Product Name: Thymoquinone
Synonyms: 2-Isopropyl-5-methyl-1,4-benzoquinone, Nigella sativa quinone
CAS Number: 490-91-5
Molecular Formula: C10H12O2
Molecular Weight: 164.20 g/mol
Manufacturer: Commonly supplied by chemical companies serving research laboratories and pharmaceutical firms
Recommended Use: Laboratory use, research, chemical synthesis
Contact Information: Refer to supplier’s support service for specific emergencies and technical questions
GHS Classification: Acute Toxicity Category 4 (oral, dermal), Skin Irritation Category 2, Eye Irritation Category 2B, Specific Target Organ Toxicity - Single Exposure Category 3
Signal Word: Warning
Hazard Statements: Harmful if swallowed or in contact with skin. May cause skin and eye irritation. May cause respiratory tract irritation.
Pictograms: Exclamation mark
Precautionary Statements: Wash hands thoroughly after handling. Avoid breathing dust, vapors, or spray. Wear protective gloves, clothing, and eye protection. Use only in well-ventilated areas. Do not eat, drink or smoke while handling the material.
Chemical Name: Thymoquinone
CAS Number: 490-91-5
Concentration: ≥98% (pure form for laboratory use)
Impurities: Typical manufacturing processes yield trace residuals, such as solvents or other benzoquinone derivatives, though reputable sources supply high-purity material.
Other Ingredients: No significant additives or stabilizers in pure compound.
Inhalation: Move the exposed person to fresh air. Get medical attention for ongoing cough, wheezing, or difficulty breathing.
Skin Contact: Remove contaminated clothing immediately. Wash affected area thoroughly with soap and water. Seek prompt medical advice if irritation continues.
Eye Contact: Immediately flush eyes with plenty of water for at least 15 minutes, lifting eyelids to ensure thorough rinsing. Consult a physician if redness or pain persists.
Ingestion: Rinse mouth with water if conscious. Avoid inducing vomiting unless directed by medical personnel. Seek medical attention and provide product information or labeling to responders.
Medical Notes: Symptoms may include cough, headache, skin or eye redness, gastrointestinal discomfort.
Suitable Extinguishing Media: Use dry chemical, carbon dioxide, foam, or water spray for fire fighting. Water jets may spread splashing and should be avoided.
Hazards from Combustion Products: May evolve toxic fumes of carbon monoxide, carbon dioxide, and noxious organic vapors.
Protective Equipment for Firefighters: Wear self-contained breathing apparatus (SCBA) and full protective gear. Move containers from fire zone if feasible without risk.
Special Procedures: Control run-off water to prevent environmental contamination.
Personal Precautions: Evacuate unprotected personnel from the area. Avoid direct contact with skin, eyes, or inhalation of dust.
Protective Equipment: Wear gloves, protective clothing, safety goggles, and an approved respirator appropriate for chemical dust or fumes.
Emergency Procedures: Ventilate the area. Avoid generating dust. Shut off sources of ignition.
Environmental Precautions: Prevent runoff into drains, sewers, or waterways.
Cleanup Procedures: Scoop up dry spills into suitable labeled containers for disposal. For liquid spills, absorb with inert materials such as sand or vermiculite, then sweep and transfer to chemical waste containers. Wash spill area with dilute detergent solution.
Handling: Work in a chemical fume hood or well-ventilated area. Avoid inhaling dust, ingesting, or direct skin contact. Practice good hygiene in the laboratory—wash thoroughly after handling and before eating or drinking.
Storage Conditions: Store in a tightly closed original container. Keep in a cool, dry, well-ventilated place, away from sources of ignition, strong oxidizers, and acids.
Specific Instructions: Protect from physical damage. Follow regulatory label instructions. Stock solutions keep best at recommended storage temperatures (2-8°C); pure compound can be stable at room temperature but should avoid high humidity or light exposure.
Incompatible Materials: Avoid storing near strong bases, oxidizing agents, and reducing substances.
Engineering Controls: Use chemical fume hoods, local exhaust ventilation, or equivalent engineering controls for airborne dust/vapor management.
Occupational Exposure Limits: No established ACGIH, OSHA, or NIOSH limits for thymoquinone at this time; handle as an irritant.
Personal Protection: Gloves (nitrile or neoprene), safety goggles, long-sleeved lab coat. For significant exposure, use a NIOSH-approved respirator designed for organic vapors and particulates.
