• Identifiers

    CAS number
    75935-84-1

    Molecular formula
    C13H16O

    SMILES
    CC(C)C/C=C(/C=O)\C1=CC=CC=C1
    O

  • Odor profile

    green 71.44%
    fruity 62.66%
    sweet 61.25%
    floral 54.16%
    cocoa 40.17%
    herbal 39.03%
    aldehydic 38.64%
    nutty 36.25%
    chocolate 34.0%
    powdery 33.69%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4 Well soluble in BB, DEP, IAA

    Molecular weight
    188.26 g/mol

    Solubilities

    • Soluble in oils; Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 5-Methyl-2-phenyl-2-hexenal
    • 21834-92-4
    • 5-Methyl-2-phenylhex-2-enal
    • Cocal
    • (E)-5-methyl-2-phenylhex-2-enal
    • Fema No. 3199, E-
    • (2E)-5-methyl-2-phenylhex-2-enal
    • (E)-5-Methyl-2-phenyl-hex-2-enal
    • cocoa hexenal
    • 2-phenyl-5-methyl-2-hexenal
NaN of -Infinity
Name CAS Botanical Proportion
Chicory root, roasted 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.06%
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.15%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.1%