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Chemical Name: Isoxepac
Synonyms: 3-(4-Isoxazolyl)phenylacetic acid
CAS Number: 55453-87-7
Molecular Formula: C11H9NO3
Recommended Use: Pharmaceutical intermediate, research, and development applications
Supplier Details: Manufacturer or distributor's name, full address, available phone number for emergencies
Emergency Contact: Appropriate 24-hour emergency telephone number, recommended poison control center
Product Form: Solid, crystalline powder
EC Number: 259-489-0
Relevant Identified Uses: Laboratory chemical, industrial applications, non-consumer use
Restriction on Use: Not for non-laboratory or non-industrial applications, not for direct human consumption
GHS Classification: Acute toxicity (oral, category 4), Eye irritation (category 2A), Skin irritation (category 2), Specific target organ toxicity (single exposure, category 3)
Pictograms: Exclamation mark
Signal Word: Warning
Hazard Statements: Harmful if swallowed, Causes skin irritation, Causes serious eye irritation, May cause respiratory irritation
Precautionary Statements: Avoid breathing dust or vapors, wash hands thoroughly after handling, use personal protective equipment, do not eat, drink, or smoke when using
Other Hazards: Combustible dust hazard if finely divided and dispersed in air, long-term exposure may impact liver and kidneys in animal studies
Chemical Name: Isoxepac
Concentration: ≥99% (as supplied)
Impurities: Traces of related aromatic compounds & process residues, no significant other ingredients
Molecular Weight: 203.19 g/mol
Component Analysis: No components classified as hazardous beyond the main active
Inhalation: Remove to fresh air. Seek medical attention if symptoms such as shortness of breath, throat irritation, or coughing occur. Keep at rest.
Skin Contact: Rinse skin immediately and thoroughly with water for at least 15 minutes. Remove contaminated clothing. Seek medical advice for persistent irritation or redness.
Eye Contact: Flush eyes with plenty of water for at least 15 minutes, lifting eyelids occasionally. Remove contact lenses if present and easy to do. Seek immediate medical attention.
Ingestion: Rinse mouth thoroughly. Do not induce vomiting without professional advice. Seek prompt medical attention—even in absence of obvious symptoms.
Immediate Medical Attention Required: In cases of difficulty breathing, loss of consciousness, or severe irritation following exposure
Suitable Extinguishing Media: Use foam, dry chemical, carbon dioxide, or water spray. Avoid high-pressure streams.
Unsuitable Extinguishing Media: Do not use water jets that may spread powder particles.
Hazardous Combustion Products: Emits toxic fumes of carbon oxides, nitrogen oxides during combustion.
Protection for Fire-Fighters: Wear self-contained breathing apparatus, full protective gear, and operate from a safe distance. Use caution due to potential dust explosion hazards.
Special Precautions: Prevent runoff water from entering drains or watercourses. Remove containers from fire area if safe.
Personal Precautions: Evacuate non-essential personnel, keep unnecessary people away. Wear protective clothing including gloves, goggles, suitable respirator.
Environmental Precautions: Prevent uncontrolled release into environment, especially waterways. Notify authorities in case of large spills.
Containment Methods: Avoid dust formation. Carefully sweep or vacuum up without stirring up dust, place in suitable closed containers for disposal.
Clean-up Procedures: Avoid dry sweeping. Use wet methods or industrial vacuum with HEPA filter. After removal, wash spill area with water and detergent.
Disposal: Dispose collected material according to local regulations as hazardous chemical waste.
Handling: Minimize dust generation and accumulation. Use with sufficient local exhaust ventilation. Wear appropriate PPE—gloves, goggles, mask as required. Keep away from sources of ignition. Do not eat, drink, or smoke while handling.
Precautions: Wash thoroughly after handling, keep work area clean.
Storage Conditions: Store in tightly closed original container. Keep in a cool, dry, well-ventilated location, away from strong oxidizers, acids, and alkalis.
Temperature Requirements: Room temperature (recommended); avoid excessive heat and humidity
Storage Incompatibilities: Isolate from strong oxidizing agents, reactive chemicals.
Occupational Exposure Limits: No specific national or international exposure limits set for Isoxepac as of latest update; handle as hazardous dust.
Engineering Controls: Use local exhaust ventilation, enclosed process equipment when possible. Ensure eyewash stations and safety showers are nearby.
