Copaene

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  • Identifiers

    CAS number
    3856-25-5

    Molecular formula
    C15H24

    SMILES
    CC1=CC[C@H]2[C@H]3[C@@H]1[C@@]2(CC[C@H]3C(C)C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Retention indicies (RI)

    • Carbowax: 1491.0

  • Odor profile

    Fragrance
    Woody 84.46%
    Herbal 56.45%
    Spicy 55.71%
    Green 40.81%
    Dry 39.64%
    Fresh 39.41%
    Balsamic 39.31%
    Vetiver 35.09%
    Amber 33.38%
    Oily 33.21%

     

    Flavor
    Woody 68.01%
    Wood 56.67%
    Herb 49.2%
    Herbal 44.62%
    Spice 42.77%
    Green 39.63%
    Pine 35.71%
    Terpene 32.77%
    Citrus 30.82%
    Turpentine 30.17%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    9.82 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 71.29 ˚C est.

  • Synonyms

    • Copaene
    • Aglaiene
    • 3856-25-5
    • (-)-copaene
    • UNII-0V56HXQ8N5
    • (-)-alpha-Copaene
    • 0V56HXQ8N5
    • COPAENE [MI]
    • EINECS 223-364-4
    • COPAENE, .ALPHA.-
    • (1R,2S,6S,7S,8S)-1,3-Dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
    • ALPHA-COPAENE
    • a-Copaene (>90%)
    • a-copaene
    • 8-Isopropyl-1,3-dimethyltricyclo(4.4.0.02,7)dec-3-ene
    • .alpha.-Copaene
    • TRICYCLO(4.4.0.02,7)DEC-3-ENE, 8-ISOPROPYL-1,3-DIMETHYL-
    • (-)-a-Copaene
    • (1R,2S,6S,7S,8S)-(-)-8-ISOPROPYL-1,3-DIMETHYLTRICYCLO(4.4.0.02,7)DEC-3-ENE
    • (1R,2S,6S,7S,8S)-(-)-8-Isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-ene
    • (1R,2S,6S,7S,8S)-1,3-Dimethyl-8-(1-methylethyl)tricyclo[4.4.0.02,7]dec-3-ene
    • TRICYCLO(4.4.0.02,7)DEC-3-ENE, 1,3-DIMETHYL-8-(1-METHYLETHYL)-, (1R,2S,6S,7S,8S)-
    • TRICYCLO(4.4.0.02,7)DEC-3-ENE, 8-ISOPROPYL-1,3-DIMETHYL-, (1R,2S,6S,7S,8S)-(-)-
    • 8-isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-ene
    • DTXSID30873067
    • alpha-Copanene
    • (1R,2S,6S,7S,8S)-1,3-Dimethyl-8-(1-methylethyl)tricyclo(4.4.0.02,7)dec-3-ene
    • (1R,2S,6S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo(4.4.0.02,7)dec-3-ene
    • I+--Copanene
    • (-)-I+--Copaene
    • COPAENE, ALPHA-
    • 1,3-dimethyl-8-propan-2-yltricyclo(4.4.0.02,7)dec-3-ene
    • 1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
    • (-)-.ALPHA.-COPAENE
    • Tricyclo(4.4.0.0(2,7))dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer
    • VLXDPFLIRFYIME-BTFPBAQTSA-N
    • DTXCID601324318
    • HY-122485
    • CS-0085720
    • 4FB740C8-9DD2-4B6A-A38A-AD843ADB56A5
    • Q27237288

