2-Hydroxy-3,5,5-trimethyl-2-cyclohexene-1,4-dione

  • Identifiers

    CAS number
    35692-98-9

    Molecular formula
    C9H12O3

    SMILES
    CC1=C(C(=O)CC(C1=O)(C)C)O

  • Odor profile

    sweet 81.28%
    caramellic 74.24%
    burnt 53.2%
    tobacco 41.44%
    coffee 32.92%
    woody 32.08%
    phenolic 32.0%
    tea 30.68%
    hay 30.24%
    nutty 28.16%

    Scent© AI

  • Properties

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

    Molecular weight
    168.19 g/mol

  • Synonyms

    • 2-Cyclohexene-1,4-dione, 2-hydroxy-3,5,5-trimethyl-
    • 35692-98-9
    • 2-Hydroxy-4-oxoisophorone
    • 2-hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione
    • DTXSID40189207
    • 2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1,4-dione
    • 4-Hydroxy-1,1,3-trimethyl-3-cyclohexen-2,5-dione
    • 3,5,5-Trimethyl-2-hydroxy-2-cyclohexene-1,4-dione
    • SCHEMBL3154825
    • DTXCID30111698
    • NS00029900
    • 3,5,5-trimethyl-2-hydroxy-1,4-cyclohexadion-2-ene
    • 609-164-3
1 4

Botanical

Name CAS Botanical Proportion
Saffron 1 8022-19-3 Crocus sativus L., fam. Iridaceae 1.2%
Saffron 2 8022-19-3 Crocus sativus L., fam. Iridaceae 1.08%