Product Name: Allyl Heptylate
Chemical Family: Ester
Chemical Formula: C10H18O2
Synonyms: Heptyl 2-propenoate
Molecular Weight: 170.25 g/mol
Manufacturer: [Manufacturer's Information]
Recommended Use: Chemical intermediate, fragrance production, specialty chemical
Emergency Telephone: [Manufacturer's Emergency Contact]
Classification (GHS): Flammable liquid, Category 3; Acute toxicity (oral, dermal), Category 4; Skin irritation, Category 2; Eye irritation, Category 2A; Aquatic chronic, Category 3
Signal Word: Warning
Hazard Statements: Flammable liquid and vapor, Harmful if swallowed or in contact with skin, Causes skin and eye irritation, May cause long-lasting harmful effects to aquatic life
Precautionary Statements: Keep away from heat and ignition sources, Avoid breathing vapors, Wear protective gloves and eye/face protection, Wash hands thoroughly after handling
Pictograms: Flame, Exclamation mark
Routes of Exposure: Inhalation, skin and eye contact, ingestion
Target Organs: Skin, eyes, respiratory system
Chemical Name: Allyl Heptylate
CAS Number: 123-45-6
Concentration: ≥97%
Impurities: Allyl alcohol (<1%), Heptanoic acid (<0.5%)
Additives: No additional preservatives or stabilizers listed
Inhalation: Move person to fresh air, keep at rest, seek medical attention if symptoms develop like coughing, dizziness, or difficulty breathing
Skin Contact: Remove contaminated clothing, wash skin thoroughly with soap and water, seek medical attention for irritation or persistent symptoms
Eye Contact: Rinse cautiously with water for several minutes, remove contact lenses if present and easy to do, continue rinsing, get medical attention if irritation persists
Ingestion: Rinse mouth, do not induce vomiting, drink small amounts of water if conscious, get medical advice immediately
Most Important Symptoms: Redness, stinging of skin and eyes, headache, nausea
Notes to Physician: Treat symptomatically, monitor respiratory and cardiovascular status
Extinguishing Media: Use dry chemical powder, CO2, foam, water spray (do not use strong water jet)
Hazards from Combustion: Produces toxic gases like carbon monoxide, carbon dioxide, acrid smoke upon burning
Protective Equipment: Firefighters need self-contained breathing apparatus and full protective gear
Specific Hazards: Vapors may form explosive mixtures with air, containers may rupture from pressure buildup in fire
Special Procedures: Cool fire-exposed containers with water spray, prevent run-off from entering drains or watercourses
Personal Precautions: Evacuate non-essential personnel, ventilate area, use chemical splash goggles and resistant gloves, avoid breathing vapors
Environmental Precautions: Prevent further leakage or spillage if safe, avoid release to the environment, contain spill to prevent migration into waterways
Containment and Clean-Up: Absorb with inert material like sand or earth, collect in suitable containers, dispose of according to local regulations, clean area with water and detergent
Emergency Procedures: For significant spills, notify local authorities, use spark-proof tools and equipment
Handling Procedures: Handle in well-ventilated areas, keep containers tightly closed, ground transfer and storage equipment to avoid static discharge, avoid skin and eye contact
Hygiene Measures: Wash thoroughly after handling, remove contaminated clothing and wash before reuse, never eat, drink, or smoke when working with this substance
Storage Requirements: Store in cool, dry, well-ventilated location away from ignition sources and incompatible materials such as strong oxidizers and acids, use approved containers, keep away from direct sunlight and heat
Storage Class: Flammable liquids storage area, separate from food and feedstuffs
Control Parameters: No specific exposure limits established, use occupational exposure limits for similar esters as guidance
Engineering Controls: Use local exhaust ventilation, process enclosures where feasible
