Isobutyl Acetate
- IUPAC name
- 2-methylpropyl acetate
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16 g/mol
- Exact mass
- 116.083729621 Da
- XLogP3
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:50569
- ChEMBL:CHEMBL46999
- EPA DTXSID:DTXSID5026837
- PubMed:22497266
- PubMed:22093681
- PubMed:21949874
- PubMed:21087836
- PubMed:20461506
- PubMed:20152017
- PubMed:20065117
- PubMed:19544040
- PubMed:19088332
- PubMed:17365033
- PubMed:16978833
- PubMed:16240461
Evidence from additional scientific databases
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Autoignition Temperature: 793 °F (USCG, 1999) Source: CAMEO Chemicals
- Autoignition Temperature: 421 °C (790 °F) Source: Hazardous Substances Data Bank (HSDB)
- Autoignition Temperature: 421 °C Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Boiling Point: 243.1 °F at 760 mmHg (USCG, 1999) Source: CAMEO Chemicals
- Boiling Point: 116.5 °C Source: Hazardous Substances Data Bank (HSDB)
- Boiling Point: 116.50 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 118 °C Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Boiling Point: 116-118 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Boiling Point: 243 °F Source: Occupational Safety and Health Administration (OSHA)
- Boiling Point: 116.5 °C @760 [mm Hg] Source: PAC Chemical Database, U.S. Department of Energy
- Boiling Point: 243 °F Source: The National Institute for Occupational Safety and Health (NIOSH)
- Color/Form: Colorless liquid Source: Hazardous Substances Data Bank (HSDB)
- Density: 0.871 at 68 °F (USCG, 1999) - Less dense than water; will float Source: CAMEO Chemicals
- Density: 0.8712 g/cu cm at 20 °C Source: Hazardous Substances Data Bank (HSDB)
- Density: Bulk density: 7.23 lb/gal Source: Hazardous Substances Data Bank (HSDB)
- Density: DENSITY OF SATURATED AIR: 1.08 (AIR = 1); CONVERSION FACTORS: 1 MG/L IS EQUIVALENT TO 211 PPM; 1 PPM IS EQUIVALENT TO 4.75 MG/CU M Source: Hazardous Substances Data Bank (HSDB)
- Density: Relative density (water = 1): 0.87 Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Density: 0.862-0.871 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.87 Source: Occupational Safety and Health Administration (OSHA)
- Density: 0.8712 @ 20°C Source: PAC Chemical Database, U.S. Department of Energy
- Density: 0.87 Source: The National Institute for Occupational Safety and Health (NIOSH)
- Flash Point: 62 °F (USCG, 1999) Source: CAMEO Chemicals
- Flash Point: 18 °C Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Flash Point: 18 °C (64 °F) (Closed cup) Source: Hazardous Substances Data Bank (HSDB)
- Flash Point: 85 °F (Open cup) Source: Hazardous Substances Data Bank (HSDB)
- Flash Point: 18 °C c.c. Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Flash Point: 64 °F Source: Occupational Safety and Health Administration (OSHA)
- Flash Point: 64 °F Source: The National Institute for Occupational Safety and Health (NIOSH)
- LogP: log Kow = 1.78 Source: Hazardous Substances Data Bank (HSDB)
- LogP: 1.78 Source: Human Metabolome Database (HMDB)
- LogP: 1.60 Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Melting Point: -142.8 °F (USCG, 1999) Source: CAMEO Chemicals
- Melting Point: -98.8 °C Source: Hazardous Substances Data Bank (HSDB)
- Melting Point: -98.85 °C Source: Human Metabolome Database (HMDB)
- Melting Point: -99 °C Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Melting Point: -145 °F Source: Occupational Safety and Health Administration (OSHA)
- Melting Point: -98.8 °C Source: PAC Chemical Database, U.S. Department of Energy
- Melting Point: -145 °F Source: The National Institute for Occupational Safety and Health (NIOSH)
- Odor: Fruit-like odor Source: Hazardous Substances Data Bank (HSDB)
- Odor: Fruity, floral odor Source: Hazardous Substances Data Bank (HSDB)
- Odor: FRUITY (CURRANT-PEAR), FLORAL (HYACINTH-ROSE) ODOR Source: Hazardous Substances Data Bank (HSDB)
- Odor: SOLVENTY NAIL POLISH-LIKE ODOR Source: Hazardous Substances Data Bank (HSDB)
- Physical Description: Isobutyl acetate appears as a clear colorless liquid with a fruity odor. Flash point 64 °F. Less dense than water (6.2 lb / gal) and insoluble in water. Vapors are heavier than air. Source: CAMEO Chemicals
