2-Pentanone
- IUPAC name
- pentan-2-one
- Molecular formula
- C5H10O
- Molecular weight
- 86.13 g/mol
- Exact mass
- 86.073164938 Da
- XLogP3
- 0.9
- 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:16472
- ChEMBL:CHEMBL45345
- EPA DTXSID:DTXSID0021888
- PubMed:23049939
- PubMed:23018855
- PubMed:22929552
- PubMed:22754652
- PubMed:22726261
- PubMed:22713992
- PubMed:22711343
- PubMed:22707936
- PubMed:22668341
- PubMed:22662321
- PubMed:22660158
- PubMed:22655054
Evidence from additional scientific databases
EMBL-EBI ChEBI
pentan-2-one
A pentanone carrying an oxo substituent at position 2.
- Formula
- C5H10O
- Average mass
- 86.134 g/mol
- Monoisotopic mass
- 86.07316 Da
- Formal charge
- 0
- methyl ketone — is a (CHEBI:51867)
- pentanone — is a (CHEBI:25892)
- plant metabolite — has role (CHEBI:76924)
- plant metabolite — has role (CHEBI:76924)
- methyl ketone — is a (CHEBI:51867)
- pentanone — is a (CHEBI:25892)
Additional curated names
Cross-references from this source
- CAS: 107-87-9 — NIST Chemistry WebBook
- CAS: 107-87-9 — KEGG COMPOUND
- CAS: 107-87-9 — ChemIDplus
- REGISTRY_NUMBER: 506058 — Reaxys
- MANUAL_X_REF: C01949 — KEGG COMPOUND
- MANUAL_X_REF: C01949 — KEGG COMPOUND
- MANUAL_X_REF: HMDB0034235 — HMDB
- MANUAL_X_REF: LMFA12000003 — LIPID MAPS
- MANUAL_X_REF: Pentan-2-one — Wikipedia
- MANUAL_X_REF: PENTAN-2-ONE — MetaCyc
- MANUAL_X_REF: PNH — PDBeChem
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2015-10-23. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Autoignition Temperature: 941 °F (USCG, 1999) Source: CAMEO Chemicals
- Autoignition Temperature: 846 °F (452 °C) Source: Hazardous Substances Data Bank (HSDB)
- Autoignition Temperature: 505 °C Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Boiling Point: 212 to 214 °F at 760 mmHg (NTP, 1992) Source: CAMEO Chemicals
- Boiling Point: 102.26 °C Source: Hazardous Substances Data Bank (HSDB)
- Boiling Point: 100.00 to 110.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 102 °C Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Boiling Point: 102 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Boiling Point: 215 °F Source: Occupational Safety and Health Administration (OSHA)
- Boiling Point: 102 °C @760 [mm Hg] Source: PAC Chemical Database, U.S. Department of Energy
- Boiling Point: 215 °F Source: The National Institute for Occupational Safety and Health (NIOSH)
- Color/Form: Colorless liquid Source: Hazardous Substances Data Bank (HSDB)
- Color/Form: Colorless to water-white liquid Source: Hazardous Substances Data Bank (HSDB)
- Density: 0.809 at 68 °F (USCG, 1999) - Less dense than water; will float Source: CAMEO Chemicals
- Density: 0.809 at 20 °C/4 °C Source: Hazardous Substances Data Bank (HSDB)
- Density: Relative density (water = 1): 0.8 Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Density: 0.801-0.806 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.81 Source: Occupational Safety and Health Administration (OSHA)
- Density: 0.801-0.806 @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: 45 °F (NTP, 1992) Source: CAMEO Chemicals
- Flash Point: Flash point equals 7 °C Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Flash Point: 45 °F ( 7.0 °C) (Closed cup) Source: Hazardous Substances Data Bank (HSDB)
- Flash Point: 7 °C c.c. Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Flash Point: 45 °F Source: Occupational Safety and Health Administration (OSHA)
- Flash Point: 45 °F Source: The National Institute for Occupational Safety and Health (NIOSH)
- LogP: log Kow = 0.91 Source: Hazardous Substances Data Bank (HSDB)
- LogP: 0.91 Source: Human Metabolome Database (HMDB)
- LogP: 0.91 Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Melting Point: -108 °F (NTP, 1992) Source: CAMEO Chemicals
- Melting Point: -76.8 °C Source: Hazardous Substances Data Bank (HSDB)
- Melting Point: -76.9 °C Source: Human Metabolome Database (HMDB)
- Melting Point: -78 °C Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Melting Point: -108 °F Source: Occupational Safety and Health Administration (OSHA)
- Melting Point: -108 °F Source: The National Institute for Occupational Safety and Health (NIOSH)
- Odor: Characteristic acetone-like odor Source: Hazardous Substances Data Bank (HSDB)
- Physical Description: Methyl propyl ketone appears as a clear colorless liquid with the odor of fingernail polish. Flash point 45 °F. Less dense than water and soluble in water. Hence floats on water. Density 0.809 g / cm3. Vapors heavier than air. Source: CAMEO Chemicals
- Physical Description: Liquid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Colorless to water-white liquid with a characteristic acetone-like 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 to pale yellow, mobile liquid with an ethereal, fruity odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: Colorless to water-white liquid with a characteristic acetone-like odor. Source: Occupational Safety and Health Administration (OSHA)
- Physical Description: Colorless to water-white liquid with a characteristic acetone-like odor. Source: The National Institute for Occupational Safety and Health (NIOSH)
- Refractive Index: Index of refraction: 1.3895 at 20 °C/D Source: Hazardous Substances Data Bank (HSDB)
- Refractive Index: 1.387-1.392 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 10 to 50 mg/mL at 72 °F (NTP, 1992) Source: CAMEO Chemicals
- Solubility: Slightly soluble in carbon tetrachloride Source: Hazardous Substances Data Bank (HSDB)
- Solubility: Miscible with alcohol and ether Source: Hazardous Substances Data Bank (HSDB)
- Solubility: In water, 4.3X10+4 mg/L at 25 °C Source: Hazardous Substances Data Bank (HSDB)
- Solubility: 43 mg/mL at 25 °C Source: Human Metabolome Database (HMDB)
- Solubility: Solubility in water, g/100ml at 20 °C: 4 (moderate) Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Solubility: miscible with alcohol, ether, propylene glycol, oils; 1 ml in 25 ml water Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 6% Source: The National Institute for Occupational Safety and Health (NIOSH)
