Isophorone

1Identification

Name

Isophorone

IUPAC name

3,5,5-trimethylcyclohex-2-en-1-one

CAS number

78-59-1

EC number

201-126-0

Molecular formula

C9H14O

Molecular weight

138.21 g/mol

InChIKey

HJOVHMDZYOCNQW-UHFFFAOYSA-N

SMILES

CC1=CC(=O)CC(C1)(C)C

PubChem CID

6544

Synonyms

Isoacetophorone, 3,5,5-Trimethylcyclohex-2-en-1-one, 3,5,5-Trimethyl-2-cyclohexen-1-one, Isoforone, Isoforon, Isooctopherone, Izoforon, alpha-Isophorone, Isophoron, 2-Cyclohexen-1-one, 3,5,5-trimethyl-, 1,1,3-Trimethyl-3-cyclohexene-5-one, 3,5,5-Trimethyl-2-cyclohexenone, 3,5,5-Trimethyl-2-cyclohexen-1-on, 3,5,5-Trimetil-2-cicloesen-1-one

Recommended uses

• Isophorone is used mainly as a solvent for concentrated vinyl chloride/acetate-based coating systems for metal cans, other metal paints, nitrocellulose finishes, and printing inks for plastics. Isophorone is an intermediate in the synthesis of 3,5-xylenol, 3,3,5-trimethylcyclohexanol, and plant growth retardants.
  EPA Hazardous Air Pollutants
• Used as a solvent for coatings, especially vinyl resins applied by roller; also used as a chemical intermediate and a solvent for other materials; [ACGIH]
  Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
• Painting (Solvents) [Category: Paint]
  Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
• Other Solvent Adhesion/cohesion promoter Intermediate Stabilizing agent Not Known or Reasonably Ascertainable
  EPA Chemical Data Reporting (CDR)
• Not Known or Reasonably Ascertainable Solvent
  EPA Chemical Data Reporting (CDR)

Use categories: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes · Flavoring Agents -> JECFA Flavorings Index

Description

• Isophorone is a clear liquid that smells like peppermint. It can be dissolved in water and evaporates somewhat faster than water. It is an industrial chemical used as a solvent in some printing inks, paints, lacquers, and adhesives. It is also used as an intermediate in the production of certain chemicals. Although isophorone is an industrial chemical, it also occurs naturally in cranberries.
  Agency for Toxic Substances and Disease Registry (ATSDR)
• Isophorone appears as a clear colorless liquid, with a camphor-like odor. Less dense than water and insoluble in water. Boiling point 420 °F. Flash point near 200 °F. Contact irritates skin and eyes. Toxic by ingestion. Used as a solvent and in pesticides.
  CAMEO Chemicals
• Isophorone is a cyclic ketone, the structure of which is that of cyclohex-2-en-1-one substituted by methyl groups at positions 3, 5 and 5. It has a role as a solvent and a plant metabolite. It is a cyclic ketone and an enone.
  ChEBI

2Hazard identification

Signal word

Warning

Pictograms

GHS07, GHS08

Classification source

Regulation (EC) No 1272/2008 of the European Parliament and of the Council

Precautionary statements

Other reported classifications

5 classification records exist across sources. Differences usually reflect purity, physical form or impurities.

NFPA 704 rating

• 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.
  Hazardous Substances Data Bank (HSDB)
• 2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.
  Hazardous Substances Data Bank (HSDB)
• 0 - Materials that in themselves are normally stable, even under fire conditions.
  Hazardous Substances Data Bank (HSDB)

Health hazards

• LIQUID: Irritating to skin and eyes. Harmful if swallowed. (USCG, 1999)
  CAMEO Chemicals

Fire hazards

• Combustible. (USCG, 1999)
  CAMEO Chemicals
• Combustible. Above 84 °C explosive vapour/air mixtures may be formed.
  ILO-WHO International Chemical Safety Cards (ICSCs)

