alpha-Thujaplicin

  • Identifiers

    CAS number
    1946-74-3

    Molecular formula
    C10H12O2

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

    Retention indicies (RI)

    • DB5: 1403.5

  • Odor profile

    phenolic 74.05%
    spicy 58.7%
    woody 53.57%
    medicinal 48.74%
    sweet 46.51%
    smoky 45.76%
    burnt 41.44%
    herbal 37.35%
    leathery 31.48%
    caramellic 29.14%

    Scent© AI

  • Properties

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

    Molecular weight
    164.2 g/mol

  • Synonyms

    • alpha-Thujaplicin
    • 1946-74-3
    • 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-3-(1-methylethyl)-
    • 2-hydroxy-3-propan-2-ylcyclohepta-2,4,6-trien-1-one
    • 6TU33PGY8A
    • CHEMBL1275969
    • thujaplicin
    • .alpha.-Thujaplicin
    • 3-Isopropyltropolone
    • UNII-6TU33PGY8A
    • SCHEMBL355645
    • 2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one
    • DTXSID70173098
    • 2-HYDROXY-3-ISOPROPYLCYCLOHEPTA-2,4,6-TRIEN-1-ONE
    • BDBM50330793
    • AKOS025402371
    • AC-8489
    • 285992-14-5
    • DB-269411
    • 2-hydroxy-3-isopropyl-cyclohepta-2,4,6-trien-1-one
    • 2-hydroxy-3-(propan-2-yl)cyclohepta-2,4,6-trien-1-one
    • 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-7-(1-METHYLETHYL)-
    • 3IT
1 4

Botanical

Name CAS Botanical Proportion
Cedarleaf (Canada) 5 wood Thuja occidentalis L., fam. Taxodiaceae 1.25%