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Product Name: Atovaquone
Synonyms: 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthalenedione
CAS Number: 95233-18-4
Molecular Formula: C22H19ClO3
Molecular Weight: 366.8 g/mol
Product Use: Pharmaceutical active ingredient, anti-protozoal drug used in malaria and Pneumocystis pneumonia treatment
Supplier: Pharmaceutical manufacturers, chemical distributors, research laboratories
GHS Classification: Not classified as hazardous under GHS criteria
Signal Word: None
Hazard Statements: May cause mild skin or eye irritation, dust may irritate respiratory tract
Precautionary Statements: Avoid dust formation, wash after handling, use with adequate ventilation, avoid inhalation
Pictograms: Not applicable
Routes of Exposure: Inhalation, skin and eye contact, ingestion
Potential Health Effects: Limited data suggest low toxicity; general principles call for careful handling due to pharmaceutical nature
Ingredient: Atovaquone
Chemical Name: 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthalenedione
Concentration: 100% or specified per formulation
Impurities / Additives: Varies by supplier, no significant impurities expected at pharmaceutical grade
Inhalation: Move to fresh air, seek medical attention if symptoms like coughing persist
Skin Contact: Wash skin thoroughly with soap and water, remove contaminated clothing
Eye Contact: Rinse immediately with plenty of water for at least 15 minutes, consult physician
Ingestion: Rinse mouth, seek medical advice if feeling unwell
Most Important Symptoms: Possible irritation, no chronic effects reported for acute exposure
Suitable Extinguishing Media: Water spray, dry chemical, foam, carbon dioxide
Unsuitable Media: Direct water jet in case of powder spillage may spread material
Hazardous Combustion Products: Hydrogen chloride, carbon oxides, possibly irritating fumes
Protective Equipment: Wear full protective gear, use self-contained breathing apparatus
Special Instructions: Avoid inhaling combustion products, clear area of unprotected personnel
Personal Precautions: Wear gloves, safety goggles, suitable protective clothing, avoid dust inhalation
Environmental Precautions: Prevent material from entering drains or surface water
Cleanup Methods: Sweep spilled material into suitable container, avoid creating dust, ventilate area
Waste Disposal: Dispose of residue as hazardous laboratory or pharmaceutical waste, following local regulations
Safe Handling: Handle in a chemical fume hood or well-ventilated area, avoid ingestion and skin or eye contact
Storage Conditions: Store in tightly closed containers, in a cool, dry, well-ventilated place, away from incompatible substances such as strong oxidizers
Incompatible Materials: Strong acids, bases, oxidizing agents
Engineering Controls: Use local exhaust ventilation or chemical fume hood to minimize exposure
Personal Protective Equipment: Safety glasses or goggles, lab coat, nitrile gloves
Respiratory Protection: Dust mask or respirator if powder or dust concentrations may be encountered
Hygiene Measures: Wash hands thoroughly after handling, do not eat or drink in work area, remove contaminated clothing promptly
Appearance: Yellow crystalline powder
Odor: Odorless or mild
Odor Threshold: Not available
pH: Not applicable (insoluble in water)
Melting Point: 220–225°C
Boiling Point: Not available
Flash Point: Not available
Evaporation Rate: Not applicable
Flammability (solid, gas): Not classified as flammable
Vapor Pressure: Not applicable
Vapor Density: Not available
Relative Density: 1.34 (estimated)
Solubility: Practically insoluble in water, soluble in organic solvents (e.g., DMSO)
Partition Coefficient (log Kow): 5.6
Decomposition Temperature: Not available
Viscosity: Not applicable
Chemical Stability: Stable under normal handling and storage conditions
Conditions to Avoid: Excessive heat, ignition sources, contact with strong oxidizers
Incompatible Materials: Strong acids, bases, oxidizing agents
Hazardous Decomposition Products: Hydrogen chloride, carbon oxides, possible formation of hazardous vapors in fire
Polymerization: Will not occur
Acute Toxicity: Low acute toxicity, oral LD50 in rats >5000 mg/kg
Skin Irritation: May cause mild irritation
Eye Irritation: May cause mild transient irritation
Respiratory Sensitization: No known risk
Carcinogenicity: Not classified as carcinogenic by OSHA, NTP, IARC or EU
Reproductive Effects: No evidence found in animal studies at anticipated exposure levels
Mutagenicity: No DNA damage or mutagenic effects observed in tested models
Long-term Effects: No chronic or cumulative toxicity reports found for occupational exposure
Ecotoxicity: Atovaquone exhibits low environmental toxicity at anticipated levels, though pharmaceutical compounds can pose aquatic hazards through bioaccumulation and persistence
Persistence and Degradability: Poorly biodegradable in natural environments, potential long-term accumulation in soils and sediments
Bioaccumulative Potential: Possesses high log Kow, indicating a potential for bioaccumulation
Mobility in Soil: Low water solubility restricts mobility, possible adherence to organic matter
Other Adverse Effects: No known impact on ozone depletion or greenhouse effect as a solid compound
Waste Disposal Methods: Collect and dispose in accordance with local, regional, and national regulations as hazardous pharmaceutical waste
Recommended Incineration: High-temperature incineration at licensed facility minimizes environmental release
Packaging Disposal: Empty containers should not be reused; treat as hazardous material and dispose according to regulations
UN Number: Not regulated for transport
UN Proper Shipping Name: Not classified as dangerous goods
Transport Hazard Class: Not applicable
Packing Group: Not applicable
Environmental Hazards: Not classified as a marine pollutant
Special Precautions: Avoid generation and spread of dust during handling and transport, ensure packaging is secure and intact
US TSCA: Not listed; pharmaceutical active substances generally exempt from chemical inventory requirements
EU Regulations (REACH): Not subject to registration as finished pharmaceutical active
OSHA: Not classified as hazardous in standard industrial use
WHMIS (Canada): Not controlled
Other Local Regulations: May be subject to specific health and safety, disposal, and environmental protection regulations in jurisdictions handling pharmaceuticals
