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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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
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
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
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
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)
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