Isoamyl Acetate
- IUPAC name
- 3-methylbutyl acetate
- Molecular formula
- C7H14O2
- Molecular weight
- 130.18 g/mol
- Exact mass
- 130.099379685 Da
- XLogP3
- 2.0
- 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:31725
- ChEMBL:CHEMBL42013
- EPA DTXSID:DTXSID9025453
- PubMed:23038161
- PubMed:22980809
- PubMed:22746983
- PubMed:22730107
- PubMed:22693544
- PubMed:22645482
- PubMed:22619534
- PubMed:22615924
- PubMed:22606025
- PubMed:22563480
- PubMed:22563330
- PubMed:22558349
Evidence from additional scientific databases
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Autoignition Temperature: 680 °F (USCG, 1999) Source: CAMEO Chemicals
- Autoignition Temperature: 680 °F Source: Hazardous Substances Data Bank (HSDB)
- Autoignition Temperature: 360 °C Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Boiling Point: 288 °F at 760 mmHg (NTP, 1992) Source: CAMEO Chemicals
- Boiling Point: 142 °C Source: Hazardous Substances Data Bank (HSDB)
- Boiling Point: 142.00 to 143.00 °C. @ 756.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 142 °C Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Boiling Point: 145 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Boiling Point: 288 °F Source: Occupational Safety and Health Administration (OSHA)
- Boiling Point: 142.5 °C @760 [mm Hg] Source: PAC Chemical Database, U.S. Department of Energy
- Boiling Point: 288 °F Source: The National Institute for Occupational Safety and Health (NIOSH)
- Color/Form: Colorless neutral liquid Source: Hazardous Substances Data Bank (HSDB)
- Density: 0.876 at 59 °F (USCG, 1999) - Less dense than water; will float Source: CAMEO Chemicals
- Density: 0.876 at 15 °C/4 °C Source: Hazardous Substances Data Bank (HSDB)
- Density: DENSITY OF SATURATED AIR 1.03 (AIR= 1) Source: Hazardous Substances Data Bank (HSDB)
- Density: Relative density (water = 1): 0.87 Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Density: 0.868-0.878 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.876 at 59 °F Source: Occupational Safety and Health Administration (OSHA)
- Density: 0.876 @ 15°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: 77 °F (NTP, 1992) Source: CAMEO Chemicals
- Flash Point: 77 °F Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Flash Point: Flash point, closed cup: 92 °F (33 °C); open cup: 100 °F (38 °C). Source: Hazardous Substances Data Bank (HSDB)
- Flash Point: 25 °C closed cup Source: Hazardous Substances Data Bank (HSDB)
- Flash Point: 25 °C c.c. Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Flash Point: 77 °F Source: Occupational Safety and Health Administration (OSHA)
- Flash Point: 77 °F Source: The National Institute for Occupational Safety and Health (NIOSH)
- LogP: log Kow = 2.25 Source: Hazardous Substances Data Bank (HSDB)
- LogP: 2.25 Source: Human Metabolome Database (HMDB)
- LogP: 2.13 Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Melting Point: -109.3 °F (NTP, 1992) Source: CAMEO Chemicals
- Melting Point: -78.5 °C Source: Hazardous Substances Data Bank (HSDB)
- Melting Point: -78.5 °C Source: Human Metabolome Database (HMDB)
- Melting Point: -79 °C Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Melting Point: -109 °F Source: Occupational Safety and Health Administration (OSHA)
- Melting Point: -78.5 °C Source: PAC Chemical Database, U.S. Department of Energy
- Melting Point: -109 °F Source: The National Institute for Occupational Safety and Health (NIOSH)
- Odor: Pear-like odor Source: Hazardous Substances Data Bank (HSDB)
- Odor: Fruity, banana, sweet, fragrant, powerful odor Source: Hazardous Substances Data Bank (HSDB)
- Odor: At room temperature, the low molecular- weight ester isoamyl acetate (IAA)... is a liquid with an intense, but pleasant banana-like odor. Source: Hazardous Substances Data Bank (HSDB)
- Odor: Sweet fruity smell Source: Hazardous Substances Data Bank (HSDB)
- Physical Description: Iso-amyl acetate is an oily liquid; colorless; banana odor. Floats and mixes with water. Flammable, irritating vapor is produced. (USCG, 1999) Source: CAMEO Chemicals
- Physical Description: Liquid; CBI Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Colorless liquid with a banana-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 liquid with a fruity, pear, banana-like odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: Colorless liquid with a banana-like odor. Source: Occupational Safety and Health Administration (OSHA)
