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Product Name: Isobutylbenzene
Chemical Formula: C10H14
Synonyms: 2-Phenylbutane, Isobutylbenzol
CAS Number: 538-93-2
Molecular Weight: 134.22 g/mol
Recommended Use: Intermediate in chemical synthesis, especially in pharmaceutical manufacture
Supplier: Refer to current vendor label for address, contact, and emergency telephone
Emergency Contact: Access National Poison Control or ChemTrec for immediate guidance
Classification: Flammable liquid, irritant
GHS Label Elements: Flame, Exclamation mark symbols
Signal Word: Warning
Hazard Phrases: Flammable liquid and vapor; Causes skin and eye irritation; May cause drowsiness or dizziness
Precautionary Statements: Keep away from heat, sparks, open flames; Wear protective gloves, protective clothing, eye protection, face protection; Only use outdoors or in a well-ventilated area; Avoid breathing vapors or mist; Wash hands thoroughly after handling
Possible Routes of Exposure: Inhalation, skin contact, eye contact, ingestion
Potential Acute Health Effects: Irritates mucous membranes, dizziness, nausea upon inhalation, redness, irritation on contact with skin or eyes
Potential Chronic Health Effects: Organ effects from prolonged exposure not well documented but caution always applies with aromatic hydrocarbons
Chemical Name: Isobutylbenzene
CAS Number: 538-93-2
Concentration: >99%
Impurities: Trace amounts of related hydrocarbons may be present depending on purity grade
Stabilizers/Additives: None typically added in commercial material
Inhalation: Move affected person to fresh air immediately. Keep comfortable for breathing. Seek medical attention if symptoms persist such as cough, headache, or drowsiness.
Skin Contact: Remove contaminated clothing. Wash skin with plenty of soap and water. If irritation develops or persists, consult medical services
Eye Contact: Rinse eyes with large amounts of water for 15 minutes, holding eyelids apart to ensure rinsing of entire surface and underlying tissue. Remove contacts if present and easy to do. Get medical help for persistent irritation
Ingestion: Do not induce vomiting. Rinse mouth, give water if the person is conscious and alert. Get medical attention promptly
General Notes: Ensure responders wear suitable PPE. Provide symptom-supportive care as soon as possible
Suitable Extinguishing Media: Foam, CO2, dry powder, water spray (do not use full water jet directly)
Specific Hazards: Vapors may form explosive mixtures with air and spread along ground. Sealed containers may explode when heated. May emit toxic fumes under fire conditions (carbon oxides).
Firefighting Instructions: Evacuate area, cool containers with water from safe distance. Approach fire from upwind. Use self-contained breathing apparatus and full protective suit.
Unusual Fire Hazards: Low flash point, significant vapor pressure; take precautions to avoid static discharge. Extinguish all ignition sources prior to fire response.
Personal Protection: Use chemical-resistant gloves, goggles, and impermeable clothing. Use respirator if ventilation is inadequate. Remove all sources of ignition.
Environmental Precautions: Prevent run-off to drains or surface water. Notify authorities if large quantities enter environment.
Cleanup Methods: Contain and absorb with inert absorbent (sand, earth, vermiculite). Collect waste in suitable containers for disposal. Wash area with water after cleanup.
Additional Measures: Ventilate area well. Warn others nearby of spillage and hazards. Discard contaminated cleaning materials per local guidelines.
Safe Handling: Avoid contact with skin, eyes, and clothing. Use ventilation or local exhaust. Do not breathe vapors. Use only non-sparking tools and explosion-proof equipment.
Storage Conditions: Store in a cool, dry, well-ventilated area away from heat sources, open flames, and strong oxidizers. Keep container tightly closed when not in use.
Incompatibilities: Strong oxidizing agents, acids, halogens. Do not store in direct sunlight or above ambient temperature.
Other Recommendations: Label storage containers clearly. Ground and bond containers during transfer to prevent static buildup.
Occupational Exposure Limits: No specific ACGIH or OSHA limits; recommend minimizing exposure as for general aromatic hydrocarbons
Engineering Controls: Ensure adequate local exhaust at points of vapor generation; general area ventilation
Personal Protection Equipment: Gloves (nitrile or neoprene), chemical splash goggles, lab coat or apron, vapor respirator if threshold values may be exceeded
Hygiene: Wash hands and face after handling. Take off contaminated clothing and wash before reuse.
