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tert-Butyl acetate

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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
  • Carbonyl Compounds
  • Chemical Synthesis
  • Organic Building Blocks
  • Medical Intermediates
  • Organics
  • C6 to C7
  • Carbonyl Compounds
  • Esters
Mol File:
540-88-5.mol
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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.)
Flash point:
60 °F
storage temp. 
Flammables area
solubility 
Miscible with alcohol and ether (Windholz et al., 1983).
form 
Liquid
color 
Clear colorless
Odor
Fruity
Odor Threshold
0.071ppm
explosive limit
1.5%(V)
Water Solubility 
insoluble
Merck 
14,1537
BRN 
1699506
Exposure limits
NIOSH REL: TWA 200 ppm (950 mg/m3), IDLH 1,500 ppm; OSHA PEL: TWA 200 ppm; ACGIH TLV: TWA 200 ppm (adopted).
InChIKey
WMOVHXAZOJBABW-UHFFFAOYSA-N
CAS DataBase Reference
540-88-5(CAS DataBase Reference)
NIST Chemistry Reference
Acetic acid, 1,1-dimethylethyl ester(540-88-5)
EPA Substance Registry System
tert-Butyl acetate (540-88-5)
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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 Data
540-88-5(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 4100 mg/kg

MSDS

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tert-Butyl acetate Usage And Synthesis

Description

tert-Butyl acetate, or t-butyl acetate, is a colourless 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 anti-knock properties of motor fuels. tert-Butyl acetate has three isomers: n-butyl acetate, isobutyl acetate, and sec-butyl acetate.

Chemical Properties

Clear, colorless liquid

Chemical Properties

tert-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.

Chemical Properties

Butyl acetates are colorless or yellowish liquids with pleasant, fruity odors. There are 4 isomers.

Physical properties

Colorless 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.

Uses

Gasoline additive; lacquer solvent

Uses

Tert-butyl Acetate is a common solvent used in the production of various industrial cleansers, thinners and adhesives and is also known as a VOC.

Uses

As gasoline additive (Wheeler et al.).

Production Methods

tert-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 Description

Colorless liquid with a mild odor. Floats on water. Produces irritating vapor.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

tert-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 .

Hazard

Flammable, moderate fire risk. Eye and upper respiratory tract irritant.

Health Hazard

INHALATION: Irritation of throat. EYES: Irritation.

Health Hazard

Exposure 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 Profile

Poison 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 Exposure

n-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 Fate

Chemical/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).

storage

tert-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

Shipping

UN1123 Butyl acetates, Hazard Class: 3; Labels: 3—Flammable liquid.

Purification Methods

Wash 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.]

Incompatibilities

All 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 Disposal

Dissolve 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.

Precautions

If 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.

tert-Butyl acetate Preparation Products And Raw materials

Raw materials

Preparation Products

tert-Butyl acetate Supplier

Yueyang Fuhe Technology Co. Ltd. Gold
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0730-7666198-
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fuhetechnology@gpcchem.com
J & K SCIENTIFIC LTD.
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010-82848833- ;010-82848833-
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Meryer (Shanghai) Chemical Technology Co., Ltd.
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21-61259100-
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sh@meryer.com
3B Pharmachem (Wuhan) International Co.,Ltd.
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821-50328103-801
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Alfa Aesar
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400-610-6006; 021-67582000
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saleschina@alfa-asia.com