4-oxo-beta-Ionone

  • Identifiers

    CAS number
    93527

    Molecular formula
    C13H18O2

    SMILES
    CC1=C(C(CCC1=O)(C)C)/C=C/C(=O)C

  • Odor profile

    woody 76.49%
    floral 60.54%
    fruity 60.09%
    berry 46.06%
    tobacco 45.7%
    sweet 44.68%
    dry 44.0%
    caramellic 42.46%
    raspberry 42.2%
    orris 40.34%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8 Well soluble in DEP, MMB, TEC

    Molecular weight
    206.28 g/mol

  • Synonyms

    • 4-Oxo-beta-ionone
    • 29790-29-2
    • 4-Oxo-b-ionone
    • 2,4,4-Trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one
    • (E)-2,4,4-Trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one
    • 27185-77-9
    • 2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
    • EINECS 248-307-0
    • 3-Oxo-b-ionone
    • EINECS 249-851-1
    • 3-Oxo-.beta.-ionone
    • 3-Keto-.beta.-ionone
    • (E)-3-oxo-beta-ionone
    • SCHEMBL8390312
    • CHEBI:211741
    • 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-
    • DTXSID701017762
    • NS00085207
    • Q67879619
    • 2,4,4-Trimethyl-3-(3-oxo-1-butenyl)-2-cyclohexen-1-one
    • (E)-2,4,4-Trimethyl-3-(3-oxobut-1-en-1-yl)cyclohex-2-en-1-one
    • 2,4,4-Trimethyl-3-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-one
    • 2,4,4-trimethyl-3-[(E)-3-oxo-but-1-enyl]-cyclohex-2-en-1-one
    • 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-buten-1-yl)-
1 4

Botanical

Name CAS Botanical Proportion
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.4%