- Physical Description: Colorless liquid with a banana-like odor. Source: The National Institute for Occupational Safety and Health (NIOSH)
- Refractive Index: Index of refraction: 1.4000 at 20 °C/D Source: Hazardous Substances Data Bank (HSDB)
- Refractive Index: 1.400-1.404 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: less than 1 mg/mL at 66 °F (NTP, 1992) Source: CAMEO Chemicals
- Solubility: In water, 2000 mg/L at 25 °C Source: Hazardous Substances Data Bank (HSDB)
- Solubility: Soluble in 400 parts water ... Solubility of water in isoamyl acetate (25 °C) 1.6% by volume. Source: Hazardous Substances Data Bank (HSDB)
- Solubility: Miscible with alcohol, ether, ethyl acetate, amyl alcohol. Source: Hazardous Substances Data Bank (HSDB)
- Solubility: 1:3 in 60% alcohol; miscible with most fixed oils Source: Hazardous Substances Data Bank (HSDB)
- Solubility: 2 mg/mL at 25 °C Source: Human Metabolome Database (HMDB)
- Solubility: Solubility in water, g/100ml at 20 °C: 0.2 Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Solubility: Soluble in ether, ethyl acetate and most fixed oils, slightly soluble in water, insoluble in glycerol and propylene glycol Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 1ml in 3ml 60% ethanol (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: 0.3% Source: The National Institute for Occupational Safety and Health (NIOSH)
- Vapor Pressure: 4 mmHg at 68 °F ; 5 mmHg at 74.7 °F; 760 mmHg at 288 °F (NTP, 1992) Source: CAMEO Chemicals
- Vapor Pressure: 5.6 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Vapor Pressure: 5.6 mm Hg at 25 °C /from experimentally derived coefficients/ Source: Hazardous Substances Data Bank (HSDB)
- Vapor Pressure: Vapor pressure, kPa at 20 °C: Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Vapor Pressure: 4 mmHg Source: Occupational Safety and Health Administration (OSHA)
- Vapor Pressure: 5.6 [mm Hg] @25 °C Source: PAC Chemical Database, U.S. Department of Energy
- Vapor Pressure: 4 mmHg Source: The National Institute for Occupational Safety and Health (NIOSH)
- Viscosity: 1.030 cP at 8.97 °C; 0.872 cP at 19.91 °C. 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
- 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: 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] 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 < 0.1% (1 of 2937) 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] Source: European Chemicals Agency (ECHA)
- 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: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 2937 reports by companies from 21 notifications to the ECHA C&L Inventory.; Reported as not meeting GHS hazard criteria per 1 of 2937 reports by companies.; There are 20 notifications provided by 2936 of 2937 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]; H315: Causes skin irritation [Warning Skin corrosion/irritation]; 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]; H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] Source: NITE-CMC
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
- GHS Hazard Statements: H226: Flammable liquid and vapor [Warning Flammable liquids]; H316: Causes mild skin irritation [Warning Skin corrosion/irritation]; 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]; H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] 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)
- Toxicity Summary: IDENTIFICATION AND USE: At room temperature, the low molecular-weight ester isoamyl acetate (IAA) is a clear liquid with an intense sweet, but pleasant, banana or pear-like odor. In alcohol solutions, mineral waters and syrups it is used as a pear flavor. It is also used as solvent for old oil colors, for tannins, nitrocellulose, lacquers, celluloid and camphor; swelling bath sponges; covering unpleasant odors, perfuming shoe polish; manufacturing artificial silk, leather, or pearls, photographic films, celluloid cements, waterproof varnishes, bronzing liquids, and metallic paints; dying and finishing textiles. Honey bees use IAA as an alarm pheromone, and store IAA in their poison sting. Due to its strong smell, which can be perceived at low concentrations, and because of supposedly low toxicity, IAA is used to test the effectiveness of respirators or gas masks. HUMAN EXPOSURE AND TOXICITY: There is a case of a patient who developed a severe reversible extrapyramidal syndrome after inhalation of IAA. IAA vapor is known to irritate eyes, skin and respiratory tract, and to cause mild unspecific central nervous system symptoms. No evidence of delayed contact hypersensitivity, phototo Source: Hazardous Substances Data Bank (HSDB)