  • Applications

    Copaene (CAS 3856-25-5) is a sesquiterpene hydrocarbon primarily used as a fragrance component in perfumery and cosmetics, contributing woody or resinous notes and may function as a fixative to help stabilize and extend scent. It may appear in household products as a fragrance ingredient in air fresheners and cleaners. In the fragrance industry it is often evaluated as an odorant and building block in aroma chemical synthesis, and may be used as a marker compound in essential oil analysis.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 91.1
    methanol 46.73
    isopropanol 106.99
    water 0.18
    ethyl acetate 244.18
    n-propanol 115.38
    acetone 222.58
    n-butanol 152.53
    acetonitrile 139.07
    DMF 154.6
    toluene 497.8
    isobutanol 105.59
    1,4-dioxane 572.82
    methyl acetate 185.44
    THF 1005.36
    2-butanone 241.12
    n-pentanol 72.44
    sec-butanol 87.64
    n-hexane 60.41
    ethylene glycol 8.2
    NMP 187.37
    cyclohexane 199.63
    DMSO 87.39
    n-butyl acetate 405.36
    n-octanol 114.69
    chloroform 532.33
    n-propyl acetate 141.09
    acetic acid 51.38
    dichloromethane 454.13
    cyclohexanone 454.39
    propylene glycol 16.87
    isopropyl acetate 216.83
    DMAc 143.07
    2-ethoxyethanol 75.99
    isopentanol 142.78
    n-heptane 130.31
    ethyl formate 115.57
    1,2-dichloroethane 289.73
    n-hexanol 237.67
    2-methoxyethanol 120.71
    isobutyl acetate 145.44
    tetrachloromethane 135.65
    n-pentyl acetate 198.75
    transcutol 375.92
    n-heptanol 122.87
    ethylbenzene 177.82
    MIBK 198.8
    2-propoxyethanol 236.64
    tert-butanol 134.07
    MTBE 255.77
    2-butoxyethanol 139.45
    propionic acid 66.31
    o-xylene 232.19
    formic acid 8.56
    diethyl ether 306.61
    m-xylene 321.7
    p-xylene 219.74
    chlorobenzene 319.04
    dimethyl carbonate 84.43
    n-octane 43.78
    formamide 19.34
    cyclopentanone 511.45
    2-pentanone 251.13
    anisole 228.49
    cyclopentyl methyl ether 426.12
    gamma-butyrolactone 387.12
    1-methoxy-2-propanol 133.12
    pyridine 469.21
    3-pentanone 198.22
    furfural 256.9
    n-dodecane 31.93
    diethylene glycol 94.58
    diisopropyl ether 148.23
    tert-amyl alcohol 95.11
    acetylacetone 261.6
    n-hexadecane 37.78
    acetophenone 180.14
    methyl propionate 170.07
    isopentyl acetate 372.29
    trichloroethylene 441.53
    n-nonanol 112.5
    cyclohexanol 183.74
    benzyl alcohol 121.12
    2-ethylhexanol 194.23
    isooctanol 105.96
    dipropyl ether 342.59
    1,2-dichlorobenzene 257.51
    ethyl lactate 54.12
    propylene carbonate 225.0
    n-methylformamide 63.54
    2-pentanol 107.14
    n-pentane 78.79
    1-propoxy-2-propanol 227.91
    1-methoxy-2-propyl acetate 309.16
    2-(2-methoxypropoxy) propanol 155.54
    mesitylene 205.51
    ε-caprolactone 338.79
