Chem
J-GLOBAL ID：200907066612799793   Nikkaji number：J80.222K

2-Isopropylacetoacetic acid ethyl ester

2-イソプロピ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： C9H16O3
Molecular formula furigana： C9-H16-O3
Molecular weight： 172.224
InChI： InChI=1S/C9H16O3/c1-5-12-9(11)8(6(2)3)7(4)10/h6,8H,5H2,1-4H3
InChI key： DMIFFKCVURTPTG-UHFFFAOYSA-N
SMILES： CCOC(=O)C(C(C)C)C(=O)C
Systematic name  (7)：
  • 2-アセチル-3-メチルブタン酸エチル
  • 2-アセチル-3-メチル酪酸エチル
  • 2-イソプロピルアセト酢酸エチル
  • 2-イソプロピル-3-オキソ酪酸エチル
  • 2-イソプロピル-3-オキソブタン酸エチル
Show all
Other name (5)：
  • 2-Acetyl-3-methylbutyric acid ethyl ester
  • 2-Acetyl-3-methylbutanoic acid ethyl ester
  • 2-Isopropylacetoacetic acid ethyl ester
  • 2-Isopropyl-3-oxobutyric acid ethyl ester
  • 2-Isopropyl-3-oxobutanoic acid ethyl ester
CAS registry number： 1522-46-9
Regulation number (3)：
  • EINECS2161926
  • TSCA(1522-46-9)
  • (2)-1505
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