- Environmental Bioconcentration: An estimated BCF of 14 was calculated in fish for isoamyl acetate(SRC), using a log Kow of 2.25(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 130(SRC), determined from a log Kow of 2.25(2) and a regression-derived equation(3), indicates that isoamyl acetate is expected to have high mobility in soil(SRC). Volatilization of isoamyl acetate from moist soil surfaces may be an important fate process(SRC) given a Henry's Law constant of 5.87x10-4 atm-cu m/mole(4). Isoamyl acetate is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 5.6 mm Hg at 25 °C(5). Biodegradation data in soil were not available(SRC, 2015). Structurally similar butyl acetate present at 100 mg/L, reached 86% of its theoretical BOD in 2 weeks using an activated sludge inoculum in the Japanese MITI test(6) suggesting that biodegradation of isoamyl acetate may be an important environmental fate process in soil(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 130(SRC), determined from a log Kow of 2.25(2) and a regression-derived equation(3), indicates that isoamyl acetate is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(4) based upon a Henry's Law constant of 5.87 atm-cu m/mole(5). Using this Henry's Law constant and an estimation method(4), volatilization half-lives for a model river and model lake are 2 hours and 5 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 14(SRC), from its log Kow(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation data in water were not available(SRC, 2015). Structurally similar butyl acetate present at 100 mg/L, reached 86% of its theoretical BOD in 2 weeks using an activated sludge inoculum in the Japanese MITI test(7)suggesting that biodegradation of isoamyl acetate may be an important environmental fate process in water(SRC). 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), isoamyl acetate, which has a vapor pressure of 5.6 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase isoamyl 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 5 days(SRC), calculated from its rate constant of 6.0x10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Isoamyl 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; Fragrance Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Flavoring and nutrient; Solvent; Fragrance; Intermediate Source: EPA Chemical Data Reporting (CDR)
- Cosmetic Ingredient Review Link: CIR ingredient: Isoamyl Acetate Source: Cosmetic Ingredient Review (CIR)
- Sources/Uses: Used as an additive to aerosols and cosmetics and to fit-test respirators; [ACGIH] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Uses: In alcohol solutions as a pear flavor in mineral waters and syrups; as solvent for old oil colors, for tannins, nitrocellulose, lacquers, celluloid and camphor; swelling bath sponges; covering unpleasant odors, perfuming shoe polish; manufacturing artificial silk, leather, or pearls, photographic films, celluloid cements, waterproof varnishes, bronzing liquids, and metallic paints; dying and finishing textiles. A special grade of the amyl acetate has been used for burning in the Hefner lamp serving as a photometric standard. Source: Hazardous Substances Data Bank (HSDB)
- Uses: Industrial uses of amyl acetate include the following: ... as a warning odor; in the manufacture of ... artificial glass, and straw hats. Source: Hazardous Substances Data Bank (HSDB)
- Uses: Flavoring, perfumes, solvent for nitrocellulose, masking undesirable odors. Source: Hazardous Substances Data Bank (HSDB)
- Uses: In the manufacture of acetic acid by direct oxidation of a petroleum-based feedstock, solvent extraction has been used to separate acetic acid from the aqueous reaction liquor containing significant quantities of formic and propionic acids. Isoamyl acetate is used as solvent to extract nearly all the acetic acid, and some water, from the aqueous feed. The extract is then dehydrated by azeotropic distillation using isoamyl acetate as water entrainer. Source: Hazardous Substances Data Bank (HSDB)
- Uses: For more Uses (Complete) data for ISOAMYL ACETATE (9 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.