dihydro-Nepetalactone (unknown isomer)

  • Identifiers

    CAS number
    4581-72-0

    Molecular formula
    C10H16O2

    SMILES
    C[C@H]1CC[C@H]2[C@@H]1C(=O)OC[C@H]2C

    Retention indicies (RI)

    • Carbowax: 1992.0

  • Odor profile

    woody 55.99%
    herbal 51.15%
    spicy 48.79%
    mint 47.31%
    lactonic 35.26%
    coumarinic 32.77%
    coconut 32.52%
    tobacco 31.91%
    celery 30.35%
    sweet 30.19%

    Scent© AI

  • Properties

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

    Molecular weight
    168.23 g/mol

  • Synonyms

    • rel-(4R,4aS,7R,7aS)-Hexahydro-4,7-dimethylcyclopenta[c]pyran-1(3H)-one
    • 4581-72-0
    • rel-(4R,4aS,7R,7aS)-Hexahydro-4,7-dimethylcyclopenta(c)pyran-1(3H)-one
    • (4S,4aR,7S,7aR)-4,7-dimethyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta(c)pyran-1-one
    • (4S,4aR,7S,7aR)-4,7-dimethyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one
    • SCHEMBL3201067
    • DTXSID301153380
1 4

Botanical

Name CAS Botanical Proportion
Nepeta cataria (Argentina) 84929-35-1 Nepeta cataria L., fam. Lamiaceae (Labiatae) 3.43%