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Product Name: 4-Isobutylacetophenone
Synonyms: para-Isobutylacetophenone; p-Isobutylacetophenone
CAS Number: 5739-49-5
Molecular Formula: C12H16O
Molecular Weight: 176.26 g/mol
Recommended Use: Industrial and laboratory applications
Supplier Contact: Provided upon request; emergency phone number available through CHEMTREC
Physical Description: Yellowish to pale liquid, distinctive aromatic odor
Classification: Flammable liquid, irritant to eyes, skin, and respiratory system
GHS Label Elements: Signal word: Warning; Flammable pictogram; Exclamation mark
Hazard Statements: May cause skin and eye irritation; vapor can irritate respiratory passages;
Precautionary Statements: Avoid inhalation, avoid contact with skin and eyes, use in well-ventilated area, keep away from open flames and hot surfaces
Route of Exposure: Inhalation, skin contact, ingestion, eye contact
Additional Hazards: Can form explosive mixtures with air; toxic fumes if combusted
Chemical Name: 4-Isobutylacetophenone
CAS Number: 5739-49-5
Concentration: >98% by weight
Impurities: Minor byproducts from synthesis (≤2%)
Additives: None reported
Inhalation: Move to fresh air; support breathing if symptoms persist, seek medical help
Skin Contact: Remove contaminated clothing, wash with plenty of soap and water for 15 minutes, call physician for persistent irritation
Eye Contact: Rinse immediately with plenty of water, lifting upper and lower eyelids, for at least 15 minutes; seek medical attention
Ingestion: Rinse mouth with water, do not induce vomiting, get immediate medical attention
Most Important Symptoms/Effects: Redness, irritation, headache, dizziness, difficulty breathing
Immediate Medical Attention Needed: Persistent symptoms or large exposure
Suitable Extinguishing Media: Foam, dry powder, carbon dioxide, water spray
Unsuitable Extinguishing Media: Direct water jet
Specific Hazards: Emits toxic fumes like CO and CO2 under fire; vapors may form explosive mixtures with air
Special Protective Equipment: Full protective clothing, self-contained breathing apparatus
Fire-fighting Instructions: Evacuate area; cool containers with water, contain runoff
Personal Precautions: Wear gloves, goggles, respirator; avoid breathing vapor; evacuate area unless trained
Environmental Precautions: Prevent further leakage or spillage; do not let product enter drains, waterways, or soil
Containment Methods: Stop leak if safe, dike spill with inert absorbent (sand, earth); transfer waste into closed containers
Cleanup Methods: Collect residue, ventilate area, dispose of waste according to Section 13
Handling: Use local exhaust ventilation; keep container tightly closed; avoid contact with skin, eyes, and clothing; avoid inhalation
Storage: Store in cool, dry, well-ventilated area away from heat and ignition sources; keep container tightly sealed when not in use
Incompatible Materials: Strong oxidizers, acids, bases
Conditions to Avoid: Direct sunlight, moisture, open flame, static discharge
Exposure Limits: No occupational exposure limits established for this compound
Engineering Controls: Use chemical fume hood, eye wash station, safety shower
Personal Protective Equipment: Chemical-resistant gloves (nitrile), safety goggles or face shield, lab apron or coat, organic vapor respirator if airborne concentrations exceed limits
Hygiene Measures: Wash hands thoroughly after handling, remove contaminated clothing immediately
Appearance: Yellowish clear liquid
Odor: Aromatic, mild
Odor Threshold: Not established
pH: Not applicable
Melting Point: -7°C
Boiling Point: 278°C
Flash Point: 108°C (closed cup)
Evaporation Rate: Not available
Flammability: Combustible
Vapor Pressure: 0.02 mmHg at 25°C
Vapor Density: Greater than 1 (air = 1)
Solubility: Insoluble in water, soluble in alcohols and ethers
Density: 1.002 g/cm³ at 25°C
Partition Coefficient (log Kow): Estimated 4.1
Decomposition Temperature: Not established
Viscosity: Not established
Chemical Stability: Stable under recommended storage conditions
Reactivity: Low under normal circumstances
Hazardous Reactions: Reacts with oxidizers; exothermic reactions possible
Conditions to Avoid: Heat, open flame, direct sunlight, contact with incompatible materials
Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, other toxic vapors
Acute Toxicity: Low acute oral and dermal toxicity; no reliable LD50 data in public sources, estimated LD50 (oral, rat) > 2000 mg/kg
Skin Corrosion/Irritation: Causes transient irritation
Serious Eye Damage/Irritation: Moderate irritation
Respiratory Sensitization: Prolonged exposure may cause cough, headache
Skin Sensitization: Not expected based on structure, but possible with repeated exposure
Germ Cell Mutagenicity: No data available
Carcinogenicity: Not listed by IARC, NTP, OSHA as carcinogen
Reproductive Toxicity: No data available
Specific Target Organ Toxicity - Single Exposure: May cause drowsiness or dizziness if inhaled
Specific Target Organ Toxicity - Repeated Exposure: No reliable data available
Aspiration Hazard: Not classified, but avoid inhaling mists or vapors
Potential Health Effects: Eye, skin, and respiratory irritation, nausea, dizziness
Ecotoxicity: Harmful to aquatic life based on analogues; not expected to bioaccumulate in significant amounts
Persistence and Degradability: Partially biodegradable, breakdown in soil and water possible over weeks
Bioaccumulation Potential: Moderate potential based on log Kow
Mobility in Soil: Low to moderate
Other Adverse Effects: No data on ozone depletion, endocrine disruption; limit release to environment
Disposal Methods: Burn in a chemical incinerator equipped with afterburner and scrubber in accordance with national/state/local regulations
Unclean Packaging: Dispose of as unused material if not decontaminated
Special Precautions: Avoid dispersal into soil, sewers, waterways; prevent formation of aerosols or dusts
UN Number: Not assigned for small quantities; for bulk, consult regulatory agencies
UN Proper Shipping Name: Not regulated as dangerous good by US DOT, IATA, IMDG in small packages
Transport Hazard Class: Not formally classified
Packing Group: III (if regulated as a flammable liquid)
Environmental Hazards: Not marine pollutant
Special Transport Precautions: Secure upright in original packaging, spill containment advised
OSHA Status: Not specifically regulated
TSCA Inventory: Listed
SARA Title III Components: Not subject to reporting
California Proposition 65: Not listed
WHMIS Classification (Canada): Not classified as hazardous
REACH Registration (EU): Not listed; annual tonnage under regulatory threshold
Other International Regulations: Substance not controlled under major international conventions; subject to local environmental and occupational health laws
