or heat sources
Transport Labels: Flammable liquid, Environmentally hazardous
Land Transport (ADR/RID): Regulated as dangerous good
Air Transport (IATA): Transported under guidelines for flammable and toxic substances
Sea Transport (IMDG): Marine pollutant, flammable liquids

Regulatory Information

US Regulations: Listed on TSCA; SARA 313: not subject; OSHA Hazard Communication: hazardous chemical
EU Regulations: EC No 217-991-4; included under REACH Regulation; labeled as hazardous under CLP
Canadian Regulations: Listed on DSL/NDSL; WHMIS: Flammable and toxic substance
Other National Regulations: Varies by jurisdiction, but generally regarded as hazardous material; always check and comply with national chemical regulations
Labeling Requirements: Signal word “Danger,” hazard pictograms for flammable, toxic, irritant, and environmental hazard; precautionary and hazard statements on all packaging