3-Methyl-4-octanone

  • Identifiers

    CAS number
    20809-46-5

    Molecular formula
    C9H18O

    SMILES
    CCCC(=O)CCC(C)C

    Retention indicies (RI)

    • Carbowax: 1968.0

  • Odor profile

    fruity 86.61%
    herbal 76.29%
    ketonic 47.68%
    sweet 44.04%
    mint 42.9%
    green 40.63%
    cheesy 40.41%
    oily 36.75%
    spicy 35.59%
    earthy 30.86%

    Scent© AI

  • Properties

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

    Molecular weight
    142.24 g/mol

  • Synonyms

    • 7-METHYL-4-OCTANONE
    • 7-methyloctan-4-one
    • 20809-46-5
    • 4-Octanone, 7-methyl-
    • FEV9GYV2W4
    • DTXSID20174919
    • ISOAMYL N-PROPYL KETONE
    • 7-methyl-octan-4-one
    • UNII-FEV9GYV2W4
    • SCHEMBL109486
    • DTXCID9097410
1 4

Botanical

Name CAS Botanical Proportion
Guava fruit headspace (Reunion island) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.3%