B88209
tert-Butyl acetate
≥99%
Synonym(s):
TBAc
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About This Item
Linear Formula:
CH3COOC(CH3)3
CAS Number:
Molecular Weight:
116.16
Beilstein:
1699506
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Quality Level
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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Inhalation - Flam. Liq. 2 - STOT SE 3
Target Organs
Central nervous system, Respiratory system
Supplementary Hazards
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
Regulatory Information
危险化学品
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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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