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Chemical Name: 1-Heptyne
CAS Number: 629-04-9
Molecular Formula: C7H12
Structure: Linear hydrocarbon alkyne
Common Uses: Organic synthesis, research applications, specialty chemical reactions.
Hazard Categories: Flammable liquid, Acute toxicity (inhalation/dermal), Eye and skin irritant
Main Risks: Vapor can ignite with a spark or flame, inhalation causes respiratory irritation, skin contact brings mild to moderate discomfort, higher concentrations may lead to headaches or dizziness.
GHS Labeling: Flammable symbol, exclamation mark for irritation
Precautionary Statements: Avoid breathing vapors, keep away from open flames, use only in well-ventilated areas, don’t allow near heat sources or static discharge points.
Active Substance: 1-Heptyne (>98%)
Impurities: Lower alkyne/alkene traces (if any, from synthesis residues), extremely limited by purification in research-grade material.
Inhalation: Remove affected person to fresh air; monitor for breathing difficulties or confusion; get medical attention if symptoms persist.
Skin Contact: Wash area thoroughly with soap and water; remove contaminated clothing; seek attention if rash or irritation continues.
Eye Contact: Flush gently with plenty of running water for several minutes; do not rub; consult a physician if discomfort lingers.
Ingestion: Do not induce vomiting; rinse mouth thoroughly with water; consult poison control or get emergency medical help if larger amounts swallowed.
Personal Protective Measures: Responders should wear gloves and splash protection when rendering first aid, particularly in eye and skin exposure cases.
Suitable Extinguishers: Dry chemical, carbon dioxide, alcohol-resistant foam
Hazardous Combustion Products: Generates carbon monoxide, carbon dioxide, small hydrocarbons under fire conditions
Protective Gear: Firefighters require self-contained breathing apparatus and skin protection, as heated vapors spread readily and may flashback to leaks or spillage points.
Risks Under Fire: Leaked vapors flow along surfaces and may ignite remotely; store containers cool; fire can escalate quickly with nearby fuels.
Personal Precautions: Evacuate unnecessary personnel; avoid inhalation of fumes; ventilate affected area aggressively; use spark-proof tools
Environmental Considerations: Prevent further spillage, especially near drains or soil; notify regulatory authorities if large quantities escape
Cleanup Methods: Absorb with inert, non-combustible material like sand; place collected material in approved sealed container; do not wash residues into drains or watercourses.
Handling: Work in fume hoods or outdoors whenever possible; keep containers tightly closed; ground and bond all transfer vessels to prevent static sparks; always wear gloves, eye protection, lab coats.
Storage: Cool, well-ventilated area; store away from oxidizers, acids, ignition sources; ensure all containers are labeled and leak-free; secure upright.
Recommended Containers: Use metal cans or glass bottles fitted with vapor-tight seals.
Engineering Controls: Use process enclosures, local exhaust ventilation, or general dilution ventilation to reduce vapor concentrations
Personal Protection: Gloves (nitrile or neoprene), safety goggles, splash-resistant lab coats, in high-vapor scenarios use NIOSH-approved organic vapor respirators
Exposure Limits: No specific regulatory thresholds in many regions, but prudent avoidance of vapor accumulation to minimize acute irritation and CNS effects remains wise practice.
Hygiene Measures: Wash hands thoroughly after handling; do not allow contact with clothing or exposed skin; remove contaminated clothing promptly.
Appearance: Colorless to faintly yellowish liquid
Odor: Mild, gasoline-like
Boiling Point: Approximately 99–102°C
Melting Point: -87°C
Flash Point: Around 10°C; very low, highlighting substantial fire risk
Vapor Pressure at 20°C: Moderate
Solubility: Slightly soluble in water, easily mixes with many organic solvents
Density: About 0.76 g/cm³
Vapor Density: Heavier than air, so vapor can pool in low lying areas.
Chemical Stability: Usually stable in closed containers at ambient conditions
Reactive Materials: Reacts aggressively with oxidizers, acids, halogens; may polymerize or generate heat with improper storage
Hazardous Polymerization: Unlikely under recommended storage — avoid excessive heat or mixing with reactive chemicals.
Hazardous Decomposition Products: Smoke, carbon oxides, low molecular weight hydrocarbons during combustion or thermal degradation.
Likely Routes of Exposure: Inhalation, skin contact, eye contact
Short-Term Effects: Irritation to respiratory system and skin; moderate irritation to eyes; high vapor exposure brings headaches, drowsiness, or mild nausea
Chronic Exposure: No reliable data on prolonged effects in humans; as with most alkynes, better to limit chronic exposure due to potential CNS impacts.
Sensitization: Not a known skin sensitizer, but may irritate sensitive individuals.
Carcinogenicity: No evidence suggesting 1-heptyne is carcinogenic.
Aquatic Toxicity: Moderately toxic to aquatic animals due to low water solubility and high volatility
Bioaccumulation Potential: Little evidence for significant buildup in species; environmental breakdown likely through evaporation and aerobic degradation.
Persistence: Breaks down relatively quickly in air via photo-oxidation; less persistence compared to halogenated solvents.
Soil and Water Mobility: Slow to migrate but may pose local hazards if released near water sources.
Preferred Methods: Incineration by a licensed chemical disposal contractor; don't pour into drains or municipal waste streams
Handling Wastes: Collect all wiped materials, absorbents, and residues as hazardous waste; label containers clearly, follow local, national disposal rules.
Environmental Protection: Use secure sealed drums for storage until collection; avoid combining with incompatible wastes.
UN Number: 3295
Proper Shipping Name: Hydrocarbon, liquid, n.o.s. (contains 1-heptyne)
Hazard Class: Flammable liquid
Packing Group: II
Transport Precautions: Ship upright, avoid rough handling, segregate from oxidizers and acids, apply clear hazard labels.
Packaging: Leak-proof, flame-resistant containers with vapor barriers.
Labelling Requirements: Flammable liquid, irritant, per GHS/CLP systems
Workplace Classification: Covered under hazardous chemical management; must display SDS on site
Worker Protection: Strict mandates on personal protection, ventilation, fire safety training
Environmental Release Controls: Local regulations govern air emission thresholds and reporting requirements for significant releases; small lab-scale use rarely triggers environmental reporting unless spillage occurs.
