Butanoic acid,2,2-dimethyl-3-oxo-, ethyl ester

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Names

[ CAS No. ]:
597-04-6

[ Name ]:
Butanoic acid,2,2-dimethyl-3-oxo-, ethyl ester

[Synonym ]:
2,2-dimethyl-acetoacetic acid ethyl ester
ethyl-2,2-dimethyl-3-oxobutanone
2,2-Dimethyl-acetessigsaeure-aethylester
2,2-DIMETHYL-3-OXO-BUTYRIC ACID ETHYL ESTER
ethyl 2,2-dimethylacetoacetate
ethyl 2,2-dimethyl-3-oxobutyrate
Butanoic acid,2,2-dimethyl-3-oxo-,ethyl ester

Chemical & Physical Properties

[ Density]:
0.976g/cm3

[ Boiling Point ]:
262.9ºC at 760mmHg

[ Molecular Formula ]:
C8H14O3

[ Molecular Weight ]:
158.19500

[ Flash Point ]:
113.7ºC

[ Exact Mass ]:
158.09400

[ PSA ]:
43.37000

[ LogP ]:
1.16470

[ Index of Refraction ]:
1.42

Safety Information

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
22-36/37/38

[ Safety Phrases ]:
22-26-36/37/39

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl 2-methylacetoacetate
  • methyl iodide
  • Ethyl acetoacetate
  • ethyl 2-(bromomethyl)-2-methyl-3-oxobutanoate
  • Methyl bromide
  • Ethyl 2-bromoisobutyrate
  • methyl 2-(iodomethyl)-2-methyl-3-oxobutanoate
  • Acetyl chloride
  • Ethyl isobutyrate
  • Dichloromethane

DownStream

  • 2,3-DIMETHYL-5-HEXEN-3-OL
  • 3-Methyl-2-butanone
  • Ethanol
  • Carbon dioxide
  • ((1-ETHOXY-2-METHYLPROP-1-EN-1-YL)OXY)TRIMETHYLSILANE
  • 2,2-dimethyl-3,5-dioxo-hexanoic acid ethyl ester
  • Ethyl isobutyrate
  • 3-chloro-2,2-dimethylbut-3-enoic acid
  • 2,2-Dimethyl-3-butynoic acid
  • ethyl acetate

Related Compounds

  • ethyl 4-(4-chlorophenoxy)-2,2-dimethyl-3-oxobutanoate
  • ethyl 4-(dimethylamino)-2,2-dimethyl-3-oxobutanoate
  • ethyl 2,2-dimethyl-3-oxopentanoate
  • Ethyl 2-{[(1S)-1-phenylethyl]amino}-1-cyclopentene-1-carboxylate
  • ethyl 2,2-dimethyl-3-oxopent-4-enoate
  • ethyl 2,2-dimethyl-3-oxopropanoate