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Merck

B88209

tert-Butyl acetate

≥99%

Synonym(s):

TBAc

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About This Item

Linear Formula:
CH3COOC(CH3)3
CAS Number:
540-88-5
Molecular Weight:
116.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24892097
EC Number:
208-760-7
Beilstein/REAXYS Number:
1699506
MDL number:
MFCD00008807

Key Documents

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Product Name

tert-Butyl acetate, ≥99%

InChI

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

InChI key

WMOVHXAZOJBABW-UHFFFAOYSA-N

SMILES string

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

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.)

Quality Level

200

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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
GHS02,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Flam. Liq. 2 - STOT SE 3

target_organs

Central nervous system, Respiratory system

supp_hazards

EUH066

Storage Class

3 - Flammable liquids

wgk

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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Certificates of Analysis (COA)

Lot/Batch Number
MKCX9806
MKCX1185
MKCW1363
MKCT7780
MKCT1938

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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)
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)
D B McGregor et al.
Mutation research, 565(2), 181-189 (2005-01-22)
Tertiary-Butyl alcohol (TBA), tertiary-butyl acetate (TBAc) and methyl tertiary-butyl ether (MTBE) are chemicals to which the general public may be exposed either directly or as a result of their metabolism. There is little evidence that they are genotoxic; however, an
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