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tert-Butyl acetate

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tert-Butyl acetate
Skeletal formula of tert-butyl acetate
Ball-and-stick model of the tert-butyl acetate molecule
Names
Preferred IUPAC name tert-Butyl acetate
Other names
  • Acetic acid tert-butyl ester
  • t-Butyl acetate
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.007.965 Edit this at Wikidata
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3Key: WMOVHXAZOJBABW-UHFFFAOYSA-N
  • InChI=1/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3Key: WMOVHXAZOJBABW-UHFFFAOYAQ
SMILES
  • O=C(OC(C)(C)C)C
Properties
Chemical formula C6H12O2
Molar mass 116.160 g·mol
Appearance Colorless liquid
Odor Fruity
Density 0.8593 g/cm
Boiling point 97.8 °C (208.0 °F; 370.9 K)
Solubility in water 0.8 wt% at 22 °C
Solubility in ether and ethanol Miscible
Hazards
Occupational safety and health (OHS/OSH):
Main hazards Flammable
Flash point 22 °C; 72 °F; 295 K
Explosive limits From 1.5% to unknown
NIOSH (US health exposure limits):
PEL (Permissible) TWA 200 ppm (950 mg/m)
REL (Recommended) TWA 200 ppm (950 mg/m)
IDLH (Immediate danger) 1500 ppm
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Chemical compound

tert-Butyl acetate, t-butyl acetate or TBAc is a colorless flammable liquid with a camphor- or blueberry-like smell. It is used as a solvent in the production of lacquers, enamels, inks, adhesives, thinners and industrial cleaners. It has recently gained EPA volatile organic compound (VOC) exempt status.

It is manufactured from acetic acid and isobutylene. An attempt at Fischer esterification would lead to elimination of tert-butyl alcohol to isobutylene.

Butyl acetate has four isomers (or five, including stereoisomers): tert-butyl acetate, n-butyl acetate, isobutyl acetate, and sec-butyl acetate (two enantiomers).

See also

References

  1. ^ tert-Butyl acetate (11th ed.). p. 236. {{cite book}}: |work= ignored (help)
  2. ^ NIOSH Pocket Guide to Chemical Hazards. "#0074". National Institute for Occupational Safety and Health (NIOSH).
  3. "Update: U.S. EPA Exempt Volatile Organic Compounds". American Coatings Association. 2018-01-30. Retrieved 2019-03-20.

External links

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