Octan-4-one

  • Identifiers

    CAS number
    589-63-9

    Molecular formula
    C8H16O

    SMILES
    CCCCC(=O)CCC
    O

    Safety labels

    Flammable
    Flammable

  • Odor profile

    fruity 89.55%
    green 79.15%
    herbal 68.22%
    sweet 60.1%
    cheesy 55.05%
    ketonic 48.16%
    earthy 43.98%
    oily 38.57%
    musty 38.05%
    spicy 36.84%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1 Well soluble in IAA, DEP, MMB

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • 2.082 hPa @ 20°C
    • 2.9206 hPa @ 25°C

    Evaporation rate
    Very fast

  • Synonyms

    • 4-OCTANONE
    • Octan-4-one
    • 589-63-9
    • Butyl propyl ketone
    • Propyl n-butyl ketone
    • EINECS 209-655-9
    • DTXSID40207637
    • NSC 43245
    • Octan4one
    • nButylnpropylketone
NaN -Infinity

Botanical

Name CAS Botanical Proportion
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.39%