neo-Thujanol-3

  • Identifiers

    CAS number
    7712-79-0

    Molecular formula
    C10H18O

    SMILES
    C[C@H]1[C@H]2C[C@]2(C[C@@H]1O)C(C)C

    Retention indicies (RI)

    • DB5: 1147.5

  • Odor profile

    spicy 63.41%
    woody 61.04%
    mint 60.7%
    herbal 59.13%
    cooling 47.54%
    camphoreous 46.53%
    earthy 41.06%
    balsamic 37.27%
    pine 34.72%
    fresh 32.88%

    Scent© AI

  • Properties

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

    Molecular weight
    154.25 g/mol

    Solubilities

    • Practically insoluble to insoluble in water; soluble in non-polar solvents
    • Soluble (in ethanol)

  • Synonyms

    • Thujol
    • Thujyl alcohol
    • 3-Thujol
    • Neo iso-3-Thujol
    • 7712-79-0
    • DTXSID50486714
    • DZVXRFMREAADPP-JXUBOQSCSA-N
    • C20261
1 4

Botanical

Name CAS Botanical Proportion
Artemisia moorcroftiana Artemisia moorcroftiana, fam. Asteraceae (Compositae) 0.26%