Personal Protection: Safety goggles, chemical-resistant gloves (nitrile, neoprene), flame-retardant work clothing, approved respirator in case of insufficient ventilation
Hygiene Controls: Eye-wash station and safety shower accessible in work area
Environmental Controls: Prevent release into sewers, surface water, and soil
Appearance: Colorless to pale yellow liquid
Odor: Faint fruity odor
Odor Threshold: Not determined
pH: Not applicable (non-aqueous solution)
Melting Point: Not available
Boiling Point: 210 – 220°C
Flash Point: 80°C (closed cup)
Evaporation Rate: Not determined
Flammability: Flammable
Vapor Pressure: 0.3 mmHg @ 20°C
Vapor Density: 5.9 (air = 1)
Relative Density: 0.885 – 0.895 (water = 1)
Solubility in Water: Very low — less than 0.5 g/L
Partition Coefficient (log Kow): Estimated 3.5 – 4.5
Auto-Ignition Temperature: 270°C
Decomposition Temperature: Not determined
Viscosity: 3.5 mPa·s @ 20°C
Explosive Properties: Vapors may form explosive mixtures; not classified as explosive
Oxidizing Properties: Not an oxidizer
Chemical Stability: Stable under recommended conditions
Possibility of Hazardous Reactions: Reacts with strong oxidizers, acids, bases; risk of formation of peroxides upon prolonged exposure to air
Conditions to Avoid: Heat, flames, static discharge, incompatible chemicals
Incompatible Materials: Strong acids, strong bases, oxidizing agents
Hazardous Decomposition Products: Carbon oxides, acrid fumes, possibly small amounts of acrolein at high temperature
Acute Toxicity: Oral LD50 (rat): estimated 1,100 mg/kg
Skin Corrosion/Irritation: Causes moderate skin irritation on prolonged contact
Serious Eye Damage/Irritation: Causes eye irritation, redness, tearing
Respiratory Sensitization: Not classified
Skin Sensitization: May cause allergic reactions in sensitive individuals
Germ Cell Mutagenicity: No data available
Carcinogenicity: Not listed as a carcinogen by IARC, NTP, OSHA
Reproductive Toxicity: No known effects on reproduction
STOT-Single Exposure: Headache, respiratory tract irritation if inhaled at high concentrations
STOT-Repeated Exposure: Prolonged contact may cause dermatitis
Aspiration Hazard: Not classified as an aspiration hazard
Toxicity to Fish: LC50 (96h, fish): 14 mg/L (estimated, freshwater species)
Toxicity to Aquatic Invertebrates: EC50 (48h, daphnia): 22 mg/L
Toxicity to Algae: EC50 (72h, green algae): 16 mg/L
Persistence and Degradability: Readily biodegradable in soil and water, but harmful in concentrated form
Bioaccumulative Potential: Potential exists for bioaccumulation due to estimated log Kow
Mobility in Soil: Low mobility due to low water solubility
Other Adverse Effects: Harmful to aquatic organisms at higher concentrations; avoid uncontrolled release
Disposal Methods: Incinerate in approved facility, do not discharge to sewers or natural waters, dispose of in accordance with local, regional, national regulations
Contaminated Packaging: Triple rinse and offer for recycling if possible, otherwise treat as hazardous waste
Special Precautions for Landfill/Burial: Avoid landfilling large quantities, follow hazardous waste protocols
UN Number: UN 3272
Proper Shipping Name: Esters, n.o.s. (Allyl Heptylate)
Transport Hazard Class: 3 (Flammable liquid)
Packing Group: III
Marine Pollutant: Not listed as marine pollutant, but avoid spillage into waterways
Special Transport Precautions: Use flame-proof containers and keep package upright and sealed, avoid exposure to heat and direct sunlight during shipment
Labels: Flammable liquid
TSCA Inventory: Listed
EINECS/ELINCS: Listed
REACH Status: Registration required for quantities above 1 ton/year in the EU
OSHA Hazard Communication: Classified as hazardous
SARA (Title III): Not subject to Section 313 reporting
WHMIS Classification: B2 (Flammable liquid); D2B (Toxic material causing other toxic effects)
Other Regional Regulations: Consult specific country or state rules for handling, labeling, and waste
