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Tert-butyl acetate

Base Information
  • Chemical Name:Tert-butyl acetate
  • CAS No.:540-88-5
  • Molecular Formula:C6H12O2
  • Molecular Weight:116.16
  • Hs Code.:2915.39
  • European Community (EC) Number:208-760-7
  • ICSC Number:1445
  • NSC Number:59719
  • UN Number:1123
  • UNII:76N22HKP3X
  • DSSTox Substance ID:DTXSID1022055
  • Nikkaji Number:J3.290E
  • Wikipedia:Tert-Butyl_acetate
  • Wikidata:Q285657
  • ChEMBL ID:CHEMBL3186747
  • Mol file:540-88-5.mol
Tert-butyl acetate

Synonyms:tert-butyl acetate

Suppliers and Price of Tert-butyl acetate
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • tert-Butyl Acetate
  • 10g
  • $ 50.00
  • TCI Chemical
  • tert-Butyl Acetate >99.0%(GC)
  • 500mL
  • $ 89.00
  • TCI Chemical
  • tert-Butyl Acetate >99.0%(GC)
  • 25mL
  • $ 21.00
  • Sigma-Aldrich
  • tert-Butyl acetate ≥99%
  • 5ml
  • $ 27.50
  • Sigma-Aldrich
  • tert-Butyl acetate ≥99%
  • 100ml
  • $ 64.00
  • Sigma-Aldrich
  • tert-Butyl acetate for synthesis. CAS 540-88-5, EC Number 208-760-7, chemical formula CH COOC(CH ) ., for synthesis
  • 8021890250
  • $ 56.30
  • Sigma-Aldrich
  • tert-Butyl acetate for synthesis
  • 250 mL
  • $ 53.93
  • Sigma-Aldrich
  • tert-Butyl acetate for synthesis. CAS 540-88-5, EC Number 208-760-7, chemical formula CH COOC(CH ) ., for synthesis
  • 8021891000
  • $ 186.00
  • Sigma-Aldrich
  • tert-Butyl acetate for synthesis
  • 1 L
  • $ 178.52
  • Sigma-Aldrich
  • tert-Butyl acetate ≥99%
  • 500ml
  • $ 155.00
Total 33 raw suppliers
Chemical Property of Tert-butyl acetate
Chemical Property:
  • Appearance/Colour:Clear, colorless liquid 
  • Vapor Pressure:40.6mmHg at 25°C 
  • Melting Point:-62 °C 
  • Refractive Index:1.3853 
  • Boiling Point:98 °C at 760 mmHg 
  • Flash Point:11 °C 
  • PSA:26.30000 
  • Density:0.885 g/cm3 
  • LogP:1.34800 
  • Storage Temp.:Flammables area 
  • Solubility.:Miscible with alcohol and ether (Windholz et al., 1983). 
  • Water Solubility.:insoluble 
  • XLogP3:1.8
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:2
  • Exact Mass:116.083729621
  • Heavy Atom Count:8
  • Complexity:89.2
  • Transport DOT Label:Flammable Liquid
Purity/Quality:

99.5% *data from raw suppliers

tert-Butyl Acetate *data from reagent suppliers

Safty Information:
  • Pictogram(s): Flammable
  • Hazard Codes:
  • Statements: 11-66 
  • Safety Statements: 16-23-25-29-33 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:
  • Chemical Classes:Solvents -> Esters (
  • Canonical SMILES:CC(=O)OC(C)(C)C
  • Inhalation Risk:A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.
  • Effects of Short Term Exposure:The vapour is irritating to the respiratory tract. The substance is mildly irritating to the eyes and skin. Exposure far above the OEL could cause lowering of consciousness.
  • Effects of Long Term Exposure:The substance defats the skin, which may cause dryness or cracking.
  • Physical properties Colorless liquid with a fruity odor. Odor threshold concentration in water is 4 ppm (CHRIS, 1994). Nagata and Takeuchi (1990) reported an odor threshold concentration of 71 ppbv.
  • Uses tert-Butyl acetate is common industrial solvent used in the making of lacquers, artificial leather, airplane dope, perfume, and as a food additive.
Technology Process of Tert-butyl acetate

There total 112 articles about Tert-butyl acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:
Guidance literature:
at 200 ℃; for 0.166667h; under 22502.3 Torr; Product distribution / selectivity;
Guidance literature:
With N-hydroxyphthalimide; oxygen; benzaldehyde; In 1,2-dichloro-ethane; at 40 ℃; for 18h;
DOI:10.1002/cctc.201801165
Guidance literature:
In dichloromethane; at 20 ℃; for 24h;
DOI:10.1002/hlca.200890014
Refernces

A NEW SYNTHESIS OF 3-AMINO-2-ALKENOATES

10.1016/S0040-4039(00)87168-3

The research presents a novel synthetic method for creating 3-amino-2-alkenoates, which are valuable intermediates for synthesizing various heterocycles like pyridines, pyrimidines, indoles, and isothiazoles. These compounds also exhibit anti-inflammatory properties in some N-aroyl derivatives. The study explores the use of magnesium enolates of t-butyl (or ethyl) acetate and t-butyl propionate, which react with nitriles to produce 3-amino-2-alkenoates with Z configuration. The researchers initially attempted using lithium enolate of t-butyl acetate but found it ineffective due to the instability of the primary adduct and the inability of the lithium ion to incorporate the nitrile group. Instead, they successfully employed magnesium enolate derived from diisopropylamine and ethylmagnesium bromide, achieving efficient yields of the desired compounds. The procedure was applicable to various nitriles, although those with relatively acidic o-hydrogen atoms resulted in lower yields. Protected acetaldehyde cyanohydrins also yielded good results. The products were characterized by GLC and 1H-NMR spectroscopy, confirming their structures and configurations.

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