Chemical Name: 3,5-Dimethylbenzothiophene
Synonyms: Benzothiophene, 3,5-dimethyl-
CAS Number: 13649-88-2
Molecular Formula: C10H10S
Molecular Weight: 162.25 g/mol
Recommended Use: Laboratory chemical, intermediate for organic synthesis
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GHS Classification: Not classified under GHS for physical and health hazards in most commercial forms, though moderate irritation is possible with direct contact.
Signal Word: None
Hazard Statements: May cause skin and eye irritation, inhalation exposure may provoke mild respiratory discomfort.
Pictogram: None required
Precautionary Statements: Avoid dust generation, avoid unnecessary inhalation, ensure adequate ventilation, wash thoroughly after handling.
Routes of Exposure: Skin, eyes, inhalation.
Chemical Name: 3,5-Dimethylbenzothiophene
Concentration: >98% (as commercial product)
Impurities: Trace polycyclic aromatics, sulfur compounds may occasionally be present in analytical trace amounts.
Eye Contact: Rinse cautiously with water for several minutes, use plenty of water. Remove contact lenses if easy to do. Seek medical attention if discomfort continues.
Skin Contact: Wash off the area with soap and water, remove contaminated clothing and shoes. Get medical attention if irritation occurs or persists.
Inhalation: Remove person to fresh air. Seek medical advice if symptoms occur.
Ingestion: Rinse mouth with water, do not induce vomiting. Seek medical attention if feeling unwell.
Note: No specific antidote, treat symptomatically.
Suitable Extinguishing Media: Use water spray, foam, carbon dioxide, or dry chemical powder. Avoid direct water jets.
Specific Hazards: Emits toxic fumes of carbon oxides and sulfur oxides if ignited, dense smoke forms quickly.
Protective Equipment: Firefighters should wear self-contained breathing apparatus and full protective clothing.
Advice: Move containers out of fire area if you can do it safely, avoid inhalation of smoke.
Personal Precautions: Avoid direct contact, use gloves and eye protection, keep unnecessary personnel away.
Environmental Precautions: Prevent entry to drains, soil and surface waters, avoid contamination during cleanup.
Cleanup Methods: Absorb spillage with inert material like sand or earth, sweep up and collect for disposal, ventilate the area.
Decontamination: Wash spill area with water after material pick-up is complete.
Handling: Use in well-ventilated area, avoid breathing dust or vapor, wear appropriate protective gear such as gloves and goggles, avoid contact with skin or eyes, wash hands after handling.
Storage: Keep container tightly closed, store in cool, dry, well-ventilated place away from heat, open flame, and incompatible chemicals like strong oxidizers.
Incompatibilities: Avoid contact with strong acids, bases, and oxidizing agents, which can increase risk of hazardous decomposition.
Occupational Exposure Limits: Not established for this compound, recommend minimizing exposure as a precaution.
Engineering Controls: Local exhaust ventilation or general dilution ventilation to control airborne levels.
Respiratory Protection: Use NIOSH-approved respirator if exposure limits may be exceeded or if ventilation is inadequate.
Skin Protection: Wear chemical-resistant gloves.
Eye Protection: Use safety goggles or face shield to prevent eye contact.
Hygiene Measures: Do not eat, drink, or smoke near product. Wash thoroughly after use.
Appearance: Pale yellow crystalline solid or powder.
Odor: Mild aromatic odor.
Odor Threshold: Not available.
pH: Not applicable (insoluble in water).
Melting Point/Freezing Point: 54-58°C
Boiling Point: 288-290°C
Flash Point: >100°C (closed cup, estimated)
Evaporation Rate: Not determined.
Flammability: Not readily flammable, but will burn if strongly heated and ignited.
Vapor Pressure: Negligible at room temperature.
Vapor Density: Heavier than air.
Relative Density: 1.12-1.18 g/cm³
Solubility: Insoluble in water, soluble in organic solvents like ethanol, benzene, ether.
Partition Coefficient (n-octanol/water): Not available.
Auto-ignition Temperature: Not available.
Decomposition Temperature: Not specified.
Viscosity: Not applicable (solid at standard temperature).
Chemical Stability: Stable at room temperature and under normal handling conditions.
Reactivity: Not reactive under normal conditions, can react with strong oxidizing agents.
Hazardous Reactions: No hazardous polymerization expected.
Hazardous Decomposition Products: May release toxic fumes of sulfur oxides and carbon oxides on combustion or thermal decomposition.
Incompatible Materials: Keep apart from strong acids, alkalis, and oxidizing agents.
Acute Toxicity: No acute toxicity data available for this compound, analogues suggest low toxicity by ingestion, inhalation, or dermal exposure.
Potential Health Effects: Skin and eye irritation, mild respiratory tract irritation if dust is inhaled, no known carcinogenicity or mutagenicity reported for this compound, structurally related compounds usually show low toxicity.
Chronic Exposure: No chronic exposure effects were identified.
Other Data: Not listed by ACGIH, IARC, NTP or OSHA as a carcinogen.
Ecotoxicity: No detailed ecotoxicity studies available, expected to be toxic to aquatic life based on structure and resemblance to other polycyclic aromatic sulfur compounds.
Persistence and Degradability: Likely to persist in the environment due to low solubility in water and chemical stability, slow biodegradation can be expected.
Bioaccumulative Potential: Likely to bioaccumulate in aquatic organisms due to low water solubility and high log Kow (partition coefficient for similar compounds).
Mobility in Soil: Expected to have low mobility due to limited solubility and strong adsorption to soil particles.
Other Adverse Effects: Do not discharge untreated material into the environment.
Waste Disposal Method: Dispose of as hazardous waste following local, regional, or national regulations. Material should not be released into the environment.
Contaminated Packaging: Containers should be recycled or disposed of by authorized waste management facilities.
Additional Guidance: Never dispose with normal household or municipal waste. Consult local waste authority for proper disposal practices.
UN Number: Not regulated for transport under standard international transport regulations (IATA, IMDG, ADR).
Transport Hazard Class: Not classified as dangerous goods for road, rail, or air transport.
Packing Group: Not applicable.
Proper Shipping Name: 3,5-Dimethylbenzothiophene.
Special Precautions: Prevent spillage during transport. Keep container upright and tightly closed.
TSCA: Appears in the United States TSCA inventory.
REACH Status: Not registered under REACH as of last check.
OSHA Status: Not regulated as a hazardous material.
SARA Title III: Not listed as an extremely hazardous substance.
California Proposition 65: Not listed.
WHMIS (Canada): Not a controlled product.
Other Regulations: Review specific requirements in your country or region regarding handling, labeling, and environmental release.
