3-Isopropenyl-6-oxoheptanoic acid

  • Identifiers

    CAS number
    4436-82-2

    Molecular formula
    C10H16O3

    SMILES
    CC(=C)C(CCC(=O)C)CC(=O)O

  • Odor profile

    fruity 51.73%
    woody 37.11%
    dry 35.17%
    sweet 31.32%
    floral 28.99%
    caramellic 27.15%
    spicy 26.86%
    citrus 26.22%
    herbal 25.19%
    fresh 24.33%

    Scent© AI

  • Properties

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

    Molecular weight
    184.23 g/mol

    Solubilities

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

  • Synonyms

    • 3-Isopropenyl-6-oxoheptanoic acid
    • 4436-82-2
    • FEMA No. 4461
    • Heptanoic acid, 3-isopropenyl-6-oxo-
    • limononic acid
    • 6-oxo-3-prop-1-en-2-ylheptanoic acid
    • (+/-)-3-Isopropenyl-6-oxoheptanoic acid
    • 6-oxo-3-(prop-1-en-2-yl)heptanoic acid
    • 3-Isopropenyl-6-oxoheptanoic acid, (+/-)-
    • Heptanoic acid, 3-(1-methylethenyl)-6-oxo-
    • 1NC781145Q
    • UNII-1NC781145Q
    • CHEBI:64264
    • SCHEMBL18339364
    • DTXSID00963207
    • AKOS006294503
    • Q27133171
1 4

Botanical

Name CAS Botanical Proportion
Spearmint, scotch (Japan) Mentha gracilis Sole, fam. Lamiaceae (Labiatae) 3.06%