Chem
J-GLOBAL ID：200907067125333378   Nikkaji number：J24.539I

2-Butyryl-5-(2-ethylthiopropyl)-3-hydroxy-2-cyclohexen-1-one

2-ブチリル-5-(2-エチルチオプロピル)-3-ヒドロキシ-2-シクロヘキセン-1-オン
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： C15H24O3S
Molecular formula furigana： C15-H24-O3-S
Molecular weight： 284.410
InChI： InChI=1S/C15H24O3S/c1-4-6-12(16)15-13(17)8-11(9-14(15)18)7-10(3)19-5-2/h10-11,17H,4-9H2,1-3H3
InChI key： XMJMYDRELXEWGM-UHFFFAOYSA-N
SMILES： CCCC(=O)C1=C(O)CC(CC(C)SCC)CC1=O
Systematic name  (5)：
  • 2-ブチリル-5-[2-(エチルチオ)プロピル]-3-ヒドロキシ-2-シクロヘキセン-1-オン
  • 2-ブチリル-5-(2-エチルチオプロピル)-3-ヒドロキシ-2-シクロヘキセン-1-オン
  • 5-(2-エチルチオプロピル)-3-ヒドロキシ-2-(1-オキソブチル)-2-シクロヘキセン-1-オン
  • 2-ブタノイル-5-[2-(エチルスルファニル)プロピル]-3-ヒドロキシシクロヘキサ-2-エン-1-オン
  • 2-butanoyl-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one
Other name (3)：
  • 2-Butyryl-5-(2-ethylthiopropyl)-3-hydroxy-2-cyclohexen-1-one
  • 2-Butyryl-5-[2-(ethylthio)propyl]-3-hydroxy-2-cyclohexen-1-one
  • 5-(2-Ethylthiopropyl)-3-hydroxy-2-(1-oxobutyl)-2-cyclohexene-1-one
CAS registry number： 79419-43-5
Regulation number (2)：
  • (3)-3717
  • 3-(4)-346
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