Monitoring: Regular air monitoring suggested for industrial-scale use, especially in confined spaces or hot climates.
Appearance: Clear colorless liquid
Odor: Characteristic aromatic smell
Odor Threshold: Not established
pH: Not applicable (non-aqueous)
Melting Point: -60°C
Boiling Point: 170–173°C
Flash Point: 49°C (closed cup)
Evaporation Rate: Moderate relative to water
Flammability: Highly flammable liquid
Upper/Lower Flammability or Explosive Limits: LEL: 1.0% v/v; UEL: 7.3% v/v
Vapor Pressure: 1.6 mm Hg @ 20°C
Vapor Density: 4.6 (air = 1)
Relative Density: 0.857 g/cm³
Solubility: Insoluble in water, soluble in organic solvents (ether, ethanol)
Partition Coefficient (n-octanol/water): logKow ≈ 4.0
Auto-ignition Temperature: 490°C
Decomposition Temperature: Not available
Viscosity: Not established
Stability: Stable under recommended storage and handling conditions
Hazardous Polymerization: Does not occur
Conditions to Avoid: Exposure to open flames, hot surfaces, and sources of ignition
Materials to Avoid: Strong oxidizing agents such as peroxides, nitrates, and halogens
Hazardous Decomposition Products: Carbon monoxide, carbon dioxide; small amounts of irritating aldehydes or hydrocarbons if burned incompletely
Likely Routes of Exposure: Inhalation, skin, eye, ingestion
Acute Toxicity: LD50 (oral, rat): >4,000 mg/kg; LD50 (dermal, rabbit): >2,000 mg/kg
Skin and Eye Contact: Causes irritation and redness
Inhalation: Drowsiness, headache, irritation to respiratory tract
Ingestion: May cause nausea, vomiting, central nervous system depression
Chronic Effects: No definite carcinogenicity or mutagenicity reports. Aromatic hydrocarbons can sensitize or cause organ toxicity in chronic exposure
Sensitization: Not classified as a sensitizer
Other Data: No reproductive or developmental toxicity reported in standard studies
Ecotoxicity: Harmful to aquatic life, with long-lasting effects; may bioaccumulate in organisms
Persistence and Degradability: Not rapidly biodegradable. Resistant to breakdown in soil or water
Bioaccumulative Potential: High logKow points to potential for bioaccumulation in aquatic environments
Mobility in Soil: Low mobility expected; binds to organic matter
Other Adverse Effects: Avoid discharge to surface waters, sewers, or soil to prevent possible environmental contamination. May contribute to smog formation if released openly.
Waste Treatment Methods: Dispose of in accordance with federal, state, and local regulations for organic solvents. Incineration under controlled conditions preferred route
Packaging Disposal: Empty containers may retain product residues and vapors. Do not cut, weld, or reuse containers; triple-rinse and send for certified drum reconditioning or approved landfill
Special Precautions: Never pour product or rinsate to drains, soil, or open water. Involve licensed chemical disposal company for large-scale amounts
UN Number: 1993
UN Proper Shipping Name: Flammable liquids, n.o.s. (Isobutylbenzene)
Transport Hazard Class: 3 (Flammable liquid)
Packing Group: III
Environmental Hazards: Dangerous to environment if spilled; Marine pollutant
Special Transport Precautions: Use suitable, approved containers; keep below the flash point; ensure appropriate placards and shipping paperwork for area of transport
Transport Symbols: Flammable, marine pollutant
OSHA Status: Considered hazardous under U.S. OSHA criteria
TSCA Inventory: Listed
SARA Title III Section 313: Not listed
California Proposition 65: Not identified as a substance known to cause cancer or reproductive harm
REACH Status (EU): Registered; meets requirements for chemical risk assessment
Other Regulatory Status: Not classified as a controlled chemical, though subject to environmental and safety regulations. Consult local, state, and national agency guidance for detailed requirements on handling, storage, and disposal.
