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Substance Name: Ethyl 2-methyl-3-oxobutanoate
RN: 609-14-3
UNII: NE9WOZ20JE
InChIKey: FNENWZWNOPCZGK-UHFFFAOYSA-N

Molecular Formula

  • C7-H12-O3

Molecular Weight

  • 144.169
 
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Names and Synonyms

Name of Substance

  • Ethyl 2-methyl-3-oxobutanoate

Synonyms

  • AI3-05606
  • alpha-Methylacetoacetic ester
  • EINECS 210-179-9
  • Ethyl 2-acetylpropionate
  • Ethyl 2-methyl-3-oxobutanoate
  • Ethyl 2-methyl-3-oxobutyrate
  • Ethyl 2-methylacetoacetate
  • Ethyl alpha-acetylpropionate
  • Ethyl alpha-methylacetylacetate
  • Ethyl methylacetoacetate
  • NSC 1102
  • UNII-NE9WOZ20JE

Systematic Names

  • Acetoacetic acid, 2-methyl-, ethyl ester (8CI)
  • Butanoic acid, 2-methyl-3-oxo-, ethyl ester
  • Ethyl 2-methylacetoacetate

Registry Numbers

CAS Registry Number

  • 609-14-3

FDA UNII

  • NE9WOZ20JE

Other Registry Number

  • 64854-05-3

System Generated Number

  • 0000609143

Structure Descriptors

InChI

1S/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3

InChIKey

FNENWZWNOPCZGK-UHFFFAOYSA-N

Smiles

C([C@@H](C(=O)C)C)(=O)OCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 187 deg C   EXP
log P (octanol-water) 0.210 (none)   EST
Atmospheric OH Rate Constant 2.75E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.