- Vapor Pressure: 12 mmHg at 68 °F ; 16 mmHg at 77 °F; 21 mmHg at 86 °F (NTP, 1992) Source: CAMEO Chemicals
- Vapor Pressure: 35.4 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Vapor Pressure: 35.4 mm Hg at 25 °C Source: Hazardous Substances Data Bank (HSDB)
- Vapor Pressure: Vapor pressure, kPa at 20 °C: 1.6 Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Vapor Pressure: 12 mmHg Source: Occupational Safety and Health Administration (OSHA)
- Vapor Pressure: 27 mmHg Source: The National Institute for Occupational Safety and Health (NIOSH)
- Viscosity: 0.473 cp at 25 °C Source: Hazardous Substances Data Bank (HSDB)
- 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 127 (Methyl propyl 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: Water flush - If this chemical contacts the skin, flush the contaminated skin with water. Where there is evidence of skin irritation, get medical attention.; 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)
- Note: This chemical does not meet GHS hazard criteria for 0.3% (6 of 1881) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Danger Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H225 (31.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]; H302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (91.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (74.6%): 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, P264, P264+P265, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P305+P351+P338, P319, P330, P337+P317, 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 1881 reports by companies from 24 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 6 of 1881 reports by companies.; There are 23 notifications provided by 1875 of 1881 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: H225: Highly Flammable liquid and vapor [Danger Flammable liquids]; H319: Causes serious 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] Source: NITE-CMC
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
- GHS Hazard Statements: H225: Highly Flammable liquid and vapor [Danger Flammable liquids]; H302: Harmful if swallowed [Warning Acute toxicity, oral]; H305: May be harmful if swallowed and enters airways [Warning Aspiration hazard]; H316: Causes mild skin irritation [Warning Skin corrosion/irritation]; H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H331: Toxic if inhaled [Danger Acute toxicity, inhalation]; H333: May be harmful if inhaled [Warning Acute toxicity, inhalation]; 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] Source: NITE-CMC
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P303+P361+P353, P304+P317, P304+P340, P305+P351+P338, P316, P319, P321, P330, P331, P332+P317, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
- NFPA Health Rating: 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury. Source: Hazardous Substances Data Bank (HSDB)
- NFPA Fire Rating: 3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions. 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 Source: The National Institute for Occupational Safety and Health (NIOSH)
- Environmental Bioconcentration: An estimated BCF of 3 was calculated in fish for 2-pentanone(SRC), using a log Kow of 0.91(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 75(SRC), determined from a log Kow of 0.91(2) and a regression-derived equation(3), indicates that 2-pentanone is expected to have high mobility in soil(SRC). Volatilization of 2-pentanone from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 8.36X10-5 atm-cu m/mole(4). 2-Pentanone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 35.4 mm Hg(5). 2-Pentanone has been shown to biodegrade under aerobic conditions(6-8). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 75(SRC), determined from a log Kow of 0.91(2) and a regression-derived equation(3), indicates that 2-pentanone is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 8.36X10-5 atm-cu m/mole(4). 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 6.6 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). 2-Pentanone is expected to biodegrade in water based on a screening test designed to simulate a polluted river, where the 5 day theoretical BOD for 2-pentanone was 43%(7). 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), 2-pentanone, which has a vapor pressure of 35.4 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 2-pentanone 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 3.5 days(SRC), calculated from its rate constant of 4.56X10-12 cu cm/molecule-sec at 25 °C(3). 2-Pentanone contains chromophores that absorb at wavelengths >290 nm and therefore may be susceptible to direct photolysis by sunlight(4). Source: Hazardous Substances Data Bank (HSDB)
- Consumer Uses: Not Known or Reasonably Ascertainable Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Solvent; Other; Not Known or Reasonably Ascertainable Source: EPA Chemical Data Reporting (CDR)
- Sources/Uses: Used as a solvent, a flavoring agent, and in organic synthesis; [ACGIH] Used as a solvent for lacquers and surface coatings; [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: SYNTHETIC FLAVOR INGREDIENT Source: Hazardous Substances Data Bank (HSDB)
- Uses: Solvent, substitute for diethyl ketone, flavoring. Source: Hazardous Substances Data Bank (HSDB)
- Uses: Solvent Source: Hazardous Substances Data Bank (HSDB)
- Uses: INT FOR COSMETICS & PHARMACEUTICALS; SOLVENT FOR SURFACE COATINGS, IN LACQUERS & IN LACQUER REMOVERS Source: Hazardous Substances Data Bank (HSDB)
- Uses: Reported uses (ppm): (FEMA, 1994); Table: Reported uses (ppm): (FEMA, 1994) [Table#530] 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 |
|---|---|---|
| EMBL-EBI ChEBI | Exact match | 2026-08-31 |
| 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.