beta-Cadinene

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  • Identifiers

    CAS number
    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

  • Odor profile

    Woody 82.14%
    Spicy 64.12%
    Herbal 60.75%
    Green 52.88%
    Fresh 49.1%
    Citrus 47.33%
    Terpenic 42.46%
    Dry 37.74%
    Pine 34.76%
    Oily 31.39%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    10.1 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 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 point est.
    97.67 ˚C

    Flash point expt.

    • greater than 230 °F (NTP, 1992)

    Solubility expt.

    • 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.)]-

  • Applications

    beta-Cadinene (β-cadinene, CAS 523-47-7) is a sesquiterpene hydrocarbon with a warm woody–spicy, slightly smoky odor, used primarily in fragrance creation to build woody/spicy accords and add depth and substantivity to fine fragrances, candles, and personal care; in essential oil research and quality control it serves as a GC–MS marker/standard for qualitative and quantitative profiling, chemotaxonomy, monitoring distillation/storage changes, and detecting adulteration; in plant science and agriculture it is a plant-emitted volatile linked to defense, studied for antimicrobial, antifungal, and insect-repellent activities with potential as a natural preservative or biopesticide (subject to formulation optimization and regulatory approval); in flavor/aroma and food technology its occurrence in natural materials informs sensory profiling and provenance/authenticity even though direct additive use depends on local regulations; it is also used in atmospheric chemistry studies as a low-volatility BVOC to probe oxidation and secondary organic aerosol formation; safety/regulatory notes: flammable and potentially irritating—store sealed, cool, protected from light/air, and comply with chemical safety and applicable registrations for commercial use.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 57.34
    methanol 19.4
    isopropanol 66.4
    water 0.02
    ethyl acetate 217.05
    n-propanol 75.27
    acetone 161.58
    n-butanol 107.46
    acetonitrile 72.43
    DMF 88.3
    toluene 493.04
    isobutanol 67.54
    1,4-dioxane 517.99
    methyl acetate 142.6
    THF 930.48
    2-butanone 230.45
    n-pentanol 70.23
    sec-butanol 77.52
    n-hexane 120.18
    ethylene glycol 2.99
    NMP 142.08
    cyclohexane 286.8
    DMSO 75.52
    n-butyl acetate 483.19
    n-octanol 118.6
    chloroform 483.21
    n-propyl acetate 150.18
    acetic acid 32.04
    dichloromethane 451.52
    cyclohexanone 420.44
    propylene glycol 9.57
    isopropyl acetate 185.31
    DMAc 123.0
    2-ethoxyethanol 57.63
    isopentanol 109.92
    n-heptane 263.01
    ethyl formate 77.83
    1,2-dichloroethane 290.44
    n-hexanol 243.36
    2-methoxyethanol 70.14
    isobutyl acetate 143.8
    tetrachloromethane 128.05
    n-pentyl acetate 207.82
    transcutol 431.1
    n-heptanol 112.3
    ethylbenzene 207.87
    MIBK 176.17
    2-propoxyethanol 184.61
    tert-butanol 103.0
    MTBE 251.45
    2-butoxyethanol 116.84
    propionic acid 40.28
    o-xylene 232.14
    formic acid 2.91
    diethyl ether 329.11
    m-xylene 291.63
    p-xylene 242.1
    chlorobenzene 285.14
    dimethyl carbonate 44.9
    n-octane 70.62
    formamide 6.94
    cyclopentanone 416.05
    2-pentanone 231.14
    anisole 231.51
    cyclopentyl methyl ether 424.78
    gamma-butyrolactone 267.52
    1-methoxy-2-propanol 88.39
    pyridine 437.79
    3-pentanone 194.94
    furfural 175.52
    n-dodecane 45.27
    diethylene glycol 55.59
