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Name: Triethyl Aconitate
Chemical Formula: C12H18O6
Synonyms: Ethyl hydrogen cis-aconitate, Triethyl propane-1,2,3-tricarboxylate
Molecular Weight: 258.27 g/mol
Physical Appearance: Clear or slightly yellowish oily liquid, faint ester odor
Uses: Found as a specialty chemical, employed mostly in organic synthesis, production of certain pharmaceuticals, and research laboratories. The exact customer base leans into chemical development and laboratory-scale synthesis rather than bulk manufacturing industries.
Main Hazards: Irritation to eyes, skin, respiratory system upon heavy exposure
Routes of Exposure: Inhalation, skin and eye contact
Symptoms: Redness or pain at contact points, coughing or sore throat in inhalation, no strong evidence of acute, chronic, or systemic toxicity in typical laboratory concentrations
Fire Hazard: Combustible at elevated temperatures; forms irritating or toxic fumes when burned
Health Hazard Risk: Considered low for most users, but risk increases with high-concentration handling or spill of large volume in enclosed space
Environmental Hazard: Spills threaten small aquatic environments, as the ester can create localized oxygen depletion as it breaks down.
Main Ingredient: Triethyl aconitate (purity usually above 95%)
Impurities: Minor traces of diethyl aconitate, ethyl aconitate (originate from synthesis)
Additives: None usually noted in commercial or lab-grade chemicals—generally shipped as neat liquid
Concentration: Supplied as pure, undiluted compound in bottles, typically for laboratory or synthesis purposes.
Eye Contact: Immediately rinse opened eye for several minutes under running water. Physical removal of contact lenses speeds improvement. Seek medical review if irritation realigns.
Skin Contact: Remove contaminated clothing. Wash skin with soap and water. Delayed redness or itching can occur—medical attention offers best reassurance.
Inhalation: Move to fresh air. Support breathing normally. Persistent cough or burning warrants medical check.
Ingestion: Rinse mouth with water if alert. Do not induce vomiting unless directed by physician. Monitor for gastric distress.
General Advice: For splashes or spills over large areas, always consult a trained responder.
Suitable Extinguishing Media: Foam, dry chemical powder, carbon dioxide; avoid direct water jets
Hazardous Combustion Products: Produces carbon oxides; decomposition at elevated temperature can generate smoke, possible trace acids
Protective Actions for Firefighters: Protective mask and breathing equipment needed; seal off area, cool exposed containers; residues after fire may pose slip or contact hazards
Explosion Risk: Rates low, especially compared to more volatile organics, but high temperature fires risk container rupture.
Personal Precautions: Wear suitable gloves, goggles, and laboratory coat; avoid breathing vapor
Clean-up Methods: Absorb on inert material (sand, diatomaceous earth), collect in appropriate waste container. Immediate cleaning limits spread
Environmental Precautions: Keep chemical out of surface water and drains
Large Spills: Require team response, possible notification of environmental health and safety authorities, ventilation of enclosed areas.
Handling: Carry out operations in ventilated spaces. Keep bottle tightly capped. Avoid skin or eye contact. No open flames
Storage: Store in a cool, dry location, out of direct sunlight, away from oxidizers or strong acids. Segregate from materials sensitive to esters. Laboratories typically use secondary containers or chemical cabinets.
Incompatible Materials: Avoid contact with strong bases, oxidizing substances—may degrade or produce heat and corrosive vapors if mishandled.
Engineering Controls: Typical usage under chemical fume hood; local exhaust protects better when working on open bench
Personal Protective Equipment: Nitrile gloves, chemical splash goggles, laboratory coat; avoid contacts lenses during direct handling
Respiratory Protection: Not usually required during routine use, but respirators advised for large quantities or spill clean-ups
Work Practices: Change gloves often; avoid eating, drinking, or smoking while handling the material.
Physical State: Oily liquid
Color: Clear to pale yellow
Odor: Faint, sweet, ester-like
Boiling Point: Estimated above 100°C
Water Solubility: Slightly soluble; breaks down slowly with hydrolysis
Density: Estimated 1.18 - 1.20 g/cm³
Vapor Pressure: Very low under ambient conditions
Other Properties: Readily dissolves in common organic solvents such as ethanol, diethyl ether.
Chemical Stability: Stable at room temperature in tightly closed containers
Reactivity: Non-reactive under standard lab conditions. Decomposes under acidic or basic hydrolysis
Conditions to Avoid: Heat, direct sunlight, moisture, and strong oxidizers
Hazardous Decomposition: Carbon monoxide, carbon dioxide, traces of acetic and aconitic acids may form at high temperatures
Polymerization: Not prone to hazardous polymerization.
Likely Routes of Exposure: Skin, eye, inhalation
Acute Toxicity: Low based on structural similarity to other esters; no official LD50 reported for triethyl aconitate but handled with care due to irritation risk
Chronic Effects: No evidence for mutagenicity, carcinogenicity, or reproductive toxicity in public records for this ester
Irritation/Sensitization: Can induce mild skin and eye irritation, rare allergic reaction
Aspiration hazard: Not considered a significant risk in laboratory handling.
Ecotoxicity: Little data on aquatic toxicity; as an organic ester, it may degrade slowly and contribute to oxygen depletion if released in volume
Environmental Fate: Will break down mainly through hydrolysis and microbial processes in water and soil
Bioaccumulation: No reliable data for bioaccumulation; low risk expected given rapid breakdown
Impact on Sewage Treatment: Not expected to cause disruption if managed at laboratory scale; should not be poured down the drain.
Waste Treatment Methods: Collect as organic solvent waste, treat by incineration in accordance with local environmental regulations
Disposal Precautions: Avoid landfilling; unauthorized landfill disposal risks groundwater and surface water contamination
Recommended Disposal Route: Delivery to certified chemical disposal facility, never flush to drains or septic systems.
UN Number: Not typically assigned for non-hazardous organic liquids of this type
Proper Shipping Name: Organic liquid, n.o.s. (Not otherwise specified)
Transport Hazard Class: Not regulated for ground, air, or sea under standard quantities used in research
Packing Group: No special requirements for non-bulk containers
Special Precautions: Keep tightly sealed, upright; shipment often as limited quantity.
Occupational Exposure Limits: None established for triethyl aconitate specifically
Chemical Inventory Status: Registered on most international inventories; not classed as major hazard under GHS, CLP, TSCA, or REACH in typical uses
Labeling Requirements: General chemical warning; no special pictograms for non-bulk laboratory uses
Other Compliance: Local environmental rules may govern quantities stored or used; always check regional regulations for safe use.
