ChemicalBook Product Catalog Chemical Reagents Organic reagents Esters Butyl Ester compounds tert-Butyl acetate

tert-Butyl acetate

tert-Butyl acetate Basic information
Product Name:tert-Butyl acetate
Synonyms:tertiairybutylacetate;tertiarybutylacetate;Texaco lead appreciator;texacoleadappreciator;TLA;T-BUTYL ACETATE;TBAC(TM);TERT-BUTYL ACETATE
CAS:540-88-5
MF:C6H12O2
MW:116.16
EINECS:208-760-7
Product Categories:Building Blocks;C6 to C7;Medical Intermediates;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks;Organics;C6 to C7;Carbonyl Compounds;Esters
Mol File:540-88-5.mol
tert-Butyl acetate Structure
tert-Butyl acetate Chemical Properties
Melting point -62°C
Boiling point 98 °C
density 0.866 g/mL at 20 °C(lit.)
vapor density 4.01 (vs air)
vapor pressure 41 hPa (20 °C)
refractive index n20/D 1.386(lit.)
Fp 60 °F
storage temp. Store below +30°C.
solubility Miscible with alcohol and ether (Windholz et al., 1983).
form Liquid
color Clear colorless
OdorFruity
Odor Threshold0.071ppm
explosive limit1.5%(V)
Water Solubility insoluble
Merck 14,1537
BRN 1699506
Exposure limitsNIOSH REL: TWA 200 ppm (950 mg/m3), IDLH 1,500 ppm; OSHA PEL: TWA 200 ppm; ACGIH TLV: TWA 200 ppm (adopted).
InChIKeyWMOVHXAZOJBABW-UHFFFAOYSA-N
LogP1.64 at 21.7℃
CAS DataBase Reference540-88-5(CAS DataBase Reference)
NIST Chemistry ReferenceAcetic acid, 1,1-dimethylethyl ester(540-88-5)
EPA Substance Registry Systemtert-Butyl acetate (540-88-5)
Safety Information
Hazard Codes F
Risk Statements 11-66
Safety Statements 16-23-25-29-33
RIDADR UN 1123 3/PG 2
WGK Germany 1
RTECS AF7400000
TSCA Yes
HazardClass 3
PackingGroup III
HS Code 29153990
Hazardous Substances Data540-88-5(Hazardous Substances Data)
ToxicityLD50 orally in Rabbit: 4100 mg/kg
IDLA1,500 ppm
MSDS Information
ProviderLanguage
Acetic acid 1,1-dimethylethyl ester English
SigmaAldrich English
ACROS English
ALFA English
tert-Butyl acetate Usage And Synthesis
Chemical Propertiestert-Butyl acetate or t-butyl acetate is a colorless flammable liquid with a camphoror blueberry-like smell. It is used as a solvent in the production of lacquers, enamels, inks, adhesives, thinners, and industrial cleaners. It is also used as an additive to improve the antiknock properties of motor fuels. tert-Butyl acetate has three isomers: n-butyl acetate, isobutyl acetate, and sec-butyl acetate.
Physical propertiesColorless liquid with a fruity odor. Odor threshold concentration in water is 4 ppm (CHRIS, 1994). Nagata and Takeuchi (1990) reported an odor threshold concentration of 71 ppbv.
Usestert-Butyl acetate is common industrial solvent used in the making of lacquers, artificial leather, airplane dope, perfume, and as a food additive.
Production Methodstert-Butyl acetate is prepared from isobutylene reacting with acetic acid in the liquid phase with vanadium pentoxideimpregnated silica as the catalyst and with heat to increase the yield .
Synthesis Reference(s)Organic Syntheses, Coll. Vol. 3, p. 142, 1955
Synthesis, p. 1015, 1987
Tetrahedron Letters, 37, p. 4555, 1996 DOI: 10.1016/0040-4039(96)00902-1
General DescriptionTert-butyl acetate is a colorless liquid with a mild odor. Floats on water. Produces irritating vapor. (USCG, 1999)
Air & Water ReactionsHighly flammable. Insoluble in water.
Reactivity Profiletert-Butyl 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. tert-Butyl acetate is incompatible with the following: Nitrates; strong oxidizers, alkalis & acids .
HazardFlammable, moderate fire risk. Eye and upper respiratory tract irritant.
Health HazardExposure to tert-butyl acetate causes eye, skin, and respiratory irritation in workers. By analogy with the effects of exposure to similar esters, tert-butyl acetate may act as a CNS depressant at high concentrations. The signs and symptoms of acute exposure to tert-butyl acetate include, but are not limited to, itchy or inflamed eyes and irritation of the nose and upper respiratory tract. Exposures to tert-butyl acetate at high concentrations may cause headache, drowsiness, and other narcotic effects.
Safety ProfilePoison by inhalation and ingestion. Flammable. To fight fire, use alcohol foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.
Potential Exposuren-Butyl acetate is an important solvent in the production of lacquers, leather and airplane dopes, and perfumes. It is used as a solvent and gasoline additive. sec-Butyl acetate is used as a widely used solvent for nitrocellulose, nail enamels and many different purposes. tert-Butyl acetate is common industrial solvent used in the making of lacquers, artificial leather, airplane dope, perfume; and as a food additive. Isobutyl acetate is used as a solvent and in perfumes and artificial flavoring materials
Environmental fateChemical/Physical. Hydrolyzes in water to tert-butyl alcohol and acetic acid. The estimated hydrolysis half-life at 25 °C and pH 7 is 140 yr (Mabey and Mill, 1978).
storagetert-Butyl acetate should be stored in a cool, dry, well-ventilated area in tightly sealed containers that are labeled in accordance with regulatory standards. Containers of tert butyl acetate should be protected from physical damage and should be stored separately from nitrates, strong oxidizers, strong acids, strong alkalis, heat, sparks, and open flame. Because containers that formerly contained tert-butyl acetate may still hold product resi dues, they should be handled appropriately
ShippingUN1123 Butyl acetates, Hazard Class: 3; Labels: 3—Flammable liquid.
Purification MethodsWash the ester with 5% Na2CO3 solution, then saturated aqueous CaCl2, dry with CaSO4 and distil it. [McClosky et al. Org Synth Coll Vol IV 263 1963, Mangia et al. Org Prep Proc Int 18 13 1986, Beilstein 2 IV 151.]
IncompatibilitiesAll butyl acetates are incompatible with nitrates, strong oxidizers; strong alkalies; strong acids. Butyl acetates may form explosive mixture with air; reacts with water, on standing, to form acetic acid and n-butyl alcohol. Violent reaction with strong oxidizers and potassium-tert-butoxide. Dissolves rubber, many plastics, resins and some coatings. May accumulate static electrical charges, and may cause ignition of its vapors
Waste DisposalDissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
PrecautionsIf exposures to tert-butyl acetate or a solution in work areas gets into the eyes, immediately fl ush the eyes with large amounts of water for a minimum of 15 min, lifting the lower and upper lids occasionally. Always use safety goggles or eye protection in combination with breathing protection.
t-butyl chloroformate Sodium acetate Ethyl 2-(Chlorosulfonyl)acetate Acetic anhydride tert-Butyl acetate t-Butyl 2-bromo isobutyrate POLY(VINYL ACETATE) Tris(trimethylsilyl)phosphate Butyl acetate ACETATE BUTYL OLEATE DL-sec-Butyl acetate Vinyl acetate TERT-BUTYL ISOCYANIDE Ammonium acetate Methyl acrylate tert-Butyl glycinate Phenylacetic acid
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