Hazards summary

• Isophorone is a clear liquid that smells like peppermint. It can be dissolved in water and evaporates somewhat faster than water. It is an industrial chemical used as a solvent in some printing inks, paints, lacquers, and adhesives. It is also used as an intermediate in the production of certain chemicals. Although isophorone is an industrial chemical, it also occurs naturally in cranberries.
  Agency for Toxic Substances and Disease Registry (ATSDR)
• Isophorone is a widely used solvent and chemical intermediate. The acute (short-term) effects of isophorone in humans from inhalation exposure include eye, nose, and throat irritation. Chronic (long- term) exposure to isophorone in humans can cause dizziness, fatigue, and depression. Animal studies indicate that long-term inhalation of high concentrations of isophorone causes central nervous system effects. Limited evidence in animal studies suggests that isophorone may cause birth defects such as fetal malformations and growth retardation from inhalation exposure to isophorone during pregnancy.
  EPA Hazardous Air Pollutants

3Composition / information on ingredients

This page describes the pure substance. Commercial products may be solutions or mixtures. Check Section 3 of your supplier's SDS for concentrations and other ingredients.

4First-aid measures

• EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water.
  CAMEO Chemicals
• (General first aid procedures) Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately. Skin: Soap wash promptly - If this chemical contacts the skin, promptly wash the contaminated skin with soap and water. If this chemical penetrates the clothing, promptly remove the clothing and wash the skin with soap and water. Get medical attention promptly. Breathing: Respiratory support Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately.
  The National Institute for Occupational Safety and Health (NIOSH)

Symptoms of exposure

• Burning sensation. Sore throat. Cough. Dizziness. Headache. Nausea. Shortness of breath.
  ILO-WHO International Chemical Safety Cards (ICSCs)
• Redness. Pain. Blurred vision.
  ILO-WHO International Chemical Safety Cards (ICSCs)
• Abdominal pain. Further see Inhalation.
  ILO-WHO International Chemical Safety Cards (ICSCs)

5Fire-fighting measures

• Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, dry chemical or carbon dioxide.
  Hazardous Substances Data Bank (HSDB)
• If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, dry chemical or carbon dioxide.
  Hazardous Substances Data Bank (HSDB)
• Use water spray to keep fire exposed containers cool. Use flooding quantities of water as fog or spray, dry chemical, foam, or carbon dioxide.
  Hazardous Substances Data Bank (HSDB)

6Accidental release measures

Isolation and evacuation

• Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
  CAMEO Chemicals

Spill cleanup

• Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
  ILO-WHO International Chemical Safety Cards (ICSCs)
• If leak or spill has not ignited, use water spray to disperse vapors & to protect men attempting to stop leak.
  Hazardous Substances Data Bank (HSDB)
• Environmental considerations: Land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surfact flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or comercial sorbents.
  Hazardous Substances Data Bank (HSDB)
• Environmental considerations: Water spill: Use natural barriers or oil spill control booms to limit spill travel. Remove trapped material with suction hoses.
  Hazardous Substances Data Bank (HSDB)

7Handling and storage

• Separated from strong oxidants, strong bases and amines.
  ILO-WHO International Chemical Safety Cards (ICSCs)
• store in a cool, dry, well-ventilated location. Outside or detached storage is preferred. Separate from oxidizing materials.
  Hazardous Substances Data Bank (HSDB)

8Exposure controls / personal protection

Personal protective equipment

• Excerpt from NIOSH Pocket Guide for Isophorone: Skin: PREVENT SKIN CONTACT - Wear appropriate personal protective clothing to prevent skin contact. Eyes: PREVENT EYE CONTACT - Wear appropriate eye protection to prevent eye contact. Wash skin: WHEN CONTAMINATED - The worker should immediately wash the skin when it becomes contaminated. Remove: WHEN WET OR CONTAMINATED - Work clothing that becomes wet or significantly contaminated should be removed and replaced. Change: No recommendation is made specifying the need for the worker to change clothing after the workshift.
  CAMEO Chemicals
• ... Wear appropriate chemical protective gloves, boots and goggles.
  Hazardous Substances Data Bank (HSDB)
• Wear appropriate personal protective clothing to prevent skin contact.
  Hazardous Substances Data Bank (HSDB)
• Wear appropriate eye protection to prevent eye contact.
  Hazardous Substances Data Bank (HSDB)