- Physical Description: Liquid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Colorless liquid with a fruity, floral 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 liquid with a fruity, banana-like odour on dilution Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: Colorless liquid with a fruity, floral odor. Source: Occupational Safety and Health Administration (OSHA)
- Physical Description: Colorless liquid with a fruity, floral odor. Source: The National Institute for Occupational Safety and Health (NIOSH)
- Refractive Index: Index of refraction: 1.3902 at 20 °C Source: Hazardous Substances Data Bank (HSDB)
- Refractive Index: 1.389-1.392 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 0.6 % at 77 °F (NIOSH, 2024) Source: CAMEO Chemicals
- Solubility: Miscible with ethanol, ether and methanol; soluble in acetone; slightly soluble in carbon tetrachloride Source: Hazardous Substances Data Bank (HSDB)
- Solubility: In water: 0.67 g/100 g at 20 °C Source: Hazardous Substances Data Bank (HSDB)
- Solubility: In water, 6300 mg/L at 25 °C Source: Hazardous Substances Data Bank (HSDB)
- Solubility: 6.3 mg/mL at 25 °C Source: Human Metabolome Database (HMDB)
- Solubility: Solubility in water, g/100ml at 20 °C: 0.67 Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Solubility: soluble in alcohol, most fixed oils, propylene glycol, 1 ml in 180 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: (77 °F): 0.6% Source: The National Institute for Occupational Safety and Health (NIOSH)
- Vapor Pressure: 20.68 mmHg (USCG, 1999) Source: CAMEO Chemicals
- Vapor Pressure: 17.8 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Vapor Pressure: VP: 10 Pa at -61 °C; 100 Pa at -40 °C; 1kPa at -11 °C; 10 kPa at 29.8 °C; 100 kPa at 88.2 °C (extrapolated) Source: Hazardous Substances Data Bank (HSDB)
- Vapor Pressure: 17.8 mm Hg at 25 °C Source: Hazardous Substances Data Bank (HSDB)
- Vapor Pressure: Vapor pressure, kPa at 20 °C: 1.73 Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Vapor Pressure: 13 mmHg Source: Occupational Safety and Health Administration (OSHA)
- Vapor Pressure: 7.5 [mm Hg] @10 °C Source: PAC Chemical Database, U.S. Department of Energy
- Vapor Pressure: 13 mmHg Source: The National Institute for Occupational Safety and Health (NIOSH)
- Viscosity: 0.676 mPa s at 25 °C; 0.493 mPa s at 50 °C; 0.370 mPa s at 75 °C; 0.286 mPa s at 100 °C Source: Hazardous Substances Data Bank (HSDB)
- pH: Neutral Source: Hazardous Substances Data Bank (HSDB)
- Exposure Routes: The substance can be absorbed into the body by inhalation of its vapour. 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: Excerpt from NIOSH Pocket Guide for Isobutyl acetate:; 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 PROMPTLY - If this chemical contacts the skin, flush the contaminated skin with water promptly. If this chemical penetrates the clothing, immediately remove the clothing and flush the skin with water promptly. If irritation persists after washing, get medical attention.; Breathing: RESPIRATORY SUPPORT - If a person breathes large amounts of this chemical, move the exposed person to fresh air at once. If breathing has stopped, perform artificial respiration. Keep the affected person warm and at rest. Get medical attention as soon as possible.; Swallow: MEDICAL ATTENTION IMMEDIATELY - If this chemical has been swallowed, get medical attention immediately. (NIOSH, 2024) Source: CAMEO Chemicals
- ERG2024, Guide 129 (Isobutyl acetate): 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 promptly - If this chemical contacts the skin, flush the contaminated skin with water promptly. If this chemical penetrates the clothing, immediately remove the clothing and flush the skin with water promptly. If irritation persists after washing, 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)
