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B88209 Sigma-Aldrich

tert-Butyl acetate

≥99%

Synonym: TBAc

  • CAS Number 540-88-5

  • Linear Formula CH3COOC(CH3)3

  • Molecular Weight 116.16

  •  Beilstein/REAXYS Number 1699506

  •  EC Number 208-760-7

  •  MDL number MFCD00008807

  •  PubChem Substance ID 24892097

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Properties

Related Categories Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters,
Quality Level   200
assay   ≥99%
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

Description

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.

Packaging

5, 100, 500 mL in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS02  GHS02
Signal word 
Danger
Hazard statements 
Precautionary statements 
Supplemental Hazard Statements 
EUH066
RIDADR 
UN1123 - class 3 - PG 2 - Butyl acetates
WGK Germany 
WGK 1
RTECS 
AF7400000
Flash Point(F) 
39.2 °F - closed cup
Flash Point(C) 
4 °C - closed cup

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles

Articles

Design and preparation of new palladium precatalysts for C-C and C-N cross-coupling reactions

Good to excellent yields�of aryl trifluoromethyl sulfides, which are an important class of compounds in both the pharmaceutical and agrochemical areas, can be achieved under mild conditions by the Pd...
Keywords: Agrochemicals, Catalysis, Pharmaceutical

Selective Monoarylation of Acetate Esters and Aryl Methyl Ketones Using Aryl Chlorides

A series of palladacyclic precatalysts that incorporate electron-rich di-tert-butylphosphino biaryl ligands is reported. These precatalysts are easily prepared, and their use provides a general means...
Keywords: Amidations, Catalysis, Chromatography, Coupling reactions, Cross couplings, Flash chromatography, Ligands, Thin layer chromatography

Peer-Reviewed Papers
15

References

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