Product Name: 3-Octyne
Chemical Name: 3-Octyne
Synonyms: Oct-3-yne, Ethylbutylethyne
CAS Number: 629-06-1
Molecular Formula: C8H14
Molecular Weight: 110.2 g/mol
Recommended Use: Laboratory chemical, intermediate in organic synthesis
Manufacturer Information: Company contact details should include address, phone, and emergency number for chemical incidents.
GHS Classification: Flammable liquids, Category 3; Acute toxicity (oral, dermal, inhalation), Category 4; Eye irritation, Category 2A
Pictogram: Flame, Exclamation mark
Signal Word: Warning
Hazard Statements: Flammable liquid and vapor; Harmful if swallowed or in contact with skin or inhaled; Causes serious eye irritation
Precautionary Statements: Keep away from heat, sparks, open flames; No smoking; Use explosion-proof equipment; Wear protective gloves, clothing, and eye/face protection; IF INHALED: Remove person to fresh air and keep at rest; IF IN EYES: Rinse cautiously with water for several minutes.
Chemical Identity: 3-Octyne
Concentration: 98-100%
Additives: None identified
Impurities: No significant impurities relevant for classification
CAS Number: 629-06-1
Inhalation: Move victim to fresh air. Keep at rest in position comfortable for breathing. Seek medical attention if symptoms persist.
Skin Contact: Remove contaminated clothing. Rinse skin with plenty of water for at least 15 minutes. Get medical advice for irritation or burns.
Eye Contact: Rinse eyes immediately with plenty of water, holding eyelids open. Seek medical care if pain, redness, or vision changes persist.
Ingestion: Rinse mouth. Do not induce vomiting. Call poison control or physician immediately for advice.
Symptoms: Cough, dizziness, headache, skin and eye irritation.
Notes for Medical Providers: Treat symptomatically and supportively. Monitor for respiratory distress or sensitization.
Flash Point: 36°C (97°F)
Extinguishing Media: Carbon dioxide, dry chemical powder, foam; water spray may help cool fire but could spread liquid.
Unsuitable Media: Water jet can spread fire due to low density and high volatility of substance.
Special Hazards: Vapors are heavier than air and can travel to source of ignition. Combustion produces carbon monoxide and carbon dioxide.
Protective Equipment: Firefighters should wear self-contained breathing apparatus and full protective gear. Isolate area and avoid inhalation of combustion products.
Firefighting Instructions: Approach fire from upwind, contain runoff to prevent environmental contamination. Evacuate area if necessary.
Personal Precautions: Evacuate unnecessary personnel. Avoid breathing vapors, avoid contact with skin and eyes. Use proper ventilation.
Protective Equipment: Chemical goggles, solvent-resistant gloves, flame-resistant clothing, and respirators if necessary.
Environmental Precautions: Do not release into drains, surface water, or soil. Prevent further leakage or spillage.
Methods for Cleaning Up: Absorb spill with inert non-combustible material (sand, earth, vermiculite), collect into labeled drum for disposal. Use non-sparking tools and explosion-proof equipment. Clean contaminated area with detergent and plenty of water.
Prevention of Secondary Hazards: Remove sources of ignition. Ventilate area after spill cleanup.
Safe Handling Practices: Handle in well-ventilated areas. Avoid vapor buildup. Use proper protective gear. Keep containers closed when not in use. Avoid contact with skin, eyes, and clothing.
Fire/Explosion Prevention: Keep away from flames, heat, static discharge, and any ignition sources. Use grounded, explosion-proof tools and equipment.
Storage Conditions: Store away from incompatible materials such as oxidizers and acids. Keep at cool temperatures in tightly sealed, clearly labeled containers, in a flammable chemicals cabinet.
Storage Class: Flammable liquids
Incompatible Materials: Strong oxidizing agents, strong acids, halogens.
Exposure Limits: No established OSHA, ACGIH, or NIOSH limits for 3-Octyne. Treat as a volatile organic compound.
Engineering Controls: Use local exhaust ventilation or fume hoods to minimize airborne concentrations. Provide safety showers and eyewash stations.
