Chemical Name: Isoestragole
Synonyms: 4-Allylanisole, Estragole, 1-Methoxy-4-allylbenzene
CAS Number: 140-67-0
Recommended Use: Used in fragrance, flavoring, and as a chemical intermediate in lab settings
Supplier Information: Manufacturer contact, phone number, and mailing address must be listed on the specific product sheet
Emergency Contact: Local poison control and fire department should be reachable at all hours
GHS Classification: Flammable liquid (Category 3); Acute toxicity (oral, Category 4); Skin irritation (Category 2); Eye irritation (Category 2A); Suspected carcinogen
Signal Word: Warning
Hazard Statements: Causes skin and eye irritation, harmful if swallowed, flammable liquid and vapor, suspected of causing cancer
Pictograms: Exclamation mark, flame, health hazard
Precautionary Statements: Avoid breathing vapor, keep away from open flames and hot surfaces, wear protective gloves and goggles. Wash hands thoroughly after handling
Component: Isoestragole
Chemical Formula: C10H12O
Concentration: Usually 95–100% by weight on commercial stock
Impurities: Methyl chavicol, safrole, trace phenolic compounds possible from extraction process
Additives: No stabilizing agents commonly added, though bulk storage may include inert gas blanketing
Inhalation: Move to fresh air immediately, keep at rest, seek medical attention if symptoms persist
Skin Contact: Remove contaminated clothing, rinse skin with water for at least 15 minutes, mild soap can help, medical consulting needed for irritation
Eye Contact: Flush eyes with gentle stream of clean water for 15 minutes; avoid rubbing, keep eyelids apart
Ingestion: Rinse mouth if conscious, never induce vomiting. Emergency medical help required promptly
Symptoms: Headache, dizziness, stomach pain, skin redness, coughing, eye watering reported on strong exposure
Suitable Extinguishing Media: Standard dry chemical, foam, or carbon dioxide preferred; avoid direct water stream
Unsuitable Extinguishing: Do not attempt with high-pressure water, possibility of spreading flammable liquid
Hazards from Combustion: In burning, releases carbon monoxide, carbon dioxide, toxic fumes
Protective Equipment: Full face self-contained breathing gear, fire-retardant coat and gloves necessary
Firefighting Tips: Keep containers cool with water mist; evacuate non-essential personnel. Liquid runoff risk of re-ignition
Personal Precautions: Evacuate area, ventilate; minimize breathing vapors; wear protective goggles, gloves, and respirator
Environmental Precautions: Prevent entry into drains, natural waters, and soil
Methods for Containment: Small spills can be collected with sand or inert absorbent; large spills dike and collect in salvage drums
Cleaning up: Shovel absorbed compound into secure, labeled drums. Area must be washed with detergent and water to remove residue
Handling: Keep container tightly closed, use only in well-ventilated areas; avoid inhalation or direct skin exposure; maintain clean, labeled workspaces
Storage: Keep in cool, well-ventilated place, away from light and sources of ignition. Store only in compatible containers, typically glass or HDPE. Routine checks on container integrity required.
Storage temperature: Near room temperature, freezing not recommended, avoid prolonged storage above 25°C
Incompatibilities: Strong oxidizers, acids, open flames, and heat sources increase hazard
Exposure Limits: Not established for Isoestragole specifically by OSHA, NIOSH, or ACGIH. Precaution follows comparable aromatic ethers
Engineering Controls: Eyewash stations and emergency showers nearby; local exhaust ventilation required at points of emission
Personal Protection: Nitrile gloves, long-sleeved chemical-resistant lab coat, sealed safety goggles, and splash shield in busy labs
Respiratory Protection: For vapor concentrations above guideline, use organic vapor cartridge respirator or supplied-air system
Appearance: Colorless to pale yellow liquid
Odor: Sweet, anise-like fragrance
Melting Point: About -3°C
Boiling Point: 216–218°C
Flash Point: Around 75°C (closed cup)
Vapor Pressure: Low at room temperature
Solubility: Insoluble in water, soluble in ethanol, diethyl ether, and most organics
Density (20°C): About 0.97 g/cm³
Viscosity: Thin, mobile liquid at ambient temperatures
Chemical Stability: Generally stable at normal temperatures and pressure, though storage in light and heat speeds up degradation
Reactivity: Avoid mixing with strong acids or oxidizers due to exothermic reactions
Hazardous Decomposition: Thermal breakdown gives off carbon oxides and possibly aromatic hydrocarbons
Hazardous Polymerization: May occur in the presence of strong acids, so avoid such contact
Acute Toxicity: Oral LD50 ranges about 1,350 mg/kg in rats; moderate toxicity
Skin Irritation: Direct application may lead to redness, inflammation, or blistering
Eye Irritation: Causes watering and stinging, can worsen with accidental rubbing
Chronic Effects: Carcinogenic activity noted in some rodent studies. Long-term skin exposure not advised
Routes of Entry: Inhalation, ingestion, eye and skin contact
Ecotoxicity: Limited field data, but aromatic ethers generally harmful to aquatic life at moderate concentrations
Persistence/Degradability: Not quickly degraded by most natural processes in water or soil
Bioaccumulative Potential: Some potential for accumulation in aquatic food webs based on similar compounds
Mobility: Remains mobile in fresh water, likely to partition into sediment over time
Waste Handling: Collect in tightly sealed, labeled drums
Disposal Method: Incineration preferred at approved chemical waste facilities
Contaminated Packaging: Triple-rinse containers, remove labels, dispose under hazardous regulations
Regulatory Note: Never dump untreated substance into municipal sewers, surface waters, or open ground
UN Number: 1993
UN Proper Shipping Name: Flammable liquid, NOS (contains Isoestragole)
Transport Hazard Class: 3 (Flammable liquid)
Packing Group: III
Marine Pollutant: Considered potentially harmful if released, check local regulation
Special Precautions: Ship in original container, avoid extreme temperatures. Label clearly and keep upright
OSHA: Not specifically regulated, but general chemical hygiene rules apply
TSCA: Listed on the United States Toxic Substances Control Act Inventory
California Proposition 65: Isoestragole noted on list as a possible carcinogen
EU Regulations: Falls under Regulation (EC) No 1272/2008 for classification, labelling and packaging
Other Regulatory Status: Always check with local, state, national guidelines before major handling or disposal
