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B88209

Sigma-Aldrich

tert-Butyl acetate

≥99%

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Synonym(s):
TBAc
Linear Formula:
CH3COOC(CH3)3
CAS Number:
Molecular Weight:
116.16
Beilstein/REAXYS Number:
1699506
EC Number:
MDL number:
PubChem Substance ID:

Quality Level

assay

≥99%

form

liquid

refractive index

n20/D 1.386 (lit.)

bp

97-98 °C (lit.)

density

0.866 g/mL at 20 °C (lit.)

SMILES string

CC(=O)OC(C)(C)C

InChI

1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3

InChI key

WMOVHXAZOJBABW-UHFFFAOYSA-N

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This Item
34585714077586843
tert-Butyl acetate ≥99%

B88209

tert-Butyl acetate

Tetrabutylammonium iodide reagent grade, 98%

140775

Tetrabutylammonium iodide

bp

97-98 °C (lit.)

bp

-

bp

-

bp

-

refractive index

n20/D 1.386 (lit.)

refractive index

-

refractive index

-

refractive index

-

form

liquid

form

solid

form

solid

form

crystals

density

0.866 g/mL at 20 °C (lit.)

density

-

density

-

density

-

Application

tert-Butyl acetate can be used to convert:
  • Aromatic nitriles to the corresponding N-tert-butylamides catalyzed by sulfuric acid.
  • S-tert-Butyl-L-cysteine hydrochloride to S-tert-butyl-L-cysteine tert-butyl ester hydrochloride.
  • Lanthanide isopropoxides to lanthanide tert-butoxides in cyclohexane.

pictograms

FlameExclamation mark

signalword

Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Flam. Liq. 2

supp_hazards

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

39.2 °F - closed cup

flash_point_c

4 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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tert-Butyl group as thiol protection in peptide synthesis.
Pastuszak J J and Chimiak A
The Journal of Organic Chemistry, 46(9), 1868-1873 (1981)
Preparation and some reactions of alkoxides of gadolinium and erbium.
Mehrotra R C and Batwara J M
Inorganic Chemistry, 9(11), 2505-2510 (1970)
Wenjun Du et al.
Biomacromolecules, 9(10), 2826-2833 (2008-09-18)
Three hyperbranched fluoropolymers were synthesized and their micelles were constructed as potential (19)F MRI agents. A hyperbranched star-like core was first synthesized via atom transfer radical self-condensing vinyl (co)polymerization (ATR-SCVCP) of 4-chloromethyl styrene (CMS), lauryl acrylate (LA), and 1,1,1-tris(4'-(2''-bromoisobutyryloxy)phenyl)ethane (TBBPE).
An efficient method for the conversion of aromatic and aliphatic nitriles to the corresponding N-tert-butyl amides: a modified Ritter reaction.
Reddy KL.
Tetrahedron Letters, 44(7), 1453-1455 (2003)
Morten Jørgensen et al.
Journal of the American Chemical Society, 124(42), 12557-12565 (2002-10-17)
A catalytic amount of Pd(dba)(2) ligated by either carbene precursor N,N'-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazolium (1) or P(t-Bu)(3) mediated the coupling of aryl halides and ester enolates to produce alpha-aryl esters in high yields at room temperature. The reaction was highly tolerant of functionalities

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