3,3,5-Trimethylcyclohexanone

  • Identifiers

    CAS number
    873-94-9

    Molecular formula
    C9H16O

    SMILES
    CC1CC(=O)CC(C1)(C)C

    Retention indicies (RI)

    • Carbowax: 1342.0

  • Odor profile

    herbal 75.45%
    mint 72.18%
    camphoreous 64.66%
    sweet 64.57%
    citrus 53.2%
    cooling 51.72%
    tobacco 50.59%
    woody 49.92%
    fresh 47.29%
    green 43.31%

    Scent© AI

  • Properties

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

    Molecular weight
    140.22 g/mol

  • Synonyms

    • 3,3,5-TRIMETHYLCYCLOHEXANONE
    • 873-94-9
    • 3,3,5-Trimethylcyclohexan-1-one
    • Dihydroisophorone
    • Cyclohexanone, 3,3,5-trimethyl-
    • EINECS 212-855-9
    • UNII-QXG9U7N202
    • QXG9U7N202
    • DTXSID5044996
    • AI3-33978
    • MFCD00019466
    • DTXCID3024996
    • (+/-)-DIHYDROISOPHORONE
    • EC 212-855-9
    • J68.885A
    • 3,3,5-TRIMETHYL-1-CYCLOHEXANONE
    • (+/-)-3,3,5-TRIMETHYLCYCLOHEXANONE
    • Dihydro-isophorone
    • 3,5,5-trimethyl cyclohexanone
    • 3,5,5-Trimethylcyclohexanone
    • 3,3,5-Trimethyl cyclohexanone
    • (+/-)-Dihydroisophorone; 3,3,5-Trimethyl-1-cyclohexanone; Dihydroisophorone
    • SCHEMBL24862
    • 3,3,5Trimethylcyclohexan1one
    • 3.3.5-Trimethyl cyclohexanone
    • Cyclohexanone, 3,3,5trimethyl
    • CHEMBL3186483
    • cyclohexanone, 3,3,5-trimethyl
    • 3,3,5-trimethyl-cyclohexan-1-one
    • AAA87394
    • IBA49682
    • Tox21_301727
    • BBL011400
    • STL146504
    • 3,3,5-Trimethylcyclohexanone, 98%
    • AKOS000119271
    • AKOS016844138
    • AT10301
    • PB43658
    • NCGC00256179-01
    • CAS-873-94-9
    • SY051924
    • VS-02938
    • DB-056998
    • NS00008433
    • T0602
    • EN300-19037
    • Q27287551
    • F0001-2174
    • Z104472308
1 4

Botanical

Name CAS Botanical Proportion
Santolina chamaecyparisus (France) 2 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.5%