4-Hydroxy-2,6,6-trimethyl-3-oxo-1,4-cyclohexadienecarbaldehyde

  • Identifiers

    Molecular formula
    C10H12O3

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

  • Odor profile

    sweet 74.54%
    caramellic 65.9%
    burnt 45.13%
    tobacco 36.99%
    mint 34.34%
    woody 33.57%
    spicy 30.28%
    tea 28.9%
    nutty 28.86%
    roasted 28.64%

    Scent© AI

  • Properties

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

    Molecular weight
    180.2 g/mol

    Melting points

    • 107 - 108 °C

  • Synonyms

    • 4-Hydroxy-2,6,6-trimethyl-3-oxo-1,4-cyclohexadiene-1-carboxaldehyde
    • 35692-95-6
    • 4-hydroxy-2,6,6-trimethyl-3-oxocyclohexa-1,4-diene-1-carbaldehyde
    • 2,4,4-Trimethyl-3-formyl-6-hydroxy-2,5-cyclohexadien-1-one
    • CHEBI:169848
    • COUDKMJLVVETJL-UHFFFAOYSA-N
    • DTXSID701163088
    • 4-Hydroxy-2,6,6-trimethyl-3-oxocyclohexa-1,4-dienecarbaldehyde
    • 1,4-Cyclohexadiene-1-carboxaldehyde, 4-hydroxy-2,6,6-trimethyl-3-oxo-
    • 4-Hydroxy-2,6,6-trimethyl-3-oxocyclohexa-1,4-diene-1-carboxaldehyde
1 4

Botanical

Name CAS Botanical Proportion
Saffron 1 8022-19-3 Crocus sativus L., fam. Iridaceae 6.0%