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45880

tert-Butyl acetate

purum, ≥99.0% (GC)

Synonym(s):

TBAc

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About This Item

Linear Formula:
CH3COOC(CH3)3
CAS Number:
540-88-5
Molecular Weight:
116.16
EC Number:
208-760-7
UNSPSC Code:
12352100
PubChem Substance ID:
24869333
Beilstein/REAXYS Number:
1699506
MDL number:
MFCD00008807
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grade

purum

assay

≥99.0% (GC)

refractive index

n20/D 1.386 (lit.), n20/D 1.387

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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Other Notes

Reagent used for the synthesis of tert-butyl esters

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

Regulatory Information

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A. Mangia et al.
Organic preparations and procedures international, 18, 13-13 (1986)
E. Taschner et al.
Justus Liebigs Annalen der Chemie, 646, 134-134 (1961)
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).
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
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