beta-Cadinene

  • Identifiers

    CAS mumber
    523-47-7

    Molecular formula
    C15H24

    SMILES
    CC1=CC[C@@H]2[C@@H](C1)[C@@H](CC=C2C)C(C)C

    Retention indicies (RI)

    • DB5: 1501.0

  • Properties

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

    Molecular weight
    204.35 g/mol

    Boiling points

    • 525 °F at 760 mmHg ; 300 °F at 20 mmHg (NTP, 1992)
    • 124 °C AT 9 MM HG
    • 273.00 to 276.00 °C. @ 760.00 mm Hg

    Flash points

    • greater than 230 °F (NTP, 1992)

    Solubilities

    • less than 0.1 mg/mL at 64 °F (NTP, 1992)
    • INSOLUBLE IN WATER; SLIGHTLY SOLUBLE IN ALCOHOL; SOLUBLE IN ACETONE, PETROLEUM ETHER, HOT CHLOROFORM
    • 0.08 mg/L @ 18C (exp)

  • Synonyms

    • BETA-CADINENE
    • Cadina-3,9-diene
    • Cadine-3,9-diene
    • 523-47-7
    • NCI-C56008
    • .beta.-Cadinene
    • beta-Cadinene, (-)-
    • (-)-beta-Cadinene
    • CCRIS 5894
    • HSDB 4355
    • Z07LA0GY4J
    • NSC 46152
    • CHEBI:27723
    • CADINENE, BETA-
    • (-)-.beta.-Cadinene
    • NSC-46152
    • .beta.-Cadinene, (-)-
    • BETA-CADINENE [HSDB]
    • .BETA.-CADINENE [MI]
    • DTXSID0024713
    • NSC46152
    • (1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene
    • Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4aR,8aS)-
    • Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-(1alpha,4abeta,8aalpha))-
    • b-cadinene
    • Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-
    • UNII-Z07LA0GY4J
    • Cadina3,9diene
    • Cadine3,9diene
    • betaCadinene, ()
    • NAPHTHALENE, 1,2,4A,5,8,8A-HEXAHYDRO-4,7-DIMETHYL-1-(1-METHYLETHYL)-, (1S-(1ALPHA,4ABETA,8A.ALPHA)).-
    • NAPHTHALENE, 1,2,4A,5,8,8A-HEXAHYDRO-4,7-DIMETHYL-1-(1-METHYLETHYL)-, [1S-(1ALPHA,4ABETA,8A.ALPHA]).-
    • (+)-beta-cadinene
    • 3,9-CADINADIENE
    • C09625
    • Cadina-3,9-diene (8CI)
    • DTXCID304713
    • CHEMBL3120653
    • USDOQCCMRDNVAH-KKUMJFAQSA-N
    • LMPR0103330003
    • NS00094606
    • Q27103285
    • Naphthalene,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-
    • (1S,4aR,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene
    • (1S,4aR,8aS)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene
    • 1-Isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-
    • NAPHTHALENE, 1,2,4A,5,8,8A-HEXAHYDRO-4,7-DIMETHYL-1-(1-METHYLETHYL)-(1S-(1ALPHA,4BETA,8ALPHA))-
    • Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-(1alpha,4abeta,8aalpha))-(9CI)
    • Naphthalene, 1,2,4a,5,8,8ahexahydro4,7dimethyl1(1methylethyl), (1S(1alpha,4abeta,8aalpha))
    • Naphthalene,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-
1 3

Botanical

Name CAS Botanical Proportion
Abies alba from cones 8021-27-0 Abies alba Mill., fam. Pinaceae 0.01%
Blackcurrant bud, absolute 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.08%
Ylang Ylang (China) 1 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 1.74%
Annual wormwood, leaf (U.S.A., Indiana) 1 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.18%
Annual wormwood, leaf (U.S.A., Indiana) 2 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.5%
Annual wormwood, flower (U.S.A., Indiana) 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.37%
Juniperus martinezii Juniperus martinezii Perez de la Rosa, fam. Cupressaceae 0.3%
Lepechinia urbanii Lepechinia urbanii (Briq.) Epling, fam. Lamiaceae (Labiatae) 0.58%
Artemisia judaica (Israel) 1 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.08%
Artemisia judaica (Egypt) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.04%
Olibanum, African (Somalia) 2 8016-36-2 Boswellia frereana Birdwood, fam. Burseraceae 0.04%
Annual wormwood (China) 1 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.2%
Litsea zeylanica Litsea zeylanica Nees, fam. Lauraceae 0.01%
Pepper, black (China) 1 fruit 8006-82-4 Piper nigrum L., fam. Piperaceae 0.74%
Thymus mongolicus (China) 2 Thymus mongolicus Ronn., fam. Lamiaceae (Labiatae) 0.15%
Artemisia occidentalis-sichaunensis (China) Artemisia occidentalis-sichuanensis Y.R. Ling et S.Y. Zhao,fam. Asteraceae 2.09%
Torreya grandis 1 Torreya grandis Fort., fam. Taxaceae 15.8%
Nepeta cataria 3 (China) 84929-35-1 Nepeta cataria L., fam. Lamiaceae (Labiatae) 0.19%
Eucalyptus globulus (Portugal) 1 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.01%
Luculia intermedia flower headspace (China) Luclia intermedia Hutch, fam. Rubiaceae 0.59%
Mentha haplocalyx (China) Mentha haplocalyx Briq., fam. Lamiaceae (Labiatae) 0.1%
Hedychium coronarium flower headspace (China) Hedychium coronarium Koenig, fam. Zingiberaceae 0.03%
Kaempferia galanga rhizome (China) Kaempferia galanga L. (Alpinia sessilis Kon.), fam. Zingiberaceae 0.22%
Litchi pulp (China) Lichi sinensis Sonn., fam. Sapindaceae 1.42%
Ylang Ylang (China) 3 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.82%
Ylang Ylang (Laos) 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.99%
Ylang Ylang (Thailand) 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.83%
Bay, West Indian 3 8015-73-4 Pimenta racemosa var. racemosa (P. Miller) J.W. Moore, fam. Myrtaceae 0.01%
Ylang Ylang (China) 4 68606-83-7 Cananga odorata (Lamk.) Hook. f. et Thomson, fam. Annonaceae 0.16%
Tea Tree (USA-California) 2 68647-73-4 Melaleuca alternifolia (Maiden et Betche) Cheel, fam. Myrtaceae 0.12%
Sage, spanish (Spain) 12 8016-65-7 Salvia lavandulaefolia Vahl, fam. Lamiaceae (Labiatae) 0.21%
Olibanum, Frankincense (Israel) 8016-36-2 Boswellia carterii Birdwood, fam. Burseraceae 0.01%
Calycolpus australis leaf Calycolpus australis Landrum, fam. Myrtaceae 0.35%
Spike lavender (Spain) 5 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.01%
Cassia, bark (China) 4a 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.05%
Turmeric (China) 3 8024-37-1 Curcuma longa L. (C. domestica Val.), fam. Zingiberaceae 0.1%
Eucalyptus globulus (China) 4 residue 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.7%
Calamus (Bangladesh) root 8015-79-0 Acorus calamus L., fam. Araceae 0.01%
Hypericum olympicum (Yugoslavia) Hypericum olympicum L., fam. Guttiferae (Hyperiaceae) 0.7%
Pteronia incana 3 Pteronia incana, fam. Asteraceae (Compositae) 0.6%
Pinus canariensis (Spain-Tenerife) Pinus canariensis Sweet ex Sprengel, fam. Pinaceae 0.2%