cis-Caryophyllene

  • Identifiers

    CAS number
    118-65-0

    Molecular formula
    C15H24

    SMILES
    C/C/1=C/CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C

    Retention indicies (RI)

    • DB5: 1406.25
    • Carbowax: 1589.0

  • Odor profile

    woody 81.1%
    sweet 60.34%
    spicy 53.77%
    dry 45.55%
    citrus 43.88%
    terpenic 43.38%
    herbal 41.75%
    fresh 41.02%
    green 39.71%
    pine 38.36%

    Scent© AI

  • 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

    • Isocaryophyllene
    • 118-65-0
    • (-)-ISOCARYOPHYLLENE
    • Caryophyllene
    • Cis-caryophyllene
    • gamma-caryophyllene
    • NRY8I0KNIR
    • UNII-NRY8I0KNIR
    • Isocaryophyllene (80per cent)
    • 87-44-5
    • (1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
    • EINECS 204-267-6
    • CHEBI:5993
    • beta-Caryophyllen
    • DTXSID10881246
    • CARYOPHYLLENE ISOCARYOPHYLLENE
    • Isocaryophyllene (80%)
    • (1R-(1R*,4Z,9S*))-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,4Z,9S)-
    • g-Caryophyllene
    • E-Caryophyllene
    • EINECS 201-746-1
    • (1R,9S,E)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
    • .gamma.-Caryophyllene
    • (-)-E-Caryophyllene
    • AI3-36121
    • .beta.-cis-Caryophyllene
    • Caryophyllene (VAN)
    • UNII-BHW853AU9H
    • CCRIS 8094
    • 2-Methylene-6,10,10-trimethylbicyclo(7.2.0)undec-5-ene
    • beta-Caryophyllene (natural)
    • -Caryophyllene
    • ss-Caryophyllene
    • Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R,4E,9S)-
    • 4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undec-4-ene, (1R-(1R*,4E,9S))-
    • Bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1R-(1R*,4E,9S*))-
    • 4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene #
    • CHEMBL448700
    • DTXCID401474828
    • (-)-Caryophyllene sum of enantiomers
    • LMPR0103120002
    • NCGC00389957-01
    • BS-48823
    • CARYOPHYLLENE ISOCARYOPHYLLENE [MI]
    • CARYOPHYLLENE, ALPHA + BETA MIXT.
    • NS00013291
    • C09691
    • E75762
    • Q27106968
    • (-)-(E)-Caryophyllene;()--caryophyllene;()-trans-Caryophyllene
    • 204-267-6
1 4

Botanical

Name CAS Botanical Proportion
Savin 2 8024-00-8 Juniperus sabina L., fam. Cupressaceae 0.02%
Hinoki leaf Chamaecyparis obtusa (Sieb. et Zucc.) Endl., fam. Cupressaceae 1.65%
Hinoki root Chamaecyparis obtusa (Sieb. et Zucc.) Endl., fam. Cupressaceae 0.55%
Hinoki wood Chamaecyparis obtusa (Sieb. et Zucc.) Endl., fam. Cupressaceae 0.12%
Marigold pot 2 70892-20-5 Calendula officinalis L. (Pot Marigold), fam. Asteraceae (Compositae) 0.82%
Thymus capitatus (Portugal) Thymus capitatus (L.) Hoffmanns et Link, fam. Lamiaceae (Labiatae) 0.5%
Jasmine sambac (China) headspace Jasminum sambac (L.) Aiton, fam. Oleaceae 13.67%
Pinus koraiensis (China) Pinus koraiensis Sieb. et Zucc., fam. Pinaceae 2.04%
Neocinnamomum delavayi Neocinnamomum delavayi (L. Lec.) Liou, fam. Lauraceae 6.61%
Acronychia oligophlebia (China) Acronychia oligophlebia Merr., fam. Rutaceae 3.98%
Jasmine rose flower headspace (China) 1 Gardenia jasminoides Ellis, fam. Rubiaceae 0.19%
Chamomile, german (India) 2d root 8002-66-2 Chamomilla recutita (L.) Rausch.(Matricaria chamomilla L.), fam.Asteraceae 0.4%
Sage, dalmatian (Serbia-Montenegro) 1a leaf Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.01%
Sage, dalmatian (Serbia-Montenegro) 1b flower 8016-20-4 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.01%
Hemidesmus indicus Hemidesmus indicus R.Br., fam. Asclepiadaceae 0.2%
Marihuana (Austria) Cannabis sativa L., fam. Cannabinaceae 0.2%
Cerastium candidissimum (Greece) Cerastium candidissimum Correns, fam. Caryophyllaceae 0.5%
Teucrium salviastrum (Portugal) Teucrium salviastrum Schreber, fam. Lamiaceae (Lagiatae) 0.1%