- Signal: Danger Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- GHS Hazard Statements: H225: Highly Flammable liquid and vapor [Danger Flammable liquids] Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, 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 6% (177 of 2941) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Danger Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H225 (94%): Highly Flammable liquid and vapor [Danger Flammable liquids]; H336 (15.4%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects] 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 2941 reports by companies from 37 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 177 of 2941 reports by companies.; There are 36 notifications provided by 2764 of 2941 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]; H320: Causes eye irritation [Warning Serious eye damage/eye irritation]; H332: 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]; H402: Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard] Source: NITE-CMC
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P273, P280, P303+P361+P353, P304+P340, P305+P351+P338, P317, 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]; H316: Causes mild skin irritation [Warning Skin corrosion/irritation]; H320: Causes eye irritation [Warning Serious eye damage/eye irritation]; H333: May be harmful if inhaled [Warning Acute toxicity, inhalation] 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: 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)
- Cosmetic Ingredient Review Finding(s): Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org Source: Cosmetic Ingredient Review (CIR)
- Environmental Bioconcentration: An estimated BCF of 7 was calculated in fish for isobutyl acetate(SRC), using a log Kow of 1.78(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 16(SRC), determined from a structure estimation method(2), indicates that isobutyl acetate is expected to have very high mobility in soil(SRC). Volatilization of isobutyl acetate from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 4.54X10-4 atm-cu m/mole(3). Isobutyl acetate is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 17.8 mm Hg at 25 °C(4). Biodegradation is expected to occur based upon theoretical BODs of 60% and 81% in 5- and 20-day, respectively, fresh water dilution tests(5). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 16(SRC), determined from a structure estimation method(2), indicates that isobutyl acetate 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 4.54X10-4 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 5.2 hours and 4.9 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 7(SRC), from its log Kow of 1.78(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation is expected to occur based upon theoretical BODs of 60% and 81% in 5- and 20-day, respectively, fresh water dilution tests(8). Hydrolysis is expected to occur slowly based upon estimated hydrolysis half-lives of 3 years and 122 days at pH 7 and 8, respectively(9). 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), isobutyl acetate, which has a vapor pressure of 17.8 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase isobutyl acetate 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 2.9 days(SRC), calculated from its rate constant of 5.52X10-12 cu cm/molecule-sec at 25 °C(3). Isobutyl acetate does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Consumer Uses: Not Known or Reasonably Ascertainable; Solvent Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Solvent; Fuel Source: EPA Chemical Data Reporting (CDR)
- Cosmetic Ingredient Review Link: CIR ingredient: Isobutyl Acetate Source: Cosmetic Ingredient Review (CIR)
- Sources/Uses: Solvent uses include nitrocellulose, thinners, sealants, lacquers, and perfumes; [Hawley] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Industrial Processes with risk of exposure: Painting (Solvents) [Category: Paint]; Working with Glues and Adhesives [Category: Other] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Uses: Solvent for nitrocellulose; in thinners, sealants, and topcoat lacquers; perfumery; flavoring agent. Source: Hazardous Substances Data Bank (HSDB)
- Uses: Used in fragrances Source: Hazardous Substances Data Bank (HSDB)
- Uses: INGREDIENT OF SYNTHETIC FLAVOR USEFUL IN BANANA, RASPBERRY, STRAWBERRY, BUTTER. Source: Hazardous Substances Data Bank (HSDB)
- Uses: Reported uses (ppm):; Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#1713] 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.