beta-Ionone-5,6-epoxide

  • Identifiers

    CAS mumber
    23267-57-4

    Molecular formula
    C13H20O2

    SMILES
    CC(=O)/C=C/C12C(CCCC1(O2)C)(C)C

    Retention indicies (RI)

    • DB5: 1491.0
    • Carbowax: 1959.5

  • Properties

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

    Molecular weight
    208.3 g/mol

    Melting points

    • 48.5 - 49.5 °C

    Solubilities

    • Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • beta-Ionone epoxide
    • 23267-57-4
    • 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one
    • (E)-4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one
    • .beta.-Ionon-5,6-epoxide
    • (5R,6S)-5,6-Epoxy-7-megastigmen-9-one
    • .beta.-Ionone epoxide
    • beta-ionone 5,6-epoxide
    • Epoxy-.beta.-ionone
    • 5,6-Epoxy-.beta.-ionone
    • .beta.-Ionone-5,6-epoxide
    • .beta.-Ionone-5,6-epoxyde
    • 5,6-.beta.-Ionone epoxide
    • SCHEMBL1774698
    • CHEMBL3355912
    • SCHEMBL17627686
    • CHEBI:87546
    • CHEBI:208937
    • 7-Oxabicyclo[4.1.0]heptane, 3-buten-2-one deriv.
    • (e)-4-(2,2,6-trimethyl-7-oxa-bicyclo[4.1.0]heptan-1-yl)but-3-en-2-one
    • 4-(1',2'-epoxy-2',6',6'-trimethyl-2'-cyclohex-1'-yl)-3-buten-2-one
    • (3E)-4-{2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPTAN-1-YL}BUT-3-EN-2-ONE
1 3

Botanical

Name CAS Botanical Proportion
Lemon balm (Germany) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.5%
Anthoxanthum odoratum (Italy) 1b hay Anthoxanthum odoratum L., fam. Poaceae (Gramineae) 0.1%
Catharanthus roseus leaf Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.3%
Catharanthus roseus marcs Catharanthus roseus (L.) G. Don, fam. Apocynaceae 1.0%