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Isopropyl acetate

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Isopropyl acetate Basic information
Isopropyl acetate Chemical Properties
  • Melting point:-73 °C
  • Boiling point:88.8 °C
  • Density 0.872 g/mL at 25 °C(lit.)
  • vapor density 3.5 (vs air)
  • vapor pressure 47 mm Hg ( 20 °C)
  • refractive index n20/D 1.377(lit.)
  • Flash point:62 °F
  • storage temp. Store below +30°C.
  • solubility 1 M HCl: soluble50mg/mL, clear to slightly hazy, colorless
  • form Liquid
  • color Clear colorless
  • OdorPleasant, fruity; nonresidual.
  • Odor Threshold0.16ppm
  • explosive limit1.8%, 37°F
  • Water Solubility 2.90 g/100 mL
  • FreezingPoint -73.4℃
  • Sensitive Moisture Sensitive
  • Merck 14,5205
  • JECFA Number305
  • BRN 1740761
  • Exposure limitsTLV-TWA 250 ppm (~950 mg/m3) (ACGIH, MSHA, and OSHA); TLV-STEL 310 ppm (~1185 mg/m3) (ACGIH); IDLH 16,000 ppm (NIOSH).
  • Stability:Stable. Flammable - note low flash point. Incompatible with strong oxidizing agents, strong acids, nitrates, alkali metals. May attack some plastics and rubber.
  • CAS DataBase Reference108-21-4(CAS DataBase Reference)
  • NIST Chemistry ReferenceAcetic acid, 1-methylethyl ester(108-21-4)
  • EPA Substance Registry SystemIsopropyl acetate (108-21-4)
Safety Information
Isopropyl acetate Usage And Synthesis
  • DescriptionIsopropyl acetate has an intense, fruity odor. On dilution, it has a sweet apple-like flavor. Synthesized by direct acetylation of isopropyl alcohol in the presence of various catalysts: concentrated H2S04, diethyl sulfate, chlorosulfonic acid, and boron trifluoride.
  • Chemical PropertiesIsopropyl acetate has an intense, fruity odor. On dilution, it has a sweet apple-like flavor.
  • Chemical Propertiescolourless liquid with a fruity odour
  • Physical propertiesClear, colorless liquid with an aromatic odor. Experimentally determined detection and recognition odor threshold concentrations were 2.1 mg/m3 (500 ppbv) and 3.8 mg/m3 (910 ppbv), respectively (Hellman and Small, 1974).
  • OccurrenceReported found in pineapple, pear, cocoa, apple, banana, black currants, grapes, melons, strawberry, cheddar cheese, beer, white wine, red wine, cocoa, honey, soybean, yellow passion fruit, beans, plum brandy and nectarines
  • UsesSolvent for cellulose derivatives, plastics, oils and fats; in perfumery.
  • UsesIsopropyl acetate is used as a solvent fornitrocellulose, plastics, oils, and fats, and asa flavoring agent. Isopropyl Acetate is a widely used chemical solvent in organic and industrial syntheses. Also used in the dissolution of gallstones. Environmental contaminants; Food contaminants.
  • UsesIsopropyl acetate is a solvent in chemical industry, especially for cellulose, plastics, waxes, resins, gums, paints, oil and fats. and also as flavoring agent. It is an active component of perfumes and printing inks. It is also employed as an extractant for the preparation of antibiotics, vitamins and hormones.
  • Production MethodsIsopropyl acetate is prepared from propylene and anhydrous acetic acid in the presence of a catalyst . It may also be produced by reacting isopropyl alcohol with acetic acid in the presence of catalysts .
  • PreparationBy direct acetylation of isopropyl alcohol in the presence of various catalysts; concentrated H2SO4, diethyl sulfate, chlorosulfonic acid and boron trifluoride.
  • DefinitionChEBI: A branched-chain saturated fatty acid anion that is the conjugate base of isovaleric acid; reported to improve ruminal fermentation and feed digestion in cattle.
  • Aroma threshold valuesDetection; 1.7 to 4.4 ppm
  • Taste threshold valuesTaste characteristics at 60 ppm: ethereal, tutti-frutti, with a fruity apple and banana nuance
  • Synthesis Reference(s)The Journal of Organic Chemistry, 39, p. 3728, 1974 DOI: 10.1021/jo00939a026
  • General DescriptionA clear colorless liquid. Flash point 40°F. Vapors are heavier than air. Contact with the material may irritate skin, eyes or mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used as a solvent.
  • Air & Water ReactionsHighly flammable. Less dense than water and slightly soluble in water.
  • Reactivity ProfileIsopropyl acetate is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Isopropyl acetate can react vigorously with nitrates, strong oxidizers, strong alkalis and strong acids. Isopropyl acetate may also attack some forms of rubber, plastics and coatings. .
  • HazardFlammable, dangerous fire risk.
  • Health HazardVapors irritate eyes and respiratory tract; high concentrations can be anesthetic. Liquid irritates eyes but causes no serious injury; may cause dermatitis; no serious effects if swallowed.
  • Health HazardIsopropyl acetate is an irritant to the eyes,nose, and throat. The acute toxicity in laboratory animals was low. Exposure to highconcentrations in air or ingestion can produce narcotic effects. A 4-hour exposure to aconcentration of 32,000 ppm in air was fatalto rats (ACGIH 1986). The oral LD50 valuein rats is in the range 6000 mg/kg.
  • Fire HazardHIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
  • Chemical ReactivityReactivity with Water: No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
  • SourceIdentified among 139 volatile compounds identified in cantaloupe (Cucumis melo var. reticulates cv. Sol Real) using an automated rapid headspace solid phase microextraction method (Beaulieu and Grimm, 2001).
  • Environmental FateChemical/Physical. Hydrolyzes in water forming isopropyl alcohol and acetic acid (Morrison and Boyd, 1971). The estimated hydrolysis half-life at 25 °C and pH 7 is 8.4 yr (Mabey and Mill, 1978).
    At an influent concentration of 1,000 mg/L, treatment with GAC resulted in an effluent concentration of 319 mg/L. The adsorbability of the carbon used was 137 mg/g carbon (Guisti et al., 1974).
  • Purification MethodsWash the acetate with 50% aqueous K2CO3 (to remove acid), then with saturated aqueous CaCl2 (to remove any alcohol). Dry it with CaCl2 and fractionally distil it. [Beilstein 2 IV 141.]
Isopropyl acetate Preparation Products And Raw materials
Isopropyl acetate (108-21-4)Related Product Information
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