
Isobutyl ketone
Diisobutyl ketone appears as a clear colorless liquid. Flash point 140 °F. Less dense than water and insoluble in water. Vapors heavier than air. — CAMEO Chemicals
- IUPAC name
- 2,6-dimethylheptan-4-one
- Molecular formula
- C9H18O
- Molecular weight
- 142.24 g/mol
- Exact mass
- 142.135765193 Da
- XLogP3
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 1
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:89195
- ChEMBL:CHEMBL3182186
- EPA DTXSID:DTXSID4025080
- PubMed:22704373
- PubMed:22684032
- PubMed:22416247
- PubMed:22284872
- PubMed:22163564
- PubMed:20391597
- PubMed:19557523
- PubMed:19110096
- PubMed:19064106
- PubMed:18990430
- PubMed:18789368
- PubMed:18445326
Evidence from additional scientific databases
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Autoignition Temperature: 745 °F (USCG, 1999) Source: CAMEO Chemicals
- Autoignition Temperature: 745 °F (396 °C) Source: Hazardous Substances Data Bank (HSDB)
- Autoignition Temperature: 396 °C Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Boiling Point: 331 °F at 760 mmHg (NTP, 1992) Source: CAMEO Chemicals
- Boiling Point: 169.4 °C Source: Hazardous Substances Data Bank (HSDB)
- Boiling Point: 169.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 168 °C Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Boiling Point: 169 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Boiling Point: 334 °F Source: Occupational Safety and Health Administration (OSHA)
- Boiling Point: 166 °C @760 [mm Hg] Source: PAC Chemical Database, U.S. Department of Energy
- Boiling Point: 334 °F Source: The National Institute for Occupational Safety and Health (NIOSH)
- Color/Form: WATER CLEAR LIQUID Source: Hazardous Substances Data Bank (HSDB)
- Color/Form: Colorless oil Source: Hazardous Substances Data Bank (HSDB)
- Color/Form: Colorless liquid Source: Hazardous Substances Data Bank (HSDB)
- Density: 0.806 at 68 °F (USCG, 1999) - Less dense than water; will float Source: CAMEO Chemicals
- Density: 0.8062 at 20 °C/4 °C Source: Hazardous Substances Data Bank (HSDB)
- Density: Bulk density: 6.7 lb/gal at 20 °C; coefficient of expansion: 0.00101 at 20 °C Source: Hazardous Substances Data Bank (HSDB)
- Density: Saturated vapor density= 0.00088 lb/cu ft @ 70 °F Source: Hazardous Substances Data Bank (HSDB)
- Density: Relative density (water = 1): 0.805 Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Density: 0.808 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.81 Source: Occupational Safety and Health Administration (OSHA)
- Density: 0.81 @25 °C Source: PAC Chemical Database, U.S. Department of Energy
- Density: 0.81 Source: The National Institute for Occupational Safety and Health (NIOSH)
- Flash Point: 140 °F (NTP, 1992) Source: CAMEO Chemicals
- Flash Point: 49 °C Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Flash Point: 120 °F (49 °C) (Closed cup) Source: Hazardous Substances Data Bank (HSDB)
- Flash Point: 49 °C c.c. Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Flash Point: 140 °F Source: Occupational Safety and Health Administration (OSHA)
- Flash Point: 120 °F Source: The National Institute for Occupational Safety and Health (NIOSH)
- LogP: 2.560 Source: Human Metabolome Database (HMDB)
- Melting Point: -51.5 °F (NTP, 1992) Source: CAMEO Chemicals
- Melting Point: -41.5 °C Source: Hazardous Substances Data Bank (HSDB)
- Melting Point: -41.5 °C Source: Human Metabolome Database (HMDB)
- Melting Point: -42 °C Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Melting Point: -51.5 °F Source: Occupational Safety and Health Administration (OSHA)
- Melting Point: -43 °F Source: The National Institute for Occupational Safety and Health (NIOSH)
- Odor: Peppermint odor Source: Hazardous Substances Data Bank (HSDB)
- Odor: Mild, sweet odor Source: Hazardous Substances Data Bank (HSDB)
- Physical Description: Diisobutyl ketone appears as a clear colorless liquid. Flash point 140 °F. Less dense than water and insoluble in water. Vapors heavier than air. Source: CAMEO Chemicals
- Physical Description: CBI; Liquid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Colorless liquid with a mild, sweet odor; [NIOSH] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Physical Description: COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Physical Description: colourless, oily liquid with a fruity and sweet or menthol-like odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: Colorless liquid with a mild, sweet odor. Source: Occupational Safety and Health Administration (OSHA)
- Physical Description: Colorless liquid with a mild, sweet odor. Source: The National Institute for Occupational Safety and Health (NIOSH)
- Refractive Index: Index of refraction: 1412 at 21 °C Source: Hazardous Substances Data Bank (HSDB)
