Material Safety Data Sheet: Isophorone

Identification

Product Name: Isophorone
Chemical Name: 3,5,5-Trimethyl-2-cyclohexen-1-one
Synonyms: Isoacetophorone, Isoacetone, 3,5,5-Trimethyl-2-cyclohexenone
CAS Number: 78-59-1
Relevant Uses: Solvent in coatings, inks, adhesives, and chemical intermediate
Supplier: Information available upon request; typically sourced from chemical supply or industrial manufacturers
Contact Information: Emergency phone numbers and manufacturer address required on site
Emergency Overview: Volatile liquid with camphor-like odor, risk of fire and health hazards on inhalation or direct contact

Hazard Identification

Hazard Classes: Flammable liquid, Acute toxicity (inhalation and oral), Skin and eye irritation, Possible reproductive toxicity
GHS Label Elements: Flame, exclamation mark, health hazard
Signal Word: Danger
Hazard Statements: Causes eye and skin irritation, causes drowsiness or dizziness, flammable liquid and vapor, suspected of damaging fertility or the unborn child, harmful if inhaled or swallowed
Precautionary Statements: Keep away from heat and ignition sources, avoid breathing vapors, wear protective gloves/eye protection, seek medical attention if symptoms appear, use only outdoors or in well-ventilated areas
Potential Health Effects: Inhalation leads to dizziness, nausea, headache, possible respiratory irritation; skin contact brings risk of dermatitis; eyes may water, burn, or redden; ingestion provokes upset stomach, vomiting, or worse

Composition / Information on Ingredients

Chemical Name: Isophorone
CAS Number: 78-59-1
Molecular Formula: C9H14O
Concentration: 99% or greater by weight in technical grade samples
Impurities: Small amounts of related ketones possible, but pure form expected in laboratory and industrial settings
Other Components: No non-hazardous components present at regulated thresholds
Typical Purity: Technical and reagent stocks reflect a minimum purity of 98–99.9%

First Aid Measures

Eye Contact: Rinse thoroughly with clean water for several minutes, lift eyelids to ensure proper removal, seek medical advice immediately if discomfort continues
Skin Contact: Remove contaminated clothing, flush the area with running water and soap, monitor for any delayed skin reactions, call for medical advice if redness or swelling appears
Inhalation: Move person to fresh air at once, keep victim calm and warm, monitor breathing and pulse, deliver artificial respiration if required, call emergency medical services for further treatment
Ingestion: Do not induce vomiting, rinse mouth with water, never give fluids to those unconscious or convulsing, get urgent medical attention
Important Symptoms: Redness, burning sensation, drowsiness, nausea, confusion, severe irritation to skin or eyes, respiratory trouble on prolonged exposure

Fire-Fighting Measures

Suitable Extinguishing Media: Use foam, dry chemical, CO2, or water fog; do not use direct water stream on burning liquid
Fire Hazards: Vapors form explosive mixtures with air, can travel along surfaces and flash back, containers risk bursting on heating
Protective Equipment for Firefighters: Full turnout gear and self-contained breathing apparatus required
Special Procedures: Cool containers with water spray, remove containers from fire zone if safe, eliminate ignition sources in surrounding areas
Combustion Products: Emits carbon monoxide, carbon dioxide, dense smoke, some irritating vapors if burned incompletely
Additional Remarks: Chemical runoff can enter water supplies, so retain fire-extinguishing water using dikes

Accidental Release Measures

Personal Precautions: Evacuate area, secure adequate ventilation, stop leak if safe to do so, keep unauthorized personnel away
Protective Equipment: Wear chemical-resistant gloves, safety goggles, chemical protective clothing, respirator if needed
Environmental Precautions: Prevent contamination of sewers, soil, waterways; inform authorities if large spill escapes containment
Containment and Clean-up: Absorb spill with sand, earth, or inert material, collect in containers for proper disposal, clean area with detergent and water, avoid splashing or creating aerosols
Safe Handling Post-Spill: Wash exposed skin after clean-up, ventilate confined spaces thoroughly, check for ignition sources before re-entry

Handling and Storage

Handling: Use in well-ventilated areas, ground equipment to prevent static discharge, avoid direct contact with eyes or skin, prevent vapor buildup
Storage Conditions: Keep in tightly closed containers, store in cool, dry, well-ventilated place away from incompatible materials such as acids, strong oxidizers, alkalis; avoid sun exposure and heat
Incompatible Materials: Avoid contact with nitrates, strong acids, strong bases, peroxides, and other reactive chemicals
Transfer Procedures: Use explosion-proof equipment and non-sparking tools
Hygiene Practices: Wash hands and face after use, do not eat or drink near chemical, keep protective workwear separate from street clothes