    p-cymene 201.68
    epichlorohydrin 401.97
    1,1,1-trichloroethane 320.22
    2-aminoethanol 24.5
    morpholine-4-carbaldehyde 245.67
    sulfolane 249.32
    2,2,4-trimethylpentane 38.64
    2-methyltetrahydrofuran 560.5
    n-hexyl acetate 256.82
    isooctane 46.1
    2-(2-butoxyethoxy)ethanol 192.86
    sec-butyl acetate 134.56
    tert-butyl acetate 234.94
    decalin 70.15
    glycerin 22.72
    diglyme 347.63
    acrylic acid 45.06
    isopropyl myristate 136.8
    n-butyric acid 151.85
    acetyl acetate 169.79
    di(2-ethylhexyl) phthalate 107.63
    ethyl propionate 146.68
    nitromethane 99.03
    1,2-diethoxyethane 290.25
    benzonitrile 223.52
    trioctyl phosphate 85.72
    1-bromopropane 295.44
    gamma-valerolactone 438.67
    n-decanol 87.5
    triethyl phosphate 109.65
    4-methyl-2-pentanol 95.71
    propionitrile 182.29
    vinylene carbonate 208.02
    1,1,2-trichlorotrifluoroethane 125.54
    DMS 166.19
    cumene 122.86
    2-octanol 83.99
    2-hexanone 159.74
    octyl acetate 148.37
    limonene 247.59
    1,2-dimethoxyethane 228.57
    ethyl orthosilicate 118.54
    tributyl phosphate 96.59
    diacetone alcohol 153.52
    N,N-dimethylaniline 148.15
    acrylonitrile 151.35
    aniline 239.02
    1,3-propanediol 62.46
    bromobenzene 411.24
    dibromomethane 370.46
    1,1,2,2-tetrachloroethane 299.04
    2-methyl-cyclohexyl acetate 215.06
    tetrabutyl urea 117.89
    diisobutyl methanol 139.51
    2-phenylethanol 220.1
    styrene 197.2
    dioctyl adipate 148.46
    dimethyl sulfate 81.87
    ethyl butyrate 260.45
    methyl lactate 54.48
    butyl lactate 107.59
    diethyl carbonate 155.27
    propanediol butyl ether 96.76
    triethyl orthoformate 195.69
    p-tert-butyltoluene 201.59
    methyl 4-tert-butylbenzoate 186.66
    morpholine 477.18
    tert-butylamine 120.58
    n-dodecanol 71.27
    dimethoxymethane 239.68
    ethylene carbonate 195.82
    cyrene 120.91
    2-ethoxyethyl acetate 229.56
    2-ethylhexyl acetate 329.6
    1,2,4-trichlorobenzene 271.83
    4-methylpyridine 444.61
    dibutyl ether 215.71
    2,6-dimethyl-4-heptanol 139.51
    DEF 187.12
    dimethyl isosorbide 315.6
    tetrachloroethylene 205.42
    eugenol 144.09
    triacetin 180.97
    span 80 144.72
    1,4-butanediol 21.05
    1,1-dichloroethane 285.06
    2-methyl-1-pentanol 79.73
    methyl formate 60.3
    2-methyl-1-butanol 114.09
    n-decane 55.28
    butyronitrile 214.03
    3,7-dimethyl-1-octanol 125.88
    1-chlorooctane 131.92
    1-chlorotetradecane 59.96
    n-nonane 53.49
    undecane 40.71
    tert-butylcyclohexane 60.03
    cyclooctane 91.44
    cyclopentanol 167.29
    tetrahydropyran 715.35
    tert-amyl methyl ether 164.2
    2,5,8-trioxanonane 237.68
    1-hexene 130.02
    2-isopropoxyethanol 79.25
    2,2,2-trifluoroethanol 23.54
    methyl butyrate 159.63

