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Product Name: N-Hexanal
Other Names: Hexanal, Caproaldehyde
Chemical Formula: C6H12O
CAS Number: 66-25-1
Recommended Use: Used as a flavoring agent, fragrance, and intermediate in organic synthesis
Supplier Information: Available from major laboratory chemical suppliers across North America, Europe, and Asia
Emergency Contact: National Poison Control Center: 1-800-222-1222
Classification: Flammable liquid and vapor; Causes skin irritation; May cause respiratory irritation; Harmful if swallowed
GHS Pictograms: Flame, Exclamation mark
Signal Word: Warning
Hazard Statements: Highly flammable; Irritating to eyes, respiratory system, and skin; Harmful by inhalation, in contact with skin, and if swallowed
Precautionary Statements: Keep away from heat, sparks, open flames; Wear protective gloves and eye protection; Use only outdoors or in well-ventilated area; Avoid breathing dust, fumes, gas, mist, vapors or spray
Substance Name: N-Hexanal
Purity: Over 98% by weight
Impurities: Trace amounts of other aliphatic aldehydes or hydrocarbons (under 2%)
EC Number: 200-537-5
Molecular Weight: 100.16 g/mol
Inhalation: Remove from exposure to fresh air immediately; Seek medical attention if symptoms develop or persist; Administer supplemental oxygen if breathing is troubled
Skin Contact: Rinse thoroughly with plenty of water for at least 15 minutes; Remove contaminated clothing; Wash before reuse; Seek medical help for irritation or redness
Eye Contact: Rinse cautiously with water for several minutes, lifting eyelids to ensure thorough cleaning; Contact medical personnel if irritation continues
Ingestion: Rinse mouth with water; Do not induce vomiting; Give nothing by mouth to an unconscious person; Get medical attention promptly
Most Important Symptoms: Redness, itching, pain, dizziness, and possible central nervous system effects
Suitable Extinguishing Media: Use dry chemical powder, carbon dioxide (CO2), foam, or alcohol-resistant foam; Water spray for larger fires or cooling
Unsuitable Extinguishing Media: Direct streams of water may spread the fire
Specific Hazards: Vapors form explosive mixtures with air; May produce irritating or toxic fumes (carbon oxides); Containers may explode in heat of fire
Firefighter Protection: Wear self-contained breathing apparatus (SCBA) and full protective gear; Approach fire from upwind
Special Procedures: Evacuate area, cool exposed containers with water spray, prevent run-off from entering drains or watercourses
Personal Precautions: Evacuate non-essential personnel; Avoid inhalation of vapors; Use appropriate personal protective equipment
Environmental Precautions: Prevent further leakage or spillage if safe to do so; Do not let product enter drains; Avoid release into the environment
Methods for Cleanup: Absorb with inert material (sand, earth, vermiculite), then place in chemical waste container; Ventilate area; Clean spill area thoroughly
Disposal: Follow local, regional, and national regulations for disposal; Consult hazardous waste handler
Safe Handling: Use only in well-ventilated areas to minimize vapor exposure; Avoid all sources of ignition; Do not eat, drink, or smoke when using the product; Use spark-proof tools and explosion-proof equipment
Storage Conditions: Store tightly closed in a cool, dry, and ventilated location; Store away from oxidizers, acids, and heat; Keep container upright to avoid leakage; Separate from incompatible materials
Occupational Exposure Limits: OSHA PEL not established; ACGIH TLV not specifically listed, but recommended to use similar values as other aliphatic aldehydes (0.5 ppm TWA)
Engineering Controls: Use explosion-proof local exhaust ventilation; Eye wash stations and safety showers should be accessible
Personal Protection: Chemical-resistant gloves, safety goggles, face shield if risk of splashing, flame-retardant lab coat
Respiratory Protection: Suitable organic vapor respirator if exposure limits are exceeded or ventilation inadequate; Use air-supplied respirator for high concentrations
Appearance: Colorless to pale yellow liquid
Odor: Strong, penetrating grassy or fruity
Melting Point: -56°C
Boiling Point: 131–132°C
Flash Point: 25°C (closed cup)
Autoignition Temperature: 210°C
Explosion Limits: Lower: 1.2%, Upper: 7% (volume in air)
Vapor Pressure: 18 mmHg at 25°C
Vapor Density: 3.5 (air = 1)
Solubility: Slightly soluble in water; Miscible with most organic solvents
Partition Coefficient (log Kow): 1.78
Density: 0.814 g/cm³ at 20°C
Chemical Stability: Stable under recommended storage conditions; May oxidize if exposed to air
Reactivity: Reacts vigorously with oxidizing agents, strong acids, bases, and reducing agents
Hazardous Decomposition Products: Burning produces carbon monoxide, carbon dioxide, and potentially irritating aldehyde vapors
Conditions to Avoid: Exposure to heat, open flames, sparks, and direct sunlight
Polymerization: May occur in presence of acids or bases but not under normal handling conditions
Acute Toxicity: Oral LD50 (rat): 1670 mg/kg; Dermal LD50 (rabbit): > 2000 mg/kg
Inhalation Effects: Vapors can cause drowsiness, headache, dizziness, respiratory tract irritation
Skin Irritation: Causes irritation upon contact, potentially leading to dermatitis
Eye Effects: Can cause pain, redness, and watering
Chronic Exposure: Repeated or prolonged exposure may cause liver, kidney, and mucous membrane effects; Not classed as carcinogenic but long-term risk data sparse
Mutagenicity and Reproductive Toxicity: Information currently inadequate but no known connections in published studies; Practice care
Toxicity to Aquatic Life: Fish LC50 (96 h): 42.9 mg/L (Pimephales promelas); Daphnia EC50 (48 h): 22 mg/L
Persistence and Degradability: Biodegradable under aerobic conditions; Will degrade in presence of sunlight and microorganisms
Bioaccumulation Potential: Low, due to moderate partition coefficient and degradation
Mobility in Soil: Moderately mobile; May travel through soil and contaminate groundwater if spilled
Other Adverse Effects: Not considered persistent, bioaccumulative, or toxic under REACH guidance; Spills may harm aquatic organisms due to volatility and aldehyde toxicity
Waste Treatment Methods: Incinerate in approved facility; Do not pour down the drain or allow to reach watercourses
Contaminated Packaging: Rinse thoroughly; Dispose according to hazardous waste procedures
Disposal Recommendations: Consult national, state, and local waste authorities for direction; Do not reuse empty containers
Additional Notes: Take care to classify and segregate chemical waste with other incompatible substances
UN Number: 1993
UN Proper Shipping Name: Flammable Liquid, N.O.S. (contains N-Hexanal)
Transport Hazard Class: 3 (Flammable Liquid)
Packing Group: III
Labels Required: Flammable Liquid symbol
Marine Pollutant: Not classified as marine pollutant
Special Precautions: Secure containers during transport; Keep away from heat, open flames, and incompatible substances
TSCA (US): Listed on the Toxic Substances Control Act Inventory
REACH (EU): Registered and subject to specific restrictions on use
OSHA (US): Regulated as hazardous chemical; SARA Title III Section 311/312 hazard categories: Immediate (acute); Fire
WHMIS (Canada): Classified as Class B2 (Flammable Liquids), D2B (Toxic materials)
California Proposition 65: Not listed
Other Regulations: Follow guidance as per local occupational health and environmental protection laws; Safety data sheet available for employee reference
