• Identifiers

    CAS number
    585-25-1

    Molecular formula
    C8H14O2

    SMILES
    CCCCCC(=O)C(=O)C

  • Odor profile

    sweet 78.6%
    fatty 75.27%
    cheesy 65.52%
    creamy 63.28%
    buttery 62.66%
    caramellic 56.76%
    fruity 55.98%
    oily 52.87%
    dairy 48.36%
    herbal 48.3%

    Scent© AI

  • Properties

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

    Molecular weight
    142.2 g/mol

    Boiling points

    • 169.00 to 170.00 °C. @ 760.00 mm Hg

    Solubilities

    • Soluble in non-polar solvents
    • Soluble (in ethanol)

  • Synonyms

    • Octane-2,3-dione
    • 2,3-OCTANEDIONE
    • 585-25-1
    • 2,3-Octandione
    • 2,3-Dioxooctane
    • UNII-267Z8UAR9Q
    • 2,3-octadione
    • 267Z8UAR9Q
    • Methyl pentyl diketone
    • NSC-7642
    • EINECS 209-552-9
    • FEMA NO. 4060
    • 2,3-OCTANEDIONE [FHFI]
    • DTXSID60207215
    • NSC 7642
    • Octanedione
    • 2,3-octandion
    • 2,3-octane dione
    • NSC7642
    • SCHEMBL146633
    • CHEBI:89053
    • DTXCID60129706
    • AKOS006292900
    • BS-52954
    • NS00042570
    • F72021
    • Q27161226
1 of 4
Name CAS Botanical Proportion
Lemon balm (Slovak Republic) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.01%