Megastigmatrienone

  • Identifiers

    CAS mumber
    13215-88-8

    Molecular formula
    C13H18O

    SMILES
    C/C=C/C=C\1/C(=CC(=O)CC1(C)C)C

  • Properties

    XLogP3-AA
    2.6 Well soluble in DEP, BB, MMB

    Molecular weight
    190.28 g/mol

    Solubilities

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Tabanone
    • 13215-88-8
    • Megastigmatrienone D
    • MEGASTIGMATRIENONE 4
    • 9XFN7T7VV5
    • 2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5-trimethyl-, (E,E)-
    • DTXSID701045121
    • FEMA NO. 4663, (2E,4E)-
    • 5164-78-3
    • 3,5,5-Trimethyl-4-butenylidene-2-cyclohexen-1-one
    • EINECS 225-943-7
    • 2-CYCLOHEXEN-1-ONE, 4-(2E)-2-BUTEN-1-YLIDENE-3,5,5-TRIMETHYL-, (4E)-
    • 2-CYCLOHEXEN-1-ONE, 4-(2E)-2-BUTENYLIDENE-3,5,5-TRIMETHYL-, (4E)-
    • MFCD09751414
    • SCHEMBL756992
    • DTXCID90909311
    • (4E)-4-[(2E)-BUT-2-EN-1-YLIDENE]-3,5,5-TRIMETHYLCYCLOHEX-2-EN-1-ONE
    • Megastigmatrienone (mixed isomers)
    • AKOS006327931
    • s11013
    • (6Z,8E)-4,6,8-megastigmatrien-3-one
    • FT167655
    • HY-133185
    • Q27273350
1 3

Botanical

Name CAS Botanical Proportion
Catharanthus roseus leaf Catharanthus roseus (L.) G. Don, fam. Apocynaceae 0.2%
Tobacco, Yaka 8037-19-2 Nicotiana tabacum L., fam. Solanaceae 0.4%