beta-Isomethylionone (tent.)

  • Identifiers

    CAS mumber
    79-89-0

    Molecular formula
    C14H22O

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

  • Properties

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

    Molecular weight
    206.32 g/mol

    Solubilities

    • Practically insoluble to insoluble
    • Soluble (in ethanol)

  • Synonyms

    • 79-89-0
    • 3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
    • 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
    • DTXSID0052544
    • 3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
    • Isomethyl-?-ionone
    • DTXCID7031117
    • NSSHGPBKKVJJMM-UHFFFAOYSA-N
    • AAA07989
    • NS00012706
    • NS00075619
    • 4-(2,6,6-trimethylcyclohex-1-en-1-yl)-3-methylbut-3-en-2-one
1 3

Botanical

Name CAS Botanical Proportion
Boldo leaf Boldea fragrans Juss. (Peumus boldus Mol.) 0.05%