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B88209

Sigma-Aldrich

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
Beilstein:
1699506
EC Number:
208-760-7
MDL number:
MFCD00008807
UNSPSC Code:
12352100
PubChem Substance ID:
24892097
NACRES:
NA.22

Quality Level

200

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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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

Signal Word

Danger

Hazard Statements

H225,H332,H335,H336

Hazard Classifications

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

Target Organs

Central nervous system, Respiratory system

Supplementary Hazards

EUH066

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

39.2 °F - closed cup

Flash Point(C)

4 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW1363
MKCT7780
MKCT1938
MKCQ9327
MKCN6677

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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)
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
John D Budroe et al.
Regulatory toxicology and pharmacology : RTP, 40(2), 168-176 (2004-09-29)
tert-Butyl acetate (TBAc) is an industrial chemical with potential uses as a degreaser and in architectural coatings. Limited chronic toxicity data exist for TBAc. However, acute inhalation exposure data are available for TBAc. Additionally, TBAc has been demonstrated to be
Y S Yang et al.
Birth defects research. Part B, Developmental and reproductive toxicology, 80(5), 374-382 (2007-10-20)
This study investigated the potential adverse effects of tert-butyl acetate (TBAc) on maternal toxicity and embryo-fetal development after maternal exposure of pregnant rats from gestational days 6 through 19. TBAc was administered to pregnant rats by gavage at 0, 400
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