tert-Butyl acetate

*tert*-Butyl acetate
Names
	Preferred IUPAC name tert-Butyl acetate
	Other names Acetic acid tert-butyl ester; t-Butyl acetate;
Identifiers
CAS Number	540-88-5 ;
3D model (JSmol)	Interactive image;
ChemSpider	10446 ;
ECHA InfoCard	100.007.965
PubChem CID	10908;
UNII	76N22HKP3X ;
CompTox Dashboard (EPA)	DTXSID1022055 ;
	InChI InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3 Key: WMOVHXAZOJBABW-UHFFFAOYSA-N ; InChI=1/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3 Key: WMOVHXAZOJBABW-UHFFFAOYAQ;
	SMILES O=C(OC(C)(C)C)C;
Properties
Chemical formula	C6H12O2
Molar mass	116.160 g·mol−1
Appearance	Colorless liquid
Odor	Fruity
Density	0.8593 g/cm3
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/m3)
REL (Recommended)	TWA 200 ppm (950 mg/m3)
IDLH (Immediate danger)	1500 ppm
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

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.^[3]

It is manufactured from acetic acid and isobutylene.^[1] 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).

References

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

External links

[Merck-1] tert-Butyl acetate (11th ed.). p. 236. {{cite book}}: |work= ignored (help)

[PGCH-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.

[3]

[1]

[2]

Names


Preferred IUPAC name tert-Butyl acetate
Other names Acetic acid tert-butyl ester t-Butyl acetate
Identifiers
CAS Number	540-88-5^Y
3D model (JSmol)	Interactive image
ChemSpider	10446^Y
ECHA InfoCard	100.007.965
PubChem CID	10908
UNII	76N22HKP3X^Y
CompTox Dashboard (EPA)	DTXSID1022055
InChI InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3^Y Key: WMOVHXAZOJBABW-UHFFFAOYSA-N^Y InChI=1/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3 Key: WMOVHXAZOJBABW-UHFFFAOYAQ
SMILES O=C(OC(C)(C)C)C
Properties
Chemical formula	C₆H₁₂O₂
Molar mass	116.160 g·mol⁻¹
Appearance	Colorless liquid
Odor	Fruity
Density	0.8593 g/cm³^[1]
Boiling point	97.8 °C (208.0 °F; 370.9 K)^[1]
Solubility in water	0.8 wt% at 22 °C
Solubility in ether and ethanol	Miscible^[1]
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Flammable
Flash point	22 °C; 72 °F; 295 K^[2]
Explosive limits	From 1.5% to unknown^[2]
NIOSH (US health exposure limits):
PEL (Permissible)	TWA 200 ppm (950 mg/m³)^[2]
REL (Recommended)	TWA 200 ppm (950 mg/m³)^[2]
IDLH (Immediate danger)	1500 ppm^[2]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is ^YN ?) Infobox references

tert-Butyl acetate

See also

References

External links