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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
Assay:
≥99%
Form:
liquid

Key Documents

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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
MKDB1189
MKCX9806
MKCX1185
MKCW1363
MKCT7780

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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
G Groth et al.
Human & experimental toxicology, 13(7), 478-480 (1994-07-01)
1. A continuous 5 h-exposure to approximately 440 ppm tert-butyl acetate in air (via a tracheal canule) resulted in continuously increasing concentrations of tert-butyl acetate and tert-butyl alcohol (metabolite of tert-butyl acetate) in the blood of rats. 2. This accumulation
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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