    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
Ambrosia artemisiafolia Ambrosia artemisiafolia (Catinga de bode), fam. Asteraceae (Compositae) 0.66%
Amomum koenigii Amomum koenigii J.F. Gmelin, fam. Zingiberaceae 1.5%
Angelica (norvegica) tap root 8015-64-3 Angelica archangelica L. var. norvegica, fam. Apiaceae (Umbelliferae) 0.15%
Angelica (norvegica) lateral root 8015-64-3 Angelica archangelica L. var. norvegica, fam. Apiaceae (Umbelliferae) 0.29%
Angelica (sativa) tap root 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 1.16%
Angelica (sativa) lateral root 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 1.06%
Basil 1 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.02%
Basil (Comoro Islands) 2 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.02%
Cardamom (Reunion) 8000-66-6 Elettaria cardamomum (L.) Maton, var. alpha-minor, fam. Zingiberaceae 0.05%
Roman chamomile (Italy) 1 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.25%
Clove bud (Malagasy) 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison (E.caryophyllata Thunb.) 0.02%
Plectranthus barbatus (Brazil) 1 Plectranthus barbatus Andr. (Coleus barbatus), fam. Lamiaceae (Labiatae) 3.06%
Copaiba balsam 1 8001-61-4 Copaifera reticulata Ducke, fam. Legumiosae (Papilionaceae) 15.65%
Cubeb 1 8007-87-2 Piper cubeba L., fam. Piperaceae 10.4%
Elsholtzia blanda (China) Elsholtzia blanda Benth., fam. Lamiaceae (Labiatae) 0.15%
Eupatorium maximilianii Eupatorium maximilianii (Erva de Sao Joao), fam. Asteraceae (Compositae) 1.83%
Hinoki wood Chamaecyparis obtusa (Sieb. et Zucc.) Endl., fam. Cupressaceae 0.06%
Hyptis pectinata Hyptis pectinata (L.) Poit., fam. Lamiaceae (Labiatae) 0.05%
Ichtyothere terminalis (Brazil) Ichtyothere terminalis (common name: Mata-peixe or cunabi),fam. Asteraceae 1.02%
Laurel leaf (USA) 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.03%
Mace 2 8007-12-3 Myristica fragrans Houtt., fam. Myristicaceae 0.2%
Marjoram, sweet (Egypt) 1 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.1%
Marjoram, sweet (France) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.1%
Marjoram, sweet (Germany) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.15%
Marjoram, sweet (Hungary) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.1%
Marjoram, sweet (Portugal) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.2%
Marjoram, sweet (Rumania) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.1%
Marjoram, sweet (Tunisia) 1 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.1%
Mastic gum (Greece) 1 61789-92-2 Pistacia lentiscus L., var. Chia, fam. Anacardiaceae 0.01%
Myrtle leaf (Morocco) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.1%
Nutmeg (India) 1 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.15%
Nutmeg (India) 3 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.3%
Pimento (Allspice) 2 8006-77-7 Pimenta dioica (L.) Merr. (P. officinalis Lindl.), fam. Myrtaceae 0.05%
Rosemary (Spain) 3 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.01%
Sage, spanish (Spain) 5 8016-65-7 Salvia lavandulaefolia Vahl. ssp. lavandulafolia, fam Lamiaceae (Labiatae) 0.1%
Sage, spanish (Spain) 8 8016-65-7 Salvia lavandulaefolia Vahl. ssp. blancoana, fam. Lamiaceae (Labiatae) 0.05%
Wedelia paludosa (Brazil) 1 Wedelia paludosa DC. (Mal-me-quer), fam. Asteraceae (Compositae) 0.14%
Yarrow 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 0.59%
Ylang Ylang (China) 1 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.51%
Eucalyptus melliodora (Uruguay) Eucalyptus melliodora Cumn., fam. Myrtaceae 0.6%
Nutmeg (West Indies) 1 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.4%
Basil (Israel) 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.14%
Galangal root (Malaysia) 8023-91-4 Alpinia galanga (L.) Willd., fam. Zingiberaceae 0.7%
Pepper, black (China) 1 fruit 8006-82-4 Piper nigrum L., fam. Piperaceae 1.87%
Hop (China) 8007-04-3 Humulus lupulus L., fam. Cannabaceae 0.36%
Ocimum gratissimum (China) 3 Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 1.12%
Thymus mongolicus (China) 2 Thymus mongolicus Ronn., fam. Lamiaceae (Labiatae) 0.11%
Artemisia occidentalis-sichaunensis (China) Artemisia occidentalis-sichuanensis Y.R. Ling et S.Y. Zhao,fam. Asteraceae 0.75%
Nepeta cataria 3 (China) 84929-35-1 Nepeta cataria L., fam. Lamiaceae (Labiatae) 0.1%
Amomum villosum (China) 2b Amomum villosum Lour. var. xanthioides, fam. Zingiberaceae 0.33%