(1alpha,6alpha,7alphaH)-2,4(15)-Copadiene

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  • Identifiers

    CAS number
    27597-38-2

    Molecular formula
    C15H22

    SMILES
    CC(C)C1CCC2(C3C1C2C(=C)C=C3)C

  • Odor profile

    Woody 78.77%
    Herbal 54.48%
    Spicy 53.84%
    Green 53.42%
    Fruity 50.96%
    Fresh 41.11%
    Oily 34.85%
    Earthy 31.04%
    Citrus 30.34%
    Balsamic 29.92%

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  • Properties

    XLogP3-AA
    4.5

    pKa est.
    9.44 (weak base)

    Molecular weight
    202.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    266°C

    Flash point est.
    72.12 ˚C

  • Synonyms

    • (1alpha,6alpha,7alphaH)-2,4(15)-Copadiene
    • 27597-38-2
    • DTXSID501129929
    • 1-methyl-5-methylidene-8-(propan-2-yl)tricyclo[4.4.0.0^{2,7}]dec-3-ene
    • Stereoisomer of 1-methyl-5-methylene-8-(1-methylethyl)tricyclo[4.4.0.02,7]dec-3-ene

  • Applications

    (1alpha,6alpha,7alphaH)-2,4(15)-Copadiene (CAS 27597-38-2) is a bicyclic sesquiterpene found in copaiba and other woody essential oils, used primarily as an analytical reference for GC-MS/GCxGC identification, quantification, and botanical authentication of flavor and fragrance materials; as a chemotaxonomic marker in essential-oil biodiversity studies; as a woody-resinous odorant to help reconstruct balsamic/terpenic notes in perfumery and flavor research; as a model substrate for sesquiterpene oxidation or epoxidation kinetics to guide essential-oil stabilization; as a natural scaffold for synthesis and structure-odor or structure-activity studies; and as a candidate semiochemical representing plant volatile signaling with potential use in species-specific insect lures, while also serving QA/QC, spectral library matching, and instrument calibration in aroma-botanical labs, noting its volatility and flammability and the need for safe handling.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 119.4
    methanol 58.34
    isopropanol 155.22
    water 0.11
    ethyl acetate 284.68
    n-propanol 153.44
    acetone 273.23
    n-butanol 191.55
    acetonitrile 139.01
    DMF 220.66
    toluene 552.14
    isobutanol 133.67
    1,4-dioxane 662.61
    methyl acetate 216.91
    THF 1318.5
    2-butanone 295.79
    n-pentanol 89.08
    sec-butanol 124.25
    n-hexane 54.64
    ethylene glycol 8.75
    NMP 214.31
    cyclohexane 178.12
    DMSO 107.56
    n-butyl acetate 443.01
    n-octanol 116.89
    chloroform 568.67
    n-propyl acetate 156.27
    acetic acid 57.49
    dichloromethane 489.66
    cyclohexanone 492.82
    propylene glycol 21.53
    isopropyl acetate 252.89
    DMAc 182.28
    2-ethoxyethanol 85.9
    isopentanol 179.4
    n-heptane 117.78
    ethyl formate 135.63
    1,2-dichloroethane 317.45
    n-hexanol 274.29
    2-methoxyethanol 154.6
    isobutyl acetate 153.63
    tetrachloromethane 129.13
    n-pentyl acetate 213.46
    transcutol 478.45
    n-heptanol 121.55
    ethylbenzene 178.77
    MIBK 231.74
    2-propoxyethanol 279.35
    tert-butanol 193.89
    MTBE 326.14
    2-butoxyethanol 151.96
    propionic acid 72.87
    o-xylene 228.67
    formic acid 9.05
    diethyl ether 359.24
    m-xylene 339.97
    p-xylene 212.38
    chlorobenzene 334.72
    dimethyl carbonate 102.81
    n-octane 36.78
    formamide 21.3
    cyclopentanone 602.48
    2-pentanone 305.33
    anisole 247.48
    cyclopentyl methyl ether 495.97
    gamma-butyrolactone 441.87
    1-methoxy-2-propanol 182.43
    pyridine 530.19
    3-pentanone 229.45
    furfural 284.27
    n-dodecane 27.93
    diethylene glycol 102.77
    diisopropyl ether 162.71