Hygiene Measures: Wash exposed skin thoroughly after use. Remove contaminated clothing and launder before reuse. Do not eat or drink in the workspace.
Appearance: Yellow to orange crystalline powder or solid
Odor: Characteristic faint aromatic scent
Melting Point: 44 – 45°C
Boiling Point: 233°C (decomposes)
Solubility: Sparingly soluble in water, readily soluble in ethanol, chloroform, ether and most organic solvents
Density: Approximately 1.18 g/cm3
Vapor Pressure: No significant vapor under ambient conditions
Partition Coefficient (log Pow): 2.1 (estimated for similar benzoquinone derivatives)
pH: Not applicable for solids; slightly acidic in solution
Flammability: Combustible solid
Autoignition Temperature: Not determined
Other Properties: Stable under recommended storage. May stain hands and materials with yellowish tint.
Chemical Stability: Thymoquinone remains stable at room temperature under standard storage in an airtight container protected from light and moisture.
Conditions to Avoid: Excessive heat, open flame, and direct sunlight can degrade the substance or increase hazard.
Reactivity: Reacts with strong oxidizers, strong bases, and some reducing agents.
Incompatible Materials: Peroxides, strong sodium/potassium hydroxide, chlorinated agents.
Hazardous Polymerization: Not expected under normal storage or use.
Hazardous Decomposition Products: Burning or high-temperature decomposition can produce toxic fumes, including carbon monoxide and carbon dioxide.
Acute Toxicity: Oral LD50 for rodents (mouse/rat) estimated between 57-870 mg/kg. Toxic by ingestion, inhalation, or skin absorption in animal tests.
Skin Irritation: Contact can cause redness, dryness, and irritation.
Eye Irritation: Direct contact may result in redness, watering, and pain.
Respiratory Tract: Can irritate mucous membranes if dust or vapors are inhaled.
Chronic Exposure: Prolonged or repeated exposure may affect liver and other internal organs, supported by limited animal study data.
Carcinogenicity: Not listed by IARC, NTP, or OSHA as a known carcinogen; research ongoing.
Mutagenicity/Teratogenicity: Limited research—genotoxicity not clearly established.
Sensitization: Risk of allergic reaction in some sensitive individuals.
Ecotoxicity: Toxic to aquatic organisms based on related quinones; avoid release to waterways.
Persistence and Degradability: Biodegradability uncertain. Likelihood of persistence in the environment as an organic compound high unless treated at wastewater facilities.
Bioaccumulation Potential: May bioaccumulate in aquatic organisms based on estimated log Pow.
Mobility in Soil: Low water solubility limits mobility; may adhere to soils and sediments.
Environmental Precautions: Do not allow large quantities to reach ground, water bodies, or sewers. Notify local environmental authorities in case of significant spillage.
Waste Treatment Methods: Place in a tightly sealed, labeled waste container. Dispose through a licensed chemical disposal company or facility compliant with local, regional, and national regulations.
Contaminated Packaging: Triple rinse and follow local hazardous waste protocols before discarding. Do not reuse containers.
Special Instructions: Do not dispose dregs or solutions down the drain.
Additional Notes: Consult with environmental health and safety office to ensure regulatory compliance for hazardous laboratory chemicals.
UN Number: Not specifically assigned for thymoquinone. Transport as hazardous laboratory chemical if included with other toxic substances.
Proper Shipping Name: Chemical, n.o.s. (not otherwise specified)—hazard depends on formulation and packaging.
Transport Hazard Class: Generally ships as “Not regulated” under small-scale quantities, but confirm with local guidelines.
Packing Group: III (if considered toxic)
Environmental Hazards: Not classified as marine pollutant but prevent spillage.
Special Precautions for Users: Use leak-proof packaging, secondary containment.
Regulatory Status: Thymoquinone does not appear on major hazardous substance lists like CERCLA, SARA Title III, or California Proposition 65. Still, treat as hazardous in academic, research and chemical settings.
Inventory Listings: May be listed under TSCA for research purposes. Research and medical use governed by regional chemical safety laws.
Labelling Requirements: Full hazard communication (GHS-compliant labeling) required in workplaces.
Workplace Safety: Comply with OSHA Lab Standard, local health and safety policies.
Additional Guidance: Provide comprehensive risk assessment and train handlers. Consult Safety Office or regulatory authority for transport, storage, disposal, and record-keeping.
