Material Safety Data Sheet: 2-Pentanethiol

Identification

Product Name: 2-Pentanethiol
Synonyms: Pentane-2-thiol; sec-Amyl mercaptan
CAS Number: 2084-19-7
Chemical Formula: C₅H₁₂S
Recommended Use: Laboratory chemical, chemical synthesis
Supplier Information: Safety officer or chemical distributor
Emergency Contact: Refer to local safety protocol or chemical manufacturer

Hazard Identification

GHS Classification: Flammable liquids (Category 3); Acute toxicity, oral (Category 3); Acute toxicity, dermal (Category 3); Acute aquatic toxicity (Category 2)
Signal Word: Danger
Hazard Statements: Flammable liquid and vapor; Toxic if swallowed; Toxic in contact with skin; Harmful to aquatic life with long lasting effects
Pictograms: Flame, Skull and Crossbones, Environment
Routes of Exposure: Inhalation, skin contact, ingestion, eye contact
Symptoms: Nausea, vomiting, headache, drowsiness, skin and eye irritation, respiratory distress

Composition / Information on Ingredients

Chemical Name: 2-Pentanethiol
CAS Number: 2084-19-7
Purity: >98%
Impurities: Trace organic sulfides, possible pentane isomers
Additives: Usually none declared in laboratory-grade material

First Aid Measures

Inhalation: Move to fresh air. If symptoms persist, get medical attention. Provide oxygen if breathing becomes difficult.
Skin Contact: Remove contaminated clothing. Rinse skin with soap and water for at least 15 minutes. Seek medical care if irritation or symptoms develop.
Eye Contact: Rinse eyes with water for several minutes, lifting upper and lower eyelids occasionally. Remove contact lenses if present, and continue rinsing. Medical evaluation recommended.
Ingestion: Do not induce vomiting. Rinse mouth with water. Seek medical care immediately.
Most Important Symptoms: Dizziness, headache, abdominal pain, skin burning, nausea

Fire-Fighting Measures

Suitable Extinguishing Media: Dry chemical, foam, carbon dioxide, water spray (to cool containers)
Specific Hazards: Emits toxic fumes of carbon monoxide, carbon dioxide, sulfur oxides under fire conditions
Protective Equipment: Self-contained breathing apparatus, chemical-resistant protective clothing
Advice for Firefighters: Avoid inhaling vapors. Position upwind. Cool exposed containers with water spray to prevent rupture.
Explosion Potential: Vapors may form explosive mixture with air, especially in confined spaces.

Accidental Release Measures

Personal Precautions: Evacuate area, ventilate space, use proper PPE such as gloves, goggles, protective clothing, and suitable respirator.
Environmental Precautions: Prevent further leakage or spillage if safe. Do not allow product to reach soil, sewers, or water sources.
Containment Methods: Absorb spill with inert material (sand, earth). Do not use combustible materials.
Clean-Up Procedures: Collect contaminated absorbent material in sealed containers for disposal in accordance with local, regional, national, international regulations.
Decontamination: Wash area with suitable cleaning agents after removal.

Handling and Storage

Safe Handling: Work only in well-ventilated area or fume hood. Avoid breathing vapors or contact with eyes, skin, and clothing. Keep away from heat, sparks, and open flames.
Hygiene Practices: Wash hands thoroughly after handling; do not eat, drink, or smoke during use.
Storage Conditions: Store in cool, dry, well-ventilated space, away from incompatible substances such as oxidizers, acids, and bases.
Container Requirements: Use tightly closed containers made of compatible materials. Keep containers upright and clearly labeled.

Exposure Controls and Personal Protection

Occupational Exposure Limits: None established for 2-Pentanethiol, recommend following general limits for similar thiols (consult local regulations).
Engineering Controls: Use adequate local exhaust ventilation or chemical fume hood to minimize exposure.
Personal Protection: Wear protective goggles, chemical-resistant gloves (nitrile, neoprene), lab coat, and suitable protective footwear.
Respiratory Protection: Use approved respirators (nuisance organic vapor cartridge mask) if exposure exceeds limits or in case of insufficient ventilation.
Environmental Controls: Avoid release into environment. Follow all pollution control guidelines and work practices.

