Chem
J-GLOBAL ID：200907010920207621   Nikkaji number：J4.392C

β-Ionone

β-イオノン
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： C13H20O
Molecular formula furigana： C13-H20-O
Molecular weight： 192.302
InChI： InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
InChI key： PSQYTAPXSHCGMF-BQYQJAHWSA-N
SMILES： CC(=O)/C=C/C1=C(C)CCCC1(C)C
Systematic name  (10)：
  • (3E)-4-(2,6,6-トリメチル-1-シクロヘキセニル)-3-ブテン-2-オン
  • (E)-1-(2,6,6-トリメチル-1-シクロヘキセン-1-イル)-1-ブテン-3-オン
  • (E)-4-(2,6,6-トリメチル-1-シクロヘキセニル)-3-ブテン-2-オン
  • (E)-4-(2,6,6-トリメチルシクロヘキセン-1-イル)-3-ブテン-2-オン
  • (E)-4-(2,6,6-トリメチル-1-シクロヘキセン-1-イル)-3-ブテン-2-オン
Show all
Other name (13)：
  • β-ヨノン
  • β-イオノン
  • β-Ionone
  • (E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
  • β-Jonone
Show all
CAS registry number： 79-77-6
Regulation number (3)：
  • (3)-2387
  • EINECS2012243
  • TSCA(79-77-6)
KEGG COMPOUND： C12287
Application (2)：
synthetic perfume ,  smell substance
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