Product Name: Caffeine
Chemical Name: 1,3,7-Trimethylxanthine
Synonyms: Trimethylxanthine, Thein, Guaranine, Mateine
Chemical Formula: C8H10N4O2
CAS Number: 58-08-2
Relevant Uses: Pharmaceutical industry, food and beverage additive, laboratory chemical, research and development
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GHS Classification: Acute Toxicity (Oral, Category 4), Specific Target Organ Toxicity (Single Exposure)
Signal Word: Warning
Hazard Statements: Harmful if swallowed, may cause drowsiness or dizziness, can irritate the eyes, skin, and respiratory tract
Precautionary Statements: Avoid breathing dust, wash thoroughly after handling, use only outdoors or in a well-ventilated area, wear protective gloves/eye protection
Route of Exposure: Inhalation, ingestion, skin, and eye contact
Potential Health Effects: Restlessness, rapid heartbeat, insomnia, nausea, vomiting, tremors, convulsions at high doses
Chemical Identity: Caffeine
Purity: More than 98%
Impurities: Trace xanthine derivatives, water, sometimes residual solvents
Molecular Weight: 194.19 g/mol
Ingredient Percent: 99-100%
Inhalation: Move person to fresh air, keep at rest, monitor breathing, seek medical attention if symptoms persist
Skin Contact: Remove contaminated clothing, rinse skin with water for 15 minutes, get medical help if irritation appears
Eye Contact: Rinse cautiously with water for several minutes, remove contact lenses, seek medical advice if redness or pain continues
Ingestion: Rinse mouth, seek immediate medical attention, do not induce vomiting unless instructed by medical personnel
Symptoms of Overexposure: Headache, agitation, heart palpitations, muscle tremors, confusion, seizures at very high amounts
Suitable Extinguishing Media: Water spray, carbon dioxide, dry chemical powder, foam
Unsuitable Media: High pressure water jets
Specific Hazards: Produces nitrogen oxides, carbon monoxide, carbon dioxide during combustion
Protective Equipment: Wear self-contained breathing apparatus and protective clothing
Special Procedures: Remove containers from fire area if safe, avoid inhaling fumes, stay upwind
Personal Precautions: Use dust mask, avoid direct contact, ventilate area
Environmental Precautions: Prevent run-off into drains, soil, or waterways, notify authorities if large spill occurs
Spill Clean-up: Sweep or scoop up without raising dust, place in labelled containers for disposal, wash area with plenty of water, ventilate room
Handling: Wear protective gloves and goggles, avoid breathing dust, handle in well-ventilated spaces, avoid contact with skin, eyes, and clothes, minimize dust generation
Storage: Store tightly sealed in a cool, dry, well-ventilated place, keep away from incompatible materials like strong oxidizers, acids, protect from moisture, store away from food and beverages
Engineering Controls: Use fume hood or local exhaust, keep containers closed
Occupational Exposure Limits: No established national OSHA permissible exposure limit; ACGIH TLV not assigned
Personal Protection Equipment: Laboratory coat, gloves made from nitrile or rubber, chemical safety goggles, approved respirator if airborne exposure risk exists
Hygiene Measures: Wash hands before breaks and after working with product, remove contaminated clothing, avoid eating and drinking in work area
Appearance: White, odorless, crystalline powder
Odor: Odorless
pH: Neutral (5.5-7 in solution)
Melting Point: 235-238°C
Boiling Point: Decomposes before boiling
Vapor Pressure: Negligible at 20°C
Water Solubility: 2 g/100 mL at 25°C
Solubility (other): Ethanol, chloroform, less in ether
Flash Point: Not applicable
Density: 1.23 g/cm3
Partition Coefficient (log Kow): -0.07
Auto-ignition Temperature: Above 600°C
Chemical Stability: Stable under normal temperatures and pressures, sensitive to moisture and light
Incompatible Materials: Strong oxidizing agents, strong acids, strong bases
Conditions to Avoid: Heat, humidity, prolonged exposure to air
Hazardous Reactions: Polymerization does not occur
Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide
Acute Toxicity: LD50 (oral, rat): 192 mg/kg
Chronic Toxicity: Long-term exposure may produce cardiovascular symptoms, insomnia, bone calcium loss if high doses consumed regularly
Irritation: Possible skin and eye irritation
Sensitization: Not classified as a skin sensitizer
Carcinogenicity: Not listed as carcinogen by IARC, NTP, OSHA
Mutagenicity: Negative in most standard tests
Reproductive Toxicity: Possible risk at high, chronic consumption levels
Sensory Effects: Causes alertness, mild diuretic effect, overconsumption linked to nervousness and palpitations
Ecotoxicity: Toxic to aquatic organisms at high concentrations in laboratory studies, has not been observed as acutely hazardous in environmental concentrations from typical usage
Persistence and Degradability: Moderately persistent, degraded relatively slowly in soil and water by microorganisms
Bioaccumulation: Not expected to bioaccumulate
Mobility in Soil: Readily dissolves and may move through soils and groundwater, especially in sandy areas
Other Adverse Effects: May disrupt aquatic habitats if released in large quantities
Waste Treatment Methods: Collect for disposal in a tightly sealed container, avoid dust formation
Disposal of Product: Dispose of in accordance with local, regional, and national regulations, incineration recommended for large quantities
Contaminated Packaging: Dispose of as unused product after proper cleaning
Environmental Cautions: Do not discharge into the environment, sewer systems, or surface waters
UN Number: Not classified as dangerous goods
Transport Hazard Class: Not regulated
Packing Group: Not applicable
Special Precautions: Use sealed packaging to limit moisture and contamination, avoid direct sunlight and humidity
Labels: Standard chemical label; not hazardous for air, sea, or road transport under normal conditions
Safety, Health and Environmental Regulations: Caffeine not listed as a controlled substance for most countries, subject to workplace exposure control standards and food safety laws
EPA: Not a hazardous chemical under SARA Title III or CERCLA
OSHA: General duty clause applies for safe workplace handling
WHMIS Classification: Not controlled under Canadian WHMIS
REACH: Listed; requires safe use and handling compliance in the European Union
Other Relevant Laws: Food and Drug Administration approval needed for use in foods and drugs, regulated allowable concentration limits in consumer beverages and supplements, local and national restrictions on maximum quantities in retail products may apply