Personal Protective Equipment: Safety goggles, chemical-resistant gloves (nitrile, neoprene), flame-resistant lab coat, use NIOSH-approved respirators if airborne concentration is high.
Hygiene Measures: Wash hands and forearms before eating, drinking, or smoking. Remove contaminated clothing before leaving work area. Launder clothing before reuse.
Appearance: Colorless to pale yellow liquid
Odor: Mild, ether-like
Odor Threshold: Data not available
pH: Not applicable
Melting Point: -81°C
Boiling Point: 143–144°C
Flash Point: 36°C
Evaporation Rate: Not determined
Flammability: Flammable liquid
Upper/Lower Flammability Limits: Data not available
Vapor Pressure: 4 mmHg at 25°C
Vapor Density: ~4.5 (air = 1)
Relative Density: 0.737 g/cm³ at 25°C
Solubility: Slightly soluble in water, easily soluble in organic solvents
Partition Coefficient (n-octanol/water): Log Kow >3
Auto-ignition Temperature: 300°C
Decomposition Temperature: Data not available
Viscosity: Low viscosity
Chemical Stability: Stable under recommended storage and handling conditions. Sensitive to light and air; prolonged exposure worsens stability.
Reactvity: Reacts vigorously with strong oxidizers and acids.
Conditions to Avoid: Heat, sparks, open flames, temperatures above ambient, direct sunlight.
Incompatible Materials: Oxidizing agents, acids, halogens.
Hazardous Decomposition: Produces carbon monoxide, carbon dioxide, possibly other toxic vapors during combustion or thermal decomposition.
Hazardous Polymerization: No hazardous polymerization expected.
Routes of Exposure: Inhalation, ingestion, skin and eye contact
Symptoms: Headache, dizziness, respiratory irritation, nausea, eye and skin redness or irritation
Acute Toxicity: No detailed LD50/LC50 data available for humans; similar alkynes linked with CNS depression and mucous membrane irritation in animals.
Skin Contact: Possible irritation, dryness, or cracking
Eye Contact: Redness, pain, watering
Chronic Effects: No long-term studies available; chronic inhalation may affect liver and central nervous system per related compounds.
Sensitization: No data available on allergic response.
Carcinogenicity: Not classified as carcinogenic by IARC, NTP, OSHA.
Mutagenicity/Reproductive Toxicity: Not tested; insufficient evidence for genetic or reproductive effects.
Toxicity: Limited acute aquatic toxicity data; structurally similar substances are moderately toxic to aquatic organisms.
Persistence and Degradability: Expected to degrade under aerobic conditions; not likely to persist as a pollutant
Bioaccumulative Potential: Log Kow above 3 suggests moderate to high potential for bioaccumulation in aquatic species.
Mobility in Soil: Moderately mobile, may leach to groundwater.
Other Adverse Effects: Avoid release to waterways and soil to minimize environmental impact.
Disposal Methods: Incinerate in a chemical incinerator equipped with afterburner and scrubber, or dispose in accordance with all local, regional, and national regulations. Do not allow entry into drains, sewers, or water systems.
Container Disposal: Empty containers should be rinsed with compatible solvent and disposed of as hazardous waste.
Special Precautions: Consult an environmental professional for guidance.
UN Number: UN 1993
UN Proper Shipping Name: Flammable Liquid, n.o.s. (contains 3-Octyne)
Transport Hazard Class: 3 (Flammable liquids)
Packing Group: III
Marine Pollutant: Not classified as marine pollutant but avoid uncontrolled release
Labelling: Flammable liquid label, hazardous substance marking
Special Precautions for Transport: Keep containers upright, well-sealed, and protected from physical damage during transit.
U.S. TSCA Inventory: Listed
EU REACH Status: Not subject to registration but notify authorities if handling more than threshold limit
SARA Title III, Sections 302/304, 311/312: Flammable hazard
California Proposition 65: Not listed
Canada (DSL/NDSL): Listed
Chemical Safety Assessment: Evaluate local regulations and perform risk assessment for workplace safety.