- Refractive Index: 1.410-1.416 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Slightly soluble (NTP, 1992) Source: CAMEO Chemicals
- Solubility: Miscible with ethanol, ether; soluble in carbon tetrachloride Source: Hazardous Substances Data Bank (HSDB)
- Solubility: SOL IN CHLOROFORM Source: Hazardous Substances Data Bank (HSDB)
- Solubility: Miscible with benzene Source: Hazardous Substances Data Bank (HSDB)
- Solubility: Miscibile with most organic liquids Source: Hazardous Substances Data Bank (HSDB)
- Solubility: For more Solubility (Complete) data for DIISOBUTYL KETONE (6 total), please visit the HSDB record page. Source: Hazardous Substances Data Bank (HSDB)
- Solubility: 2.64 mg/mL at 24 °C Source: Human Metabolome Database (HMDB)
- Solubility: Solubility in water: none Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Solubility: insoluble in water; soluble in alcohol and oils Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 0.05% Source: The National Institute for Occupational Safety and Health (NIOSH)
- Vapor Pressure: 2.4 mmHg (NTP, 1992) Source: CAMEO Chemicals
- Vapor Pressure: 1.65 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Vapor Pressure: 1.65 mm Hg at 25 °C Source: Hazardous Substances Data Bank (HSDB)
- Vapor Pressure: Vapor pressure, kPa at 20 °C: 0.23 Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Vapor Pressure: 2 mmHg Source: Occupational Safety and Health Administration (OSHA)
- Vapor Pressure: 2 mmHg Source: The National Institute for Occupational Safety and Health (NIOSH)
- Viscosity: 0.896 Cp at 70 °F Source: Hazardous Substances Data Bank (HSDB)
- Carcinogen Classification: No indication of carcinogenicity to humans (not listed by IARC). Source: Toxin and Toxin Target Database (T3DB)
- Exposure Routes: The substance can be absorbed into the body by inhalation of its vapour and by ingestion. Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Exposure Routes: inhalation, ingestion, skin and/or eye contact Source: The National Institute for Occupational Safety and Health (NIOSH)
- First Aid: 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. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.; INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) shou Source: CAMEO Chemicals
- ERG2024, Guide 128 (Diisobutyl ketone): General First Aid:; · Call 911 or emergency medical service.; · Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.; · Move victim to fresh air if it can be done safely.; · Administer oxygen if breathing is difficult.; · If victim is not breathing:; -- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance.; -- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).; -- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.; · Remove and isolate contaminated clothing and shoes.; · For minor skin contact, avoid spreading material on unaffected skin.; · In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.; · For severe burns, immediate medical attention is required.; · Effects of exposure (inhalation, ingestion, Source: Emergency Response Guidebook (ERG)
- First Aid: (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. Source: The National Institute for Occupational Safety and Health (NIOSH)
- Signal: Warning Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- GHS Hazard Statements: H226: Flammable liquid and vapor [Warning Flammable liquids]; H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Note: This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1317) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]; H335 (99.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 1317 reports by companies from 38 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 1 of 1317 reports by companies.; There are 37 notifications provided by 1316 of 1317 reports by companies with hazard statement code(s).; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- Signal: Danger Source: NITE-CMC
- GHS Hazard Statements: H226: Flammable liquid and vapor [Warning Flammable liquids]; H320: Causes eye irritation [Warning Serious eye damage/eye irritation]; H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]; H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure]; H402: Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard]; H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: NITE-CMC
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P303+P361+P353, P304+P340, P305+P351+P338, P308+P316, P319, P321, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
- Signal: Warning Source: NITE-CMC
- NFPA Health Rating: 1 - Materials that, under emergency conditions, can cause significant irritation. Source: Hazardous Substances Data Bank (HSDB)