    tert-amyl alcohol 126.49
    acetylacetone 299.28
    n-hexadecane 33.42
    acetophenone 191.86
    methyl propionate 203.78
    isopentyl acetate 408.47
    trichloroethylene 496.25
    n-nonanol 113.99
    cyclohexanol 217.56
    benzyl alcohol 135.1
    2-ethylhexanol 198.37
    isooctanol 105.41
    dipropyl ether 370.31
    1,2-dichlorobenzene 258.7
    ethyl lactate 62.27
    propylene carbonate 248.16
    n-methylformamide 80.92
    2-pentanol 140.2
    n-pentane 79.9
    1-propoxy-2-propanol 277.38
    1-methoxy-2-propyl acetate 354.28
    2-(2-methoxypropoxy) propanol 171.85
    mesitylene 210.94
    ε-caprolactone 357.48
    p-cymene 196.54
    epichlorohydrin 487.62
    1,1,1-trichloroethane 334.77
    2-aminoethanol 29.59
    morpholine-4-carbaldehyde 275.27
    sulfolane 267.61
    2,2,4-trimethylpentane 39.95
    2-methyltetrahydrofuran 654.47
    n-hexyl acetate 270.84
    isooctane 50.18
    2-(2-butoxyethoxy)ethanol 217.49
    sec-butyl acetate 148.55
    tert-butyl acetate 274.31
    decalin 62.73
    glycerin 27.15
    diglyme 388.95
    acrylic acid 49.09
    isopropyl myristate 138.29
    n-butyric acid 176.38
    acetyl acetate 176.69
    di(2-ethylhexyl) phthalate 111.95
    ethyl propionate 160.84
    nitromethane 108.93
    1,2-diethoxyethane 345.93
    benzonitrile 233.4
    trioctyl phosphate 87.29
    1-bromopropane 319.07
    gamma-valerolactone 488.59
    n-decanol 88.48
    triethyl phosphate 109.89
    4-methyl-2-pentanol 120.78
    propionitrile 199.26
    vinylene carbonate 221.69
    1,1,2-trichlorotrifluoroethane 141.15
    DMS 182.42
    cumene 121.26
    2-octanol 86.85
    2-hexanone 175.24
    octyl acetate 151.44
    limonene 244.49
    1,2-dimethoxyethane 269.05
    ethyl orthosilicate 116.24
    tributyl phosphate 101.0
    diacetone alcohol 190.44
    N,N-dimethylaniline 156.08
    acrylonitrile 171.44
    aniline 283.29
    1,3-propanediol 80.88
    bromobenzene 424.39
    dibromomethane 402.22
    1,1,2,2-tetrachloroethane 344.62
    2-methyl-cyclohexyl acetate 214.65
    tetrabutyl urea 124.32
    diisobutyl methanol 153.39
    2-phenylethanol 247.78
    styrene 204.2
    dioctyl adipate 154.45
    dimethyl sulfate 94.24
    ethyl butyrate 270.37
    methyl lactate 67.96
    butyl lactate 122.27
    diethyl carbonate 156.7
    propanediol butyl ether 112.9
    triethyl orthoformate 201.37
    p-tert-butyltoluene 199.33
    methyl 4-tert-butylbenzoate 186.14
    morpholine 586.55
    tert-butylamine 164.82
    n-dodecanol 71.66
    dimethoxymethane 306.32
    ethylene carbonate 205.29
    cyrene 129.93
    2-ethoxyethyl acetate 246.08
    2-ethylhexyl acetate 343.08
    1,2,4-trichlorobenzene 280.23
    4-methylpyridine 517.98
    dibutyl ether 219.01
    2,6-dimethyl-4-heptanol 153.39
    DEF 226.55
    dimethyl isosorbide 354.51
    tetrachloroethylene 212.46
    eugenol 147.7
    triacetin 186.18
    span 80 158.25
    1,4-butanediol 24.18
    1,1-dichloroethane 329.71
    2-methyl-1-pentanol 94.37
    methyl formate 73.68
    2-methyl-1-butanol 141.79
    n-decane 47.32
    butyronitrile 247.19
    3,7-dimethyl-1-octanol 142.91
    1-chlorooctane 126.2
    1-chlorotetradecane 57.32
    n-nonane 45.79
    undecane 35.63
    tert-butylcyclohexane 57.05
    cyclooctane 78.46
    cyclopentanol 205.97
    tetrahydropyran 834.25
    tert-amyl methyl ether 198.06
    2,5,8-trioxanonane 262.99
    1-hexene 133.44
    2-isopropoxyethanol 90.16
    2,2,2-trifluoroethanol 24.67
    methyl butyrate 174.73

    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
Cyperus maculatus rhizome Cyperus maculatus Boeck, fam. Cyperaceae 0.4%