3,5,5-Trimethyl-3-cyclohexen-1-one

  • Identifiers

    CAS number
    471-01-2

    Molecular formula
    C9H14O

    SMILES
    CC1=CC(CC(=O)C1)(C)C

    Retention indicies (RI)

    • Carbowax: 1420.0

  • Odor profile

    woody 66.96%
    mint 61.13%
    sweet 57.78%
    green 56.88%
    tobacco 55.48%
    herbal 54.93%
    camphoreous 52.77%
    fruity 44.76%
    spicy 42.11%
    citrus 39.35%

    Scent© AI

  • Properties

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

    Molecular weight
    138.21 g/mol

  • Synonyms

    • beta-Isophorone
    • 3,5,5-Trimethylcyclohex-3-en-1-one
    • 471-01-2
    • beta-Phorone
    • 3,5,5-TRIMETHYL-3-CYCLOHEXEN-1-ONE
    • .beta.-Isophorone
    • 3-Cyclohexen-1-one, 3,5,5-trimethyl-
    • b-Isophorone
    • b-Phorone
    • Crocusatin E
    • .beta-Isophorone
    • .beta.-Phorone
    • EINECS 207-434-1
    • UNII-R817UQW62V
    • R817UQW62V
    • AI3-33979
    • DTXSID90197034
    • EC 207-434-1
    • 3,5,5-Trimethylcyclohex-3-enone
    • 3,5,5-Trimethyl-3-cyclohexene-1-one
    • beta -phorone
    • beta -isophorone
    • 3,3,5-Trimethyl-cyclohex-4-en-1-one
    • SCHEMBL4359239
    • DTXCID00119525
    • CHEBI:193728
    • A1H13
    • AKOS006277685
    • 3,5,5-trimethylcyclohexa-3-en-1-one
    • 3,5,5-Trimethyl-3-cyclohexen-1-one #
    • NS00003022
    • Q27287939
1 4

Botanical

Name CAS Botanical Proportion
Saffron 2 8022-19-3 Crocus sativus L., fam. Iridaceae 0.32%
Fitweed leaf Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 0.09%
Fitweed root Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 0.35%
Eucalyptus camaldulensis (Nigeria) 2 Eucalyptus camaldulensis Dehn., var. mysore, fam. Myrtaceae 0.5%