Respiratory Protection: Wear approved dust mask or respirator (EN143, NIOSH N95 or better) under dusty conditions.
Eye Protection: Wear chemical splash goggles or safety glasses.
Skin Protection: Use appropriate protective gloves (nitrile, PVC) and laboratory coats.
Hygiene Measures: Wash hands and forearms after handling, remove contaminated clothing.
Appearance: White to off-white crystalline powder
Odor: Odorless
Odor Threshold: Not determined
pH: Not applicable in solid form
Melting Point/Freezing Point: Typically 155–158°C
Boiling Point: Not applicable (decomposes before boiling)
Flash Point: Not determined (combustible solid, treat as dust hazard)
Evaporation Rate: Not applicable
Flammability: May form combustible dust-air mixtures
Vapor Pressure: Negligible at room temperature
Vapor Density: Not applicable
Shelf Life: Up to 3 years in sealed, proper storage conditions
Solubility: Slightly soluble in water, more soluble in ethanol, DMSO
Partition Coefficient (Log Kow): Not available
Auto-Ignition Temperature: Not available
Decomposition Temperature: Above 200°C
Viscosity: Not applicable
Chemical Stability: Stable under recommended storage and handling conditions
Possibility of Hazardous Reactions: No hazardous polymerization under normal conditions
Conditions to Avoid: Excessive heat, open flames, sources of ignition, incompatible materials
Incompatible Materials: Strong oxidizing agents, strong acids, strong bases
Decomposition Products: Carbon dioxide, carbon monoxide, nitrogen oxides, irritating organic vapors
Acute Toxicity: Oral LD50 (rat, estimated): >300–2000 mg/kg
Skin Corrosion/Irritation: Causes skin irritation in contact studies
Serious Eye Damage/Irritation: Causes moderate-to-severe eye irritation
Respiratory Sensitization: Dust inhalation may cause respiratory tract irritation
Skin Sensitization: Repeated skin exposure may cause contact dermatitis
Chronic Effects: Repeated exposure can affect liver and kidneys based on animal experiments
Mutagenicity, Carcinogenicity, Reproductive Toxicity: Not classified as a mutagen, carcinogen, or reproductive toxin in available literature
Symptoms of Exposure: Eye redness, stinging, dry skin, cough, shortness of breath, upset stomach if swallowed
Eco-toxicological Data: No comprehensive aquatic toxicity data; structurally related compounds have moderate aquatic toxicity
Persistence and Degradability: Expected to be poorly biodegradable, potentially persistent
Bioaccumulative Potential: Moderate (no experimental data, based on structure)
Mobility in Soil: Not highly mobile; may adhere to soils and sediments
Other Adverse Effects: Prevent entry into waterways, drains, or soil—potential risk to aquatic and terrestrial species over time
Waste Disposal Methods: Dispose of product as hazardous chemical waste in accordance with local, regional, and national regulations. Do not discharge to sewer systems, soils, or surface water.
Container Disposal: Triple rinse empty containers; puncture or crush, then dispose through appropriate hazardous waste contractor.
Special Precautions: Incineration recommended for bulk materials in licensed facility. Avoid landfill unless permitted under local regulation.
Regulatory References: Follow guidelines of EPA, EU, or applicable authorities.
UN Number: Not classified as dangerous goods for transport under UN Model Regulations
Proper Shipping Name: Not regulated
Transport Hazard Class: Not applicable
Packing Group: Not applicable
Environmental Hazards: Not classified as marine pollutant
Special Precautions for User: Keep container tightly sealed during transport; avoid spillage, keep away from incompatible substances; carry with all labelling and documentation as per local requirements.
Land, Sea, Air Transport: Follow basic precautions for laboratory chemicals during all modes of transport.
Regulatory Status: Not explicitly regulated under major chemical safety legislation such as REACH, TSCA, WHMIS, or GHS—handle according to good laboratory practice for hazardous chemicals.
Labeling Requirements: Comply with GHS labeling for laboratory chemicals—hazard pictograms, hazard statements, precautionary statements.
Chemical Safety Assessment: Not required for quantities used in laboratory and R&D settings, assessment recommended for manufacturing or industrial-scale use.
National and International Inventories: CAS number may appear on country-specific chemical inventories; verify status before import/export.
Other Requirements: Provide access to this MSDS for all users, ensure staff are properly trained, maintain records of use and handling as per occupational safety rules.