Physical and Chemical Properties

Appearance: Clear, colorless to pale yellow liquid
Odor: Strong, unpleasant, skunk-like odor
Odor Threshold: Highly detectable at low concentrations
pH: Not applicable (non-aqueous)
Melting Point: -92°C
Boiling Point: 117–119°C
Flash Point: 28°C (closed cup)
Evaporation Rate: Rapid at ambient temperature
Flammability: Flammable liquid
Vapor Pressure: 20 mmHg at 25°C
Vapor Density: Heavier than air (relative to air = 1)
Relative Density: 0.84 g/cm³
Solubility: Very slightly soluble in water, soluble in organic solvents
Partition Coefficient (log Kow): 2.2
Auto-ignition Temperature: 230–250°C
Decomposition Temperature: Not well documented
Viscosity: Not determined

Stability and Reactivity

Chemical Stability: Stable under standard storage and handling conditions.
Reactivity: Reacts with oxidizing agents, acids, bases.
Hazardous Reactions: Exothermic reaction on strong oxidation; sulfur compounds generated upon decomposition.
Conditions to Avoid: Heat, flames, sparks, static electricity; incompatible materials.
Incompatible Materials: Strong oxidizing agents, strong acids, strong bases.
Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, sulfur oxides, hydrogen sulfide.

Toxicological Information

Acute Toxicity: Estimated oral LD₅₀ (rat): 80 mg/kg; Estimated dermal LD₅₀ (rabbit): 200 mg/kg
Skin Corrosion/Irritation: Causes irritation
Eye Damage/Irritation: Causes eye irritation
Respiratory Sensitization: Prolonged exposure may cause respiratory irritation
Chronic Effects: No definitive studies, but structurally similar thiols may cause liver, kidney, or central nervous system effects with chronic exposure
Carcinogenicity: Not listed by IARC, NTP, OSHA
Germ Cell Mutagenicity: Data lacking
Reproductive Toxicity: Data lacking
Signs and Symptoms of Exposure: Drowsiness, nausea, confusion, headache, skin sensitization

Ecological Information

Acute Aquatic Toxicity: Harmful to aquatic organisms; fish LC₅₀ (96h): 1–10 mg/L (extrapolated from similar chemicals)
Chronic Aquatic Toxicity: Toxic to aquatic life with long-lasting effects
Degradability: Likely not readily biodegradable; persistence possible in the environment
Bioaccumulation Potential: Moderate, with a log Kow of 2.2
Mobility in Soil: Expected low mobility due to low water solubility and moderately high vapor pressure
Other Adverse Effects: Strong odor may affect local environment even at low concentrations

Disposal Considerations

Disposal Method: Dispose of material through licensed hazardous waste disposal contractor; follow local, state, national, and international regulations.
Container Disposal: Rinse thoroughly before recycling or discarding as hazardous waste.
Environmental Precautions: Do not dispose in drains, sewers, or the environment. Avoid contaminating water sources.
Waste Codes: EPA Hazardous Waste Number: U165 and D001 (for flammables)

Transport Information

UN Number: UN1993
Proper Shipping Name: Flammable liquid, n.o.s. (containing 2-Pentanethiol)
Transport Hazard Class: 3 (Flammable liquid)
Packing Group: III
Label: Flammable liquid
Environmental Hazards: Marine pollutant
Special Precautions: Keep away from food and feedstuffs. Transport in approved, sealed containers. Follow all applicable transport legislation.

Regulatory Information

Classification: Subject to OSHA Hazard Communication Standard (29 CFR 1910.1200)
SARA Title III (Sections 311/312): Fire hazard, acute health hazard
SARA Title III (Section 313): Not subject at this time
TSCA: Listed in the TSCA inventory
REACH Status (EU): Registration required; contact supplier for status
WHMIS (Canada): Classified as hazardous, B2—Flammable liquid; D1B—Toxic material causing immediate and serious toxic effects
Other Regulatory Listings: Check local, state, national, and international regulations for requirements on reporting, handling, and disposal