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Substance Name: Butanoic acid, 2-ethyl-3-oxo-, ethyl ester
RN: 607-97-6
InChIKey: OKANYBNORCUPKZ-UHFFFAOYSA-N

Molecular Formula

  • C8-H14-O3

Molecular Weight

  • 158.196
 
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Names and Synonyms

Synonyms

  • AI3-06006
  • EINECS 210-151-6
  • Ethyl 2-acetylbutyrate
  • Ethyl 2-ethyl-3-ketobutyrate
  • Ethyl 2-ethylacetoacetate
  • Ethyl alpha-acetylbutyrate
  • Ethyl alpha-ethylacetoacetate
  • NSC 53775

Systematic Names

  • Acetoacetic acid, 2-ethyl-, ethyl ester
  • Butanoic acid, 2-ethyl-3-oxo-, ethyl ester
  • Ethyl 2-ethylacetoacetate

Registry Numbers

CAS Registry Number

  • 607-97-6

Other Registry Number

  • 105139-93-3

System Generated Number

  • 0000607976

Structure Descriptors

InChI

InChI=1S/C8H14O3/c1-4-7(6(3)9)8(10)11-5-2/h7H,4-5H2,1-3H3

InChIKey

OKANYBNORCUPKZ-UHFFFAOYSA-N

Smiles

CCOC(=O)C(CC)C(=O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 198 deg C   EXP
log P (octanol-water) 0.710 (none)   EST
Atmospheric OH Rate Constant 6.13E-12 cm3/molecule-sec 25 EST

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