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Product Name: Allicin
Chemical Formula: C6H10OS2
Synonyms: Diallyl thiosulfinate
CAS Number: 539-86-6
Intended Use: Research, pharmaceutical, flavoring
Manufacturer: Supplier and address as shipped
Contact Number for Emergency: Appropriate emergency number
Recommended Restrictions: Not for direct food or drug use without proper licensing
GHS Classification: Acute Tox. 4 (Oral), Skin Irritant 2, Eye Irritant 2
Signal Word: Warning
Hazard Statements: Harmful if swallowed; causes skin irritation; causes serious eye irritation
Pictograms: Exclamation mark symbol
Precautionary Statements: Avoid breathing dust or vapor; wear gloves and eye protection; wash thoroughly after handling
Potential Health Effects: Direct contact causes irritation, ingestion may produce discomfort or systemic effects, inhalation irritates mucous membranes
Chemical Name: Allicin
CAS Number: 539-86-6
Concentration: >95% pure for research grade material
Impurities: May include trace organosulfur compounds such as diallyl disulfide less than 1%
Molecular Weight: 162.28 g/mol
Description: Pale yellow oily liquid, pungent garlic odor
Inhalation: Remove to fresh air, keep at rest, call a medical provider if symptoms persist
Skin Contact: Take off contaminated clothing, wash skin immediately with soap and plenty of water
Eye Contact: Rinse carefully with water for several minutes, remove contact lenses if present and easy to do, get medical attention for persistent symptoms
Ingestion: Rinse mouth, seek immediate medical advice, do not induce vomiting unless directed by qualified personnel
Note for Medical Providers: Treat according to symptoms, support respiratory and cardiovascular function as needed
Suitable Extinguishing Media: Water spray, alcohol-resistant foam, dry chemical, or carbon dioxide
Unsuitable Media: Straight water streams
Hazards from Combustion: Releases toxic fumes of sulfur oxides, carbon oxides and volatile organosulfur compounds
Protection for Firefighters: Wear full protective gear and self-contained breathing apparatus
Special Procedures: Isolate fire area, cool exposed containers with water, avoid inhaling combustion products
Personal Precautions: Evacuate area, ventilate, avoid dust and vapor, wear protective equipment including gloves and eye protection
Environmental Precautions: Prevent from entering sewers and surface waters
Containment: Stop leak if safe to do so, use absorbent material like sand or vermiculite
Cleanup Methods: Collect residue in sealable non-metal containers, dispose according to local regulations, wash area with detergent and water
Handling: Work in well-ventilated areas, avoid direct contact with skin and eyes, use chemical fume hood if available
Storage Conditions: Store tightly sealed in cool, dry conditions, away from strong oxidizers and sunlight
Incompatibilities: Avoid storing near strong acids, bases, or oxidizing agents
Hygienic Practices: Wash hands after use, do not eat or drink in handling area, keep storage area clean and dry
Engineering Controls: Use local exhaust or general dilution ventilation
Personal Protective Equipment: Protective gloves (nitrile or equivalent), laboratory coat, safety goggles or face shield
Respiratory Protection: Use approved respirator in case of insufficient ventilation
Exposure Limits: No established exposure limit for Allicin, avoid unnecessary exposure
Environmental Limits: Avoid releases into soil or water, minimize occupational exposure
Appearance: Pale yellow liquid
Odor: Pungent garlic characteristic
Boiling Point: 80–85°C at 0.1 mmHg (decomposes)
Melting Point: Not available
Solubility: Slightly soluble in water, freely soluble in organic solvents such as ethanol
Vapor Pressure: Low at room temperature
Density: 1.112 g/cm³
pH: Not applicable
Flash Point: Not available
Chemical Stability: Readily decomposes in air and light, best handled under inert atmosphere
Reactivity: Reacts with oxidizing agents, decomposes to diallyl disulfide and other sulfur compounds
Hazardous Decomposition Products: Sulfur oxides, carbon oxides, other volatile sulfur compounds
Conditions to Avoid: Prolonged exposure to air, light, heat, and moisture
Polymerization: Will not polymerize
Acute Toxicity: LD50 (oral, rat): approx. 30 mg/kg
Skin Contact: Causes moderate to severe irritation, may cause allergic reactions
Eye Contact: Causes severe irritation and possible corneal damage
Inhalation: May cause respiratory tract irritation, coughing, headaches
Chronic Effects: No long-term studies in humans; based on animal studies, may cause liver or kidney effects with repeated exposure
Carcinogenicity: Not classified as carcinogenic by IARC, NTP, or OSHA
Additional Information: Handle with care due to potent bioactivity and irritation properties
Ecotoxicity: Harmful to aquatic organisms at high concentrations
Persistence and Degradability: Readily degrades in environmental conditions, short half-life in soil and water
Bioaccumulation Potential: Low, due to rapid breakdown
Mobility in Soil: Limited by strong odor and reactivity
Other Adverse Effects: No evidence for long-term environmental harm under typical use, attention necessary to accidental large-scale releases
Waste Disposal Method: Incinerate or dispose of material in accordance with local, national, and international regulations
Unused Product: Take to hazardous waste collection point
Contaminated Packaging: Triple rinse, may require handling as hazardous waste
Precautions: Avoid release to environment, do not landfill bulk material
UN Number: Not assigned as of latest data
Proper Shipping Name: Allicin
Transport Hazard Class: Classified as irritant, non-flammable liquid, check local requirements
Packing Group: III (if applicable)
Special Precautions: Protect from heat, seal containers tightly, transport with compatible goods
Road/Rail/Sea/Air: No restrictions for small quantities, check with carrier for bulk shipments
United States: Not listed on TSCA as bulk chemical, may require notification under SARA 313 if large-scale
European Union: Not classified as dangerous under EC 1272/2008; substance restrictions for food use
REACH Status: Registration may be required for significant use
Labeling Requirements: Signal word: Warning, pictograms for irritant
Other Regulations: Handle according to general laboratory safety, follow local and national legislation concerning storage and handling
West Ujimqin Banner, Xilingol League, Inner Mongolia, China
