Product Name: Allyl Caproate
Chemical Formula: C9H16O2
Synonyms: Allyl hexanoate, Hexanoic acid, allyl ester
CAS Number: 123-68-2
Use: Commonly used in flavor and fragrance formulation, often recognized by its fruity, pineapple-like odor.
Manufacturer Information: To be obtained from your specific supplier
Contact Information: Emergency contact and supplier details to be filled out per workplace specifications
Recommended Use: Industrial, laboratory, and research applications
Classification: Flammable liquids (Category 3), Acute toxicity oral and dermal (Category 4), Skin and eye irritation (Category 2), Specific target organ toxicity-single exposure (Category 3)
GHS Label Elements: Flame, Exclamation Mark
Hazard Statements: Flammable liquid and vapor, Harmful if swallowed or in contact, Causes skin and eye irritation, May cause respiratory irritation
Precautionary Statements: Keep away from open flames and ignition sources, Avoid breathing vapors, Wash hands thoroughly after handling, Wear protective clothing, gloves, and eye protection
Potential Health Effects: Inhalation may lead to coughing, dizziness, and headaches; skin contact causes redness and possible sensitization; ingestion may result in nausea, vomiting, or abdominal pain
Chemical Name: Allyl Caproate
Concentration: 98-100%
Other Components: Minor impurities only, no significant hazards associated outside of product specifications
Molecular Weight: 156.23 g/mol
Inhalation: Remove to fresh air, seek medical attention if symptoms persist; monitor breathing and provide oxygen if needed.
Skin Contact: Wash with plenty of soap and water, remove contaminated clothing; seek medical help if irritation continues or develops.
Eye Contact: Rinse cautiously with water for several minutes; remove contacts if present and easy, keep rinsing; seek medical attention immediately for pain, redness, or blurred vision.
Ingestion: Rinse mouth, do not induce vomiting; get medical attention if symptoms occur.
Notes for Physicians: Treat symptomatically and provide supportive care.
Suitable Extinguishing Media: Alcohol-resistant foam, dry chemical, carbon dioxide, water spray
Fire Hazards: Flammable liquid, vapors may form explosive mixtures in air; combustion yields acrid smoke, carbon monoxide, and carbon dioxide
Special Protective Equipment: Firefighters use self-contained breathing apparatus and full protective gear
Advice for Firefighters: Stay upwind, cool containers with water, avoid breathing fumes, collect contaminated water for proper disposal
Explosion Risk: Vapors heavier than air can spread along floors and ignite at a distance
Personal Precautions: Evacuate unnecessary personnel, ventilate area, wear suitable personal protective equipment, shut off all sources of ignition
Spill Response: Contain and soak up spills with inert absorbent material such as sand or earth; place in suitable, labeled containers
Environmental Precautions: Avoid runoff into drains or water sources; alert authorities if large quantities enter environment
Clean-up Procedures: Neutralize small spills with dilute sodium carbonate if possible; dispose of residues adhering to all regulations
Safe Handling Recommendations: Use only in well-ventilated settings, keep containers closed when not in use, avoid skin and eye contact, avoid vapor inhalation
Avoid: Heat, sparks, open flames, and static discharge
Storage Conditions: Keep in cool, dry, and well-ventilated storage areas; store away from oxidizing agents, acids, and ignition sources
Container Materials: Store in original or compatible tightly sealed containers.
Exposure Limits: There is no established OSHA or ACGIH exposure limit; workplace air monitoring suggested
Engineering Controls: Local exhaust or general ventilation to prevent vapor accumulation
Personal Protection: Chemical-resistant gloves (nitrile advisable), goggles or face shield, lab coat or apron; respiratory protection required if airborne concentrations rise above recommended level
Hygiene Measures: Do not eat, drink, or smoke during use; wash thoroughly after handling.
Physical State: Liquid
Color: Colorless to pale yellow
Odor: Characteristic, fruity, pineapple-like
pH: Not applicable
Boiling Point: 196-199°C
Melting Point: -52°C
Flash Point: 75°C (closed cup)
Evaporation Rate: No data available
Flammability: Flammable
Vapor Pressure: 0.39 mmHg at 25°C
Vapor Density (air=1): 5.39
Density: 0.888 g/cm³
Solubility in Water: Slightly soluble
Partition Coefficient (log Kow): 2.81
Viscosity: No data
Chemical Stability: Stable under normal storage, may polymerize if heated
Potentially Hazardous Reactions: May react with strong acids, bases, oxidizers
Conditions to Avoid: Heat, flame, sparks, incompatible substances
Hazardous Decomposition Products: Forms carbon monoxide, carbon dioxide, and irritating vapors when combusted
Polymerization: Can occur in presence of strong acids or heating
Acute Toxicity: Oral LD50 in rats about 1,400 mg/kg; causes irritation to mucous membranes, mouth, throat, and stomach
Skin and Eye Contact: Causes redness, sensation of burning or discomfort, and swelling
Inhalation Toxicity: Can cause headache, dizziness, respiratory discomfort, coughing
Chronic Toxicity: Prolonged or repeated exposure can cause sensitization, dermatitis
Carcinogenicity: Not classified as carcinogen by IARC, NTP, or OSHA
Mutagenicity: Insufficient data
Other Information: No evidence for reproductive or developmental harm
Ecotoxicity: Harmful to aquatic organisms in high concentrations; LC50 (fish, 96h) > 40 mg/L
Persistence and Degradability: Moderately biodegradable; may persist in environment if large amounts released
Bioaccumulation: Possible moderate potential (log Kow 2.81)
Mobility in Soil: Low in water, high volatility, may move through soil
Other Adverse Effects: No known significant effects beyond aquatic hazard
Waste Treatment Methods: Dispose via licensed chemical waste contractor; incineration preferred
Contaminated Packaging: Rinse, triple-wash, and treat as hazardous waste
Precautions: Do not pour into drains or environment; follow federal, state, and local disposal regulations
Additional Disposal Notes: Keep out of reach of children and animals; keep away from food and feeds
UN Number: UN 3272
UN Proper Shipping Name: Esters, n.o.s. (Allyl caproate)
Transport Hazard Class: 3 (Flammable Liquids)
Packing Group: III
Environmental Hazards: Limited unless large spill
Special Precautions for Transportation: Ensure labeling and documentation match current regulations; keep away from sources of heat during transit
Regulation SARA Title III: Not listed as an extremely hazardous substance
OSHA Hazards: Flammable liquid, moderate acute toxicity, irritant
TSCA Inventory: Listed
WHMIS Classification (Canada): B2 (Flammable Liquid), D2B (Toxic Material Causing Other Toxic Effects)
EU Classification: Flammable (F), Harmful (Xn), Irritant (Xi)
Risk Phrases: R10 (Flammable), R22 (Harmful if swallowed), R38/41 (Irritating to skin/eyes)
Safety Phrases: S16 (Keep away from ignition), S26 (In case of contact with eyes, rinse immediately), S36/37 (Wear suitable protective clothing
Other Regulatory Requirements: Ensure compliance with all applicable workplace safety laws, special conditions for transport, and labeling practices.
