Isoleptospermone

  • Identifiers

    CAS number
    567-75-9

    Molecular formula
    C15H22O4

    SMILES
    CC(C)CC(=O)C1C(=O)C(C(=O)C(C1=O)(C)C)(C)C

    Retention indicies (RI)

    • Carbowax: 2049.0

  • Odor profile

    fruity 43.76%
    caramellic 38.48%
    mint 38.24%
    herbal 33.41%
    tobacco 31.98%
    woody 29.69%
    sweet 28.88%
    burnt 28.63%
    camphoreous 27.0%
    ketonic 24.84%

    Scent© AI

  • Properties

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

    Molecular weight
    266.33 g/mol

  • Synonyms

    • Leptospermone
    • 567-75-9
    • 2,2,4,4-tetramethyl-6-(3-methylbutanoyl)cyclohexane-1,3,5-trione
    • UNII-2F8XBE046L
    • 2F8XBE046L
    • 1,3,5-Cyclohexanetrione, 6-isovaleryl-2,2,4,4-tetramethyl-
    • (+/-)-LEPTOSPERMONE
    • CHEMBL4090482
    • DTXSID80205258
    • LEPTOSPERMONE, (+/-)-
    • 2,2,4,4-tetramethyl-6-(3-methylbutanoyl)-1,3,5-cyclohexanetrione
    • 2,2,4,4-tetramethyl-6-(3-methyl-1-oxobutyl)-1,3,5-cyclohexanetrione
    • 1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl-6-(3-methyl-1-oxobutyl)-
    • LEPTOSPERMONE [INCI]
    • SCHEMBL1573209
    • DTXCID80127749
    • BDBM50264348
    • AKOS040752492
    • AT44531
    • DB-148618
    • HY-114991
    • CS-0064741
    • NS00126863
    • Q6528372
1 4

Botanical

Name CAS Botanical Proportion
Manuka (New Zealand) 2 Leptospermum scoparium J.R. et G. Forst., fam. Myrtaceae 4.0%
Manuka (New Zealand) 1 Leptospermum scoparium J.R. et F. Forst., fam. Myrtaceae 4.62%
Manuka (New Zealand) 3 Leptospermum scoparium J.R. et G. Forst., fam. Myrtaceae 2.6%