Exposure Controls and Personal Protection

Occupational Exposure Limits: ACGIH TLV: 25 ppm (140 mg/m³) TWA; OSHA PEL: 25 ppm TWA
Engineering Controls: Use local exhaust ventilation or fume hoods, provide eyewash stations and emergency showers close to workstations
Personal Protective Equipment: Chemical splash goggles, gloves (nitrile or neoprene), flame-resistant lab coats, approved respirators for high vapor concentrations
Environmental Controls: Prevent discharge of vapor or liquid to natural waters, use closed systems where practical
Monitoring: Regular workplace air sampling in high-use areas recommended

Physical and Chemical Properties

Appearance: Clear to pale yellow oily liquid
Odor: Characteristic peppermint or camphor-like odor
Odor Threshold: 0.1–0.5 ppm
pH: Not applicable (non-aqueous)
Melting Point: -8.1°C
Boiling Point: 215°C
Flash Point: 85°C (closed cup)
Evaporation Rate: Slower than butyl acetate
Flammability: Flammable liquid and vapor
Upper/Lower Flammability Limits: Lower 0.8%, Upper 3.8% (volume in air)
Vapor Pressure: 0.4 mm Hg at 20°C
Vapor Density: 4.6 (air = 1)
Specific Gravity: 0.92 at 20°C
Solubility in Water: 0.12% at 20°C
Partition Coefficient (log Kow): 1.7
Auto-ignition Temperature: 455°C
Decomposition Temperature: >215°C
Molecular Weight: 138.21 g/mol

Stability and Reactivity

Chemical Stability: Stable at room temperature under recommended storage conditions
Hazardous Reactions: Reacts with strong oxidizers, acids, alkalis; formation of explosive peroxides with exposure to air over time
Polymerization: Does not polymerize by itself under normal conditions
Decomposition Products: Carbon monoxide, carbon dioxide, irritant vapors on burning
Conditions to Avoid: Heating near flash point, open flames, sparks, static discharge, direct sunlight, high temperature storage
Incompatible Materials: Nitric acid, peroxides, strong bases and acids—lead to fire or explosion risks

Toxicological Information

Acute Toxicity: Oral LD50 in rats: 1,500–3,400 mg/kg; inhalation LC50 in rats: >12.3 mg/L/4h; dermal LD50 in rabbits: 3,000 mg/kg
Routes of Exposure: Inhalation, skin contact, eye contact, ingestion
Symptoms of Overexposure: Drowsiness, headache, nausea, respiratory depression, irritation to mucous membranes, dermatitis upon repeated contact
Chronic Effects: Prolonged or repeated exposure leads to liver and kidney problems and may cause reproductive toxicity
Carcinogenicity: Not classed as a known or probable human carcinogen by IARC, NTP, or OSHA
Mutagenic and Reproductive Effects: Some animal studies suggest possible reproductive harm at high doses
Other Health Hazards: No evidence of sensitization, but allergies to similar solvents often develop with frequent exposure

Ecological Information

Aquatic Toxicity: Moderately toxic to aquatic life (LC50, fish: 75 mg/L/96h)
Persistence and Degradability: Readily biodegradable under aerobic conditions, partial persistence in low-oxygen environments
Bioaccumulative Potential: Low potential; log Kow indicates possible bioaccumulation in organisms but eliminated over time
Mobility in Soil: Low to moderate mobility, leaches slightly but decomposes in well-ventilated soils
Ecotoxicity to Non-Aquatic Species: Minimal, but large quantities could disrupt soil microorganisms
Behavior in Environmental Compartments: Volatilizes easily from water and soil surfaces

Disposal Considerations

Disposal Methods: Incinerate under controlled conditions at licensed facility, recycle solvent when feasible, avoid landfill and discharge to sewer
Contaminated Packaging: Empty containers retain vapor, handle as hazardous waste following local restrictions and guidelines
Precautions for Disposal: Consult with regional, national, or local waste management authorities for recommendations, clearly label all contents and hazards
Special Recommendations: Triple rinse drums before recycling or disposal, ensure no release to groundwater, check with disposal facility for special handling needs

Transport Information

UN Number: UN 1915
UN Proper Shipping Name: Isophorone
Transport Hazard Class: 3 (Flammable liquids)
Packing Group: III
Labels Required: Flammable liquid (red diamond with flame symbol)
Marine Pollutant: Not classified as a marine pollutant
Transport Precautions: Secure upright in suitable containers, avoid shipping with incompatible materials, provide ventilation, secure all closures tightly
Vehicle Requirements: Use containers complying with national and international requirements, ensure documentation matches contents

Regulatory Information

OSHA: Hazardous chemical, covered under Hazard Communication Standard (29 CFR 1910.1200)
TSCA: Listed on Toxic Substances Control Act Inventory
REACH: Registered substance under European regulation, safety data sheets available for European use
SARA Title III (Sections 302/313): Not listed as extremely hazardous but subject to reporting for certain uses
California Prop 65: Not listed as carcinogen or reproductive toxicant
Labelling Requirements: GHS symbols for flammability, health hazard, exclamation mark; full safety and emergency information on all workplace containers
Other Listings: Consult country-specific inventories and standards (WHMIS, AICS, DSL/NDSL, PICCS; GHS-compliant in most regulated jurisdictions)