Respirator recommendations

• NIOSH Up to 40 ppm: (APF = 10) Any chemical cartridge respirator with organic vapor cartridge(s)* (APF = 10) Any supplied-air respirator* Up to 100 ppm: (APF = 25) Any supplied-air respirator operated in a continuous-flow mode* (APF = 25) Any powered, air-purifying respirator with organic vapor cartridge(s)* Up to 200 ppm: (APF = 50) Any chemical cartridge respirator with a full facepiece and organic vapor cartridge(s) (APF = 50) Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister (APF = 50) Any powered, air-purifying respirator with a tight-fitting facepiece and organic vapor cartridge(s)* (APF = 50) Any supplied-air respi…
  The National Institute for Occupational Safety and Health (NIOSH)

9Physical and chemical properties

10Stability and reactivity

Reactivity

• Ketones, such as ISOPHORONE, are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4. Forms explosive peroxides
  CAMEO Chemicals
• Insoluble in water.
  CAMEO Chemicals

Incompatible materials and hazardous reactions

• Incompatible with strong oxidizers
  Hazardous Substances Data Bank (HSDB)
• Oxidizers, strong alkalis, amines.
  Hazardous Substances Data Bank (HSDB)
• Oxidizers, strong alkalis, amines
  The National Institute for Occupational Safety and Health (NIOSH)

11Toxicological information

Target organs

• Dermal (Skin), Hepatic (Liver), Neurological (Nervous System), Ocular (Eyes), Respiratory (From the Nose to the Lungs)
  Agency for Toxic Substances and Disease Registry (ATSDR)
• Urinary
  EPA Integrated Risk Information System (IRIS)

Short-term exposure effects

• The substance and the vapour are irritating to the eyes and respiratory tract. The substance may cause effects on the central nervous system.
  ILO-WHO International Chemical Safety Cards (ICSCs)

12Ecological information

Not available in the public sources we compile. Check Section 12 of the supplier's SDS.

13Disposal considerations

• SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
  Hazardous Substances Data Bank (HSDB)
• The following wastewater treatment technologies have been investigated for Isophorone. Concentration process: Biological treatment.
  Hazardous Substances Data Bank (HSDB)
• The following wastewater treatment technologies have been investigated for Isophorone. Concentration process: Solvent extraction.
  Hazardous Substances Data Bank (HSDB)

14Transport information

DOT label

• Combustible Liquid
  CAMEO Chemicals

Emergency Response Guidebook

• 1993 128(combustible liquid, n.o.s.)
  The National Institute for Occupational Safety and Health (NIOSH)

Not available in the public sources we compile. Check Section 14 of the supplier's SDS.

How DOT hazard classes work →

15Regulatory information

• This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Isophorone is produced, as an intermediate or a final product, by process units covered under this subpart.
  Hazardous Substances Data Bank (HSDB)
• Isophorone is exempted from the requirement of a tolerance when used as a solvent or cosolvent in accordance with good agricultural practice as inert (or occasionally active) ingredents in pesticide formulations applied to growing crops only.
  Hazardous Substances Data Bank (HSDB)
• Toxic pollutant designated pursuant to section 307(a)(1) of the Federal Water Pollution Control Act and is subject to effluent limitations.
  Hazardous Substances Data Bank (HSDB)
• Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 5000 lb or 2270 kg. The toll free number of the NRC is (800) 424-8802; In the Washington D.C. metropolitan area (202) 426-2675. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).
  Hazardous Substances Data Bank (HSDB)
• Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Isophorone is included on this list.
  Hazardous Substances Data Bank (HSDB)
• Isophorone is listed as an indirect food additive for use only as a component of adhesives.
  Hazardous Substances Data Bank (HSDB)

Overview of SDS regulations (OSHA HazCom, WHMIS, REACH/CLP) →

16Other information

Compiled from PubChem CID 6544 and the sources it aggregates (attributed inline). Data retrieved 2026-10-12. This summary describes the pure substance and is not a supplier SDS.