beta-Methallyl isobutyrate

  • Identifiers

    CAS number
    816-73-9

    Molecular formula
    C8H14O2

    SMILES
    CC(C)C(=O)OCC(=C)C

  • Odor profile

    fruity 95.57%
    sweet 61.35%
    ethereal 60.45%
    apple 51.61%
    pineapple 47.46%
    tropical 44.36%
    rummy 41.8%
    banana 37.92%
    pungent 37.75%
    fresh 36.8%

    Scent© AI

  • Properties

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

    Molecular weight
    142.2 g/mol

  • Synonyms

    • 2-Methylallyl isobutyrate
    • 816-73-9
    • 2-methylprop-2-enyl 2-methylpropanoate
    • Isobutyric acid, 2-methylallyl ester
    • Propanoic acid, 2-methyl-, 2-methyl-2-propenyl ester
    • EINECS 212-437-6
    • DTXSID1061158
    • Propanoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester
    • Methallylisobutyrat
    • SCHEMBL2608303
    • DTXCID9048227
    • DB-251600
    • NS00038146
    • 212-437-6
1 4

Botanical

Name CAS Botanical Proportion
Roman chamomile (Japan) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.34%
Roman chamomile (Germany) 1a hydrodistillate 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.88%