Chem
J-GLOBAL ID：200907077001128623   Nikkaji number：J33.670J

2-Phenylacetoacetic acid ethyl ester

2-フェニルアセト酢酸エチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C12H14O3
Molecular formula furigana： C12-H14-O3
Molecular weight： 206.241
InChI： InChI=1S/C12H14O3/c1-3-15-12(14)11(9(2)13)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3
InChI key： PWRUKIPYVGHRFL-UHFFFAOYSA-N
SMILES： CCOC(=O)C(C(=O)C)c1ccccc1
Systematic name  (7)：
  • α-アセチルベンゼン酢酸エチル
  • 2-フェニル-3-オキソ酪酸エチル
  • 2-フェニルアセト酢酸エチル
  • 2-フェニル-3-オキソブタン酸エチル
  • 3-オキソ-2-フェニルブタン酸エチル
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Other name (4)：
  • 2-Phenyl-3-oxobutyric acid ethyl ester
  • 2-Phenylacetoacetic acid ethyl ester
  • 2-Phenyl-3-oxobutanoic acid ethyl ester
  • 3-Oxo-2-phenylbutanoic acid ethyl ester
CAS registry number： 5413-05-8
Regulation number (1)：
  • EINECS2265000
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