Caryophyllene (unknown isomer)

  • Identifiers

    CAS mumber
    13877-93-5

    Molecular formula
    C15H24

    SMILES
    C/C/1=C/CCC(=C)C2CC(C2CC1)(C)C

    Retention indicies (RI)

    • DB5: 1430.0
    • Carbowax: 1595.0

  • Properties

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

    Molecular weight
    204.35 g/mol

    Boiling points

    • 264 to 266 °F at 14 mmHg (NTP, 1992)

    Flash points

    • 214 °F (NTP, 1992)

    Solubilities

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • Insoluble in water; soluble in oils, ether
    • Soluble (in ethanol)

  • Synonyms

    • Caryophyllene
    • B-Caryophyllene Fcc
    • (4Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
    • 13877-93-5
    • 54061-81-3
    • 87-44-5
    • (Z)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
    • .gamma.-Caryophyllene
    • Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R*,4Z,9S*)]-
    • Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-
    • .beta.-cis-Caryophyllene
    • NSC11906
    • Cis-.beta.-caryophyllene
    • 4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undec-4-ene
    • 4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
    • 4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene #
    • Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)-
    • Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]-
    • BBL001767
    • STK017347
    • AKOS005378035
    • VS-00870
    • 4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene
    • (5Z)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undec-5-ene
    • CIS-4,11,11-TRIMETHYL-8-METHYLENE-BICYCLO(7.2.0)UNDECA-4-ENE
1 3

Botanical

Name CAS Botanical Proportion
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Galangal root (Malaysia) 8023-91-4 Alpinia galanga (L.) Willd., fam. Zingiberaceae 0.9%
Angelica root (Finland) 4 8015-64-3 Angelica archangelica L. var. archangelica, fam. Apiaceae (Umbelliferae) 1.65%
Angelica root (Finland) 3 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 1.45%
Eucalyptus citriodora (China) 2 8000-48-4 Eucalyptus citriodora Hook. f., fam. Myrtaceae 0.27%
Terminalia bentzoe Terminalia bentzoe (L.) L.f.ssp.rodriguesensis Wickens, fam. Combretaceae 0.35%
Lemon flower headspace (clone SG) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.4%
Lemon flower headspace (clone ZH) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.3%