    diisopropyl ether 145.59
    tert-amyl alcohol 99.79
    acetylacetone 201.46
    n-hexadecane 53.75
    acetophenone 177.46
    methyl propionate 129.16
    isopentyl acetate 406.78
    trichloroethylene 428.33
    n-nonanol 121.04
    cyclohexanol 167.55
    benzyl alcohol 99.88
    2-ethylhexanol 249.0
    isooctanol 103.63
    dipropyl ether 500.61
    1,2-dichlorobenzene 217.96
    ethyl lactate 43.63
    propylene carbonate 171.45
    n-methylformamide 26.6
    2-pentanol 92.02
    n-pentane 111.6
    1-propoxy-2-propanol 203.47
    1-methoxy-2-propyl acetate 289.42
    2-(2-methoxypropoxy) propanol 163.81
    mesitylene 193.3
    ε-caprolactone 302.06
    p-cymene 230.28
    epichlorohydrin 348.36
    1,1,1-trichloroethane 339.04
    2-aminoethanol 10.54
    morpholine-4-carbaldehyde 183.77
    sulfolane 203.72
    2,2,4-trimethylpentane 49.4
    2-methyltetrahydrofuran 648.63
    n-hexyl acetate 280.61
    isooctane 48.71
    2-(2-butoxyethoxy)ethanol 198.03
    sec-butyl acetate 139.97
    tert-butyl acetate 217.41
    decalin 103.82
    glycerin 11.55
    diglyme 354.38
    acrylic acid 24.03
    isopropyl myristate 158.87
    n-butyric acid 103.36
    acetyl acetate 135.66
    di(2-ethylhexyl) phthalate 113.23
    ethyl propionate 141.94
    nitromethane 55.39
    1,2-diethoxyethane 405.81
    benzonitrile 170.67
    trioctyl phosphate 81.57
    1-bromopropane 354.18
    gamma-valerolactone 328.04
    n-decanol 99.43
    triethyl phosphate 115.14
    4-methyl-2-pentanol 78.15
    propionitrile 110.64
    vinylene carbonate 131.97
    1,1,2-trichlorotrifluoroethane 93.4
    DMS 145.7
    cumene 141.53
    2-octanol 86.84
    2-hexanone 178.38
    octyl acetate 173.34
    limonene 320.94
    1,2-dimethoxyethane 222.96
    ethyl orthosilicate 128.35
    tributyl phosphate 97.34
    diacetone alcohol 136.51
    N,N-dimethylaniline 162.35
    acrylonitrile 78.06
    aniline 192.29
    1,3-propanediol 29.56
    bromobenzene 389.74
    dibromomethane 397.11
    1,1,2,2-tetrachloroethane 324.0
    2-methyl-cyclohexyl acetate 244.11
    tetrabutyl urea 127.9
    diisobutyl methanol 154.83
    2-phenylethanol 192.84
    styrene 227.21
    dioctyl adipate 172.25
    dimethyl sulfate 51.31
    ethyl butyrate 307.14
    methyl lactate 32.34
    butyl lactate 93.95
    diethyl carbonate 163.61
    propanediol butyl ether 77.36
    triethyl orthoformate 213.78
    p-tert-butyltoluene 221.46
    methyl 4-tert-butylbenzoate 179.91
    morpholine 444.45
    tert-butylamine 103.48
    n-dodecanol 83.77
    dimethoxymethane 141.7
    ethylene carbonate 124.15
    cyrene 106.55
    2-ethoxyethyl acetate 226.01
    2-ethylhexyl acetate 389.43
    1,2,4-trichlorobenzene 248.14
    4-methylpyridine 398.95
    dibutyl ether 304.9
    2,6-dimethyl-4-heptanol 154.83
    DEF 175.31
    dimethyl isosorbide 333.35
    tetrachloroethylene 195.94
    eugenol 129.36
    triacetin 175.26
    span 80 155.01
    1,4-butanediol 12.53
    1,1-dichloroethane 279.29
    2-methyl-1-pentanol 87.42
    methyl formate 25.93
    2-methyl-1-butanol 95.77
    n-decane 80.15
    butyronitrile 158.38
    3,7-dimethyl-1-octanol 145.55
    1-chlorooctane 178.84
    1-chlorotetradecane 80.96
    n-nonane 83.74
    undecane 57.66
    tert-butylcyclohexane 86.68
    cyclooctane 138.4
    cyclopentanol 134.04
    tetrahydropyran 781.48
    tert-amyl methyl ether 183.84
    2,5,8-trioxanonane 264.26
    1-hexene 228.89
    2-isopropoxyethanol 68.46
    2,2,2-trifluoroethanol 9.85
    methyl butyrate 158.52

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

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%