3-Hydroxy-4-phenyl-2-butanone

  • Identifiers

    CAS number
    5355-63-5

    Molecular formula
    C10H12O2

    SMILES
    CC(=O)C(CC1=CC=CC=C1)O

  • Odor profile

    sweet 82.2%
    fruity 63.4%
    creamy 47.94%
    floral 44.96%
    caramellic 44.41%
    vanilla 42.3%
    balsamic 40.07%
    honey 38.43%
    spicy 36.7%
    almond 34.78%

    Scent© AI

  • Properties

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

    Molecular weight
    164.2 g/mol

    Solubilities

    • Soluble in non-polar solvents; insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 3-hydroxy-4-phenylbutan-2-one
    • 5355-63-5
    • 3-HYDROXY-4-PHENYL-2-BUTANONE
    • 2-Butanone, 3-hydroxy-4-phenyl-
    • 4-Phenyl-3-hydroxybutan-2-one
    • FEMA no. 4052
    • UNII-EP0R730B2H
    • EP0R730B2H
    • 3-Hydroxy-4-phenylbutan-2-one [FHFI]
    • 2-Butanone, 3-hydroxy-4-phenyl
    • DTXSID20968310
    • SCHEMBL105702
    • DTXCID10997578
    • CHEBI:180403
    • NS00124598
    • Q27277276
    • 611-012-6
1 4

Botanical

Name CAS Botanical Proportion
Mimusops elengi flower headspace Mimusops elengi L., fam. Sapotaceae 2.85%
Dendrobium beckleri flower headspace Dendrobium beckleri Sw., fam. Orchidaceae 1.1%