beta-Humulene

  • Identifiers

    CAS mumber
    116-04-1

    Molecular formula
    C15H24

    SMILES
    C/C/1=C\CC(/C=C/CC(=C)CCC1)(C)C

    Retention indicies (RI)

    • DB5: 1440.0

  • Properties

    XLogP3-AA
    4.8 Well soluble in BB, DEP, IPM

    Molecular weight
    204.35 g/mol

  • Synonyms

    • beta-Humulene
    • .beta.-Humulene
    • 116-04-1
    • (E,E)-1,4,4-Trimethyl-8-methylene-1,5-cycloundecadiene
    • (4E,8E)-beta-humulene
    • UNII-KK0W1K5Z3S
    • KK0W1K5Z3S
    • (1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene
    • 1,5-Cycloundecadiene, 1,4,4-trimethyl-8-methylene-, (1E,5E)-
    • (1E,5E)-1,4,4-trimethyl-8-methylenecycloundeca-1,5-diene
    • 1,5-Cycloundecadiene, 1,4,4-trimethyl-8-methylene-, (E,E)-
    • (1E,5E)-1,4,4-trimethyl-8-methylidenecycloundeca-1,5-diene (4E,8E)-humula-4,8,11-triene
    • beta -Humulene
    • .BETA.-HUMULENE [MI]
    • CHEBI:49312
    • HAVYZKHVTLAPDZ-PPGMXFKZSA-N
    • DTXSID101019015
    • (4E,8E)-humula-4,8,11-triene
    • LMPR0103110005
    • beta-Humulene, technical, >=90% (GC)
    • 1,4,4-Trimethyl-8-methylene-1,5-cycloundecadiene #
    • Q27121617
1 3

Botanical

Name CAS Botanical Proportion
Pimento (Allspice) 1 8006-77-7 Pimenta dioica (L.) Merr. (P. officinalis Lindl.), fam. Myrtaceae 0.1%
Minthostachys spicata Minthostachys spicata (Benth.) Epl., fam Lamiaceae (Labiatae) 1.1%
Aristolochia impudica leaf Aristolochia impudica J. Ortega, fam. Aristolochiaceae 0.02%
Amorpha fruticosa fruit Amorpha fruticosa L., fam. Papilionaceae 0.9%
Baccharis uncinella (Brazil) Baccharis uncinella DC., fam. Asteraceae (Compositae) 0.1%
Coespeletia thyrsiformis leaf (Venezuela) Coespeletia thyrsiformis (A.C. Smith) Cuatr., fam. Asteraceae 1.3%