- NFPA Fire Rating: 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. Source: Hazardous Substances Data Bank (HSDB)
- NFPA Instability Rating: 0 - Materials that in themselves are normally stable, even under fire conditions. Source: Hazardous Substances Data Bank (HSDB)
- Target Organs: Eyes, skin, respiratory system, central nervous system, liver, kidneys Source: The National Institute for Occupational Safety and Health (NIOSH)
- Toxicity Summary: The consumer exposure is considered to be low as only very few of the DIBK-containing products are accessible to the consumer. Mean occupational exposure during formulation and use of DIBK-containing products is estimated to be about 16-39 mg/cu m DIBK is not corrosive or sensitizing. Respiratory irritation was observed in humans at concentrations above 50 ppm. The NOAEL for repeated dose following inhalation exposure is in the region of 534 ppm. For reproductive toxicity, no increased risks to offspring were observed in the absence of parental effects. The NOAEL for parental toxicity was determined as 300 mg/kg bw/d and for reproductive effects 1000 mg/kg bw/d. Bacterial mutagenicity tests are negative, as well as a Saccharomyces cerevisiae mitotic gene conversion assay. DIBK does not induce chromosome aberrations in rat liver cells in vitro. ... Source: Hazardous Substances Data Bank (HSDB)
- Environmental Bioconcentration: An estimated BCF of 7 was calculated in fish for diisobutyl ketone(SRC), using a water solubility of 2,640 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 57(SRC), determined from a water solubility of 2,640 mg/L(2) and a regression-derived equation(3), indicates that diisobutyl ketone is expected to have high mobility in soil(SRC). Volatilization of diisobutyl ketone from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.2X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 1.65 mm Hg(3), and water solubility(2). Diisobutyl ketone is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). Diisobutyl ketone was shown to rapidly biodegrade under aerobic conditions(4-6). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 57(SRC), determined from a water solubility of 2,640 mg/L(2) and a regression-derived equation(3), indicates that diisobutyl ketone is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.2X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 1.65 mm Hg(4), and water solubility(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 12 hours and 7.5 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 7(SRC), from its water solubility(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation in oxygenated waters is expected to be an important environmental fate process for this compound(6-8). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), diisobutyl ketone, which has a vapor pressure of 1.65 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase diisobutyl ketone is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 15 hours(SRC), calculated from its rate constant of 2.6X10-11 cu cm/molecule-sec at 25 °C(3). The photochemical degradation products of diisobutyl ketone with hydroxyl radicals are acetone and 2-methylpropanal(4). Diisobutyl ketone contains chromophores that absorb at wavelengths >290 nm and therefore may be susceptible to direct photolysis by sunlight(5). Source: Hazardous Substances Data Bank (HSDB)
- Consumer Uses: Not Known or Reasonably Ascertainable; Solvent Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Solvent; Not Known or Reasonably Ascertainable; Waterproofing agent; Diluent Source: EPA Chemical Data Reporting (CDR)
- Sources/Uses: Mainly used as coating solvent; [HSDB] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Industrial Processes with risk of exposure: Painting (Solvents) [Category: Paint] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Uses: SOLVENT FOR NITROCELLULOSE, FOR MILLED CREPE RUBBER, VINYLITE, SYNTHETIC COATINGS AND AS A DISPERSANT FOR ORGANOSOL TYPE RESINS; INTERMEDIATE IN SYNTHESIS OF INHIBITORS, PHARMACEUTICALS, DYES, & INSECTICIDES Source: Hazardous Substances Data Bank (HSDB)
- Uses: Solvent for nitrocellulose, rubber, synthetic resins; lacquers; coating compositions; organic synthesis, roll-coating inks; stains. Source: Hazardous Substances Data Bank (HSDB)
- Uses: Mainly used as coating solvent. Catalytic oxidation produces 2,6-dimethyl-4-heptanol (108-82-7). Source: Hazardous Substances Data Bank (HSDB)
- Uses: ... Solvent for paints, dyes and adhesives, and as an extraction agent for the recrystallization of organic compounds. Source: Hazardous Substances Data Bank (HSDB)
- Uses: For more Uses (Complete) data for DIISOBUTYL KETONE (7 total), please visit the HSDB record page. Source: Hazardous Substances Data Bank (HSDB)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.