4-Octen-3-one

  • Identifiers

    CAS number
    14129-48-7

    Molecular formula
    C8H14O

    SMILES
    CCCC=CC(=O)CC

  • Odor profile

    fruity 86.65%
    herbal 66.58%
    green 64.46%
    ketonic 61.48%
    cheesy 56.17%
    earthy 53.78%
    sweet 51.26%
    fatty 50.75%
    mushroom 49.1%
    fresh 48.66%

    Scent© AI

  • Properties

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

    Molecular weight
    126.2 g/mol

    Solubilities

    • Sparingly soluble in water; soluble in many non-polar solvents
    • Soluble (in ethanol)

  • Synonyms

    • Oct-4-en-3-one
    • 4-Octen-3-one
    • 14129-48-7
    • UNII-5Q55OU7FEN
    • 5Q55OU7FEN
    • DTXSID1065712
    • (E)-oct-4-en-3-one
    • methylheptenon
    • Oct4en3one
    • DTXCID8034588
    • FEMA NO. 4328
    • 4-OCTEN-3-ONE [FHFI]
    • CHEBI:177003
    • (E,Z)-4-OCTEN-3-ONE
1 4

Botanical

Name CAS Botanical Proportion
Salvia pratensis (Italy) Salvia pratensis L. ssp. haematodes (L.) Briq., fam. Lamiaceae (Labiatae) 1.1%
Lemon balm (Slovak Republic) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.18%