Acetic acid tert-butyl ester

Structural formula
General
Surname	Acetic acid tert-butyl ester
other names	1,1-dimethyl ethyl ethanoate tert -butylacetate
Molecular formula	C 6 H 12 O 2
Brief description	colorless, slightly fruity smelling liquid
External identifiers / databases
CAS number 540-88-5 EC number 208-760-7 ECHA InfoCard 100.007.965 PubChem 10908 Wikidata Q285657
properties
Molar mass	116.16 g mol −1
Physical state	liquid
density	0.86 g cm −3 (20 ° C)
boiling point	97 ° C
Vapor pressure	41 h Pa (20 ° C)
solubility	practically insoluble in water
Refractive index	1.3855 (20 ° C)
safety instructions
GHS hazard labeling from  Regulation (EC) No. 1272/2008 (CLP) , expanded if necessary danger H and P phrases H: 225 EUH: 066 P: 210-403 + 235
MAK	DFG / Switzerland: 50 ml m −3 or 240 mg m −3
As far as possible and customary, SI units are used. Unless otherwise noted, the data given apply to standard conditions . Refractive index: Na-D line , 20 ° C

Acetic acid tert -butyl ester , also tert -butylacetate or 1,1-dimethylethylethanoate ( IUPAC ), is a clear, colorless liquid with a slightly fruity odor. When tert -butyl acetate is the ester of acetic acid and tert -butanol . Isomers of butyl acetate are acetic acid n butyl acetate , isobutyl acetate and acetic acid sec -butyl ester .

properties

Acetic acid tert-butyl ester has a boiling point of 97 ° C under standard conditions .

The compound forms highly flammable vapor-air mixtures. It has a flash point of 1 ° C. The lower explosion limit (LEL) is around 1.3% by volume (64 g / m ³ ). The ignition temperature is 435 ° C. The substance therefore falls into temperature class T2.

Manufacturing

Acetic acid tert -butyl ester cannot be produced by direct esterification of acetic acid with tert- butanol , because under these conditions the tert- butanol reacts in considerable amounts with elimination of water to form isobutene . Instead, the alcohol has to be reacted with acetyl chloride or acetic acid with isobutene under pressure.

use

Acetic acid tert-butyl ester is not very common and is only used in the chemical industry.

Individual evidence

1. ↑ Data sheet for tert-butyl acetate (PDF) from Merck , accessed on January 7, 2008.
2. ↑ ^{a b c d e f g h} Entry on tert-butyl acetate in the GESTIS substance database of the IFA , accessed on February 1, 2016(JavaScript required) .
3. ↑ David R. Lide (Ed.): CRC Handbook of Chemistry and Physics . 90th edition. (Internet version: 2010), CRC Press / Taylor and Francis, Boca Raton, FL, Physical Constants of Organic Compounds, pp. 3-76.
4. ↑ Entry on tert-butyl acetate in the Classification and Labeling Inventory of the European Chemicals Agency (ECHA), accessed on February 1, 2016. Manufacturers or distributors can expand the harmonized classification and labeling .
5. ↑ Swiss Accident Insurance Fund (Suva): Limits - Current MAK and BAT values (search for 540-88-5 or tert-butyl acetate ), accessed on November 2, 2015.
6. ^ ^{A b c} E. Brandes, W. Möller: Safety-related parameters - Volume 1: Flammable liquids and gases , Wirtschaftsverlag NW - Verlag für neue Wissenschaft GmbH, Bremerhaven 2003.