5,5-Dimethylcyclohex-2-ene-1,4-dione

  • Identifiers

    CAS number
    45731-99-5

    Molecular formula
    C8H10O2

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

  • Odor profile

    sweet 76.11%
    caramellic 68.65%
    burnt 52.34%
    tobacco 51.98%
    mint 41.5%
    nutty 41.39%
    woody 39.44%
    hay 38.93%
    coffee 35.01%
    roasted 34.84%

    Scent© AI

  • Properties

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

    Molecular weight
    138.16 g/mol

  • Synonyms

    • 5,5-dimethyl-2-cyclohexene-1,4-dione
    • 2,2-dimethylbenzoquinone
    • SCHEMBL3908567
    • UMZMJSKQALIZJH-UHFFFAOYSA-N
    • 5,5-dimethyl-cyclohex-2-ene-1,4-dione
1 4

Botanical

Name CAS Botanical Proportion
Saffron 2 8022-19-3 Crocus sativus L., fam. Iridaceae 0.2%