beta-Caryophyllone

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  • Identifiers

    CAS number
    109119-65-5

    Molecular formula
    C15H24O

    SMILES
    C[C@]12CC[C@H]3[C@@H](CC3(C)C)[C@H](C1)C(=O)CC2

    Safety labels

  • Odor profile

    Fragrance
    Woody 86.63%
    Cedar 57.77%
    Amber 57.67%
    Dry 52.25%
    Musk 42.1%
    Spicy 39.85%
    Earthy 39.55%
    Vetiver 38.28%
    Tobacco 37.99%
    Camphoreous 37.37%

     

    Flavor
    Woody 48.0%
    Camphor 37.56%
    Spicy 37.4%
    Earthy 34.34%
    Fresh 31.28%
    Dry 31.05%
    Sweet 30.21%
    Pine 27.74%
    Minty 27.67%
    Herbal 27.47%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.36 (neutral)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    318°C

    Flash point

    • 116.21 ˚C est.

  • Synonyms

    • Caryophyllone
    • beta-Caryophyllone
    • 109119-65-5
    • Tricyclo(6.3.1.02,5)dodecan-11-one, 4,4,8-trimethyl-, (1S-(1alpha,2beta,5alpha,8alpha))-
    • RefChem:119224
    • (1s,2r,5s,8r)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecan-11-one
    • SCHEMBL29477277
    • DTXSID10910989
    • 4,4,8-Trimethyltricyclo[6.3.1.0~2,5~]dodecan-11-one
    • (1S,2R,5S,8R)-4,4,8-Trimethyltricyclo[6.3.1.0~2,5~]dodecan-11-one
    • 109119-65-5

  • Applications

    beta-Caryophyllone (CAS 109119-65-5) is considered a potential fragrance ingredient for applications in perfumery and cosmetics, where it may act as a fragrance note or odorant; it may also be used as a flavor ingredient or note. As a compound suitable as an intermediate for the synthesis of sesquiterpene derivatives, it is often evaluated for industrial chemical applications in polymer and related processes. Additionally, beta-Caryophyllone may be used as a fragrance additive in coatings/inks and in household cleaning products to impart scent. These applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 102.32
    methanol 87.83
    isopropanol 105.87
    water 1.58
    ethyl acetate 178.11
    n-propanol 107.91
    acetone 186.01
    n-butanol 99.87
    acetonitrile 151.4
    DMF 239.66
    toluene 256.67
    isobutanol 82.68
    1,4-dioxane 360.26
    methyl acetate 188.81
    THF 449.07
    2-butanone 201.23
    n-pentanol 56.86
    sec-butanol 66.7
    n-hexane 7.01
    ethylene glycol 30.13
    NMP 201.24
    cyclohexane 29.37
    DMSO 126.32
    n-butyl acetate 183.88
    n-octanol 60.07
    chloroform 727.63
    n-propyl acetate 121.37
    acetic acid 104.94
    dichloromethane 439.48
    cyclohexanone 309.65
    propylene glycol 46.4
    isopropyl acetate 148.23
    DMAc 203.19
    2-ethoxyethanol 98.83
    isopentanol 92.23
    n-heptane 13.18
    ethyl formate 133.96
    1,2-dichloroethane 212.82
    n-hexanol 108.46
    2-methoxyethanol 173.7
    isobutyl acetate 108.6
    tetrachloromethane 97.71
    n-pentyl acetate 115.86
    transcutol 380.85
    n-heptanol 72.69
    ethylbenzene 114.48
    MIBK 128.04
    2-propoxyethanol 196.29
    tert-butanol 101.17
    MTBE 98.77
    2-butoxyethanol 141.31
    propionic acid 107.07
    o-xylene 146.45
    formic acid 38.02
    diethyl ether 97.56
    m-xylene 175.49
    p-xylene 166.75
    chlorobenzene 256.66
    dimethyl carbonate 94.94
    n-octane 6.96
    formamide 67.81
    cyclopentanone 326.48
    2-pentanone 142.99
    anisole 188.21
    cyclopentyl methyl ether 154.49
    gamma-butyrolactone 358.63
    1-methoxy-2-propanol 168.31
    pyridine 392.67
    3-pentanone 124.47
    furfural 358.89
    n-dodecane 7.69
    diethylene glycol 147.72
    diisopropyl ether 48.06
    tert-amyl alcohol 62.49
    acetylacetone 220.43
    n-hexadecane 9.12
    acetophenone 188.04
    methyl propionate 149.49
    isopentyl acetate 189.74
    trichloroethylene 513.09
    n-nonanol 59.84
    cyclohexanol 97.76
    benzyl alcohol 149.02
    2-ethylhexanol 80.51
    isooctanol 64.04
    dipropyl ether 83.21
    1,2-dichlorobenzene 235.76
    ethyl lactate 78.97
    propylene carbonate 261.91
    n-methylformamide 113.55
    2-pentanol 60.36
    n-pentane 10.83
    1-propoxy-2-propanol 160.98
    1-methoxy-2-propyl acetate 225.34
    2-(2-methoxypropoxy) propanol 150.41
    mesitylene 107.31
    ε-caprolactone 268.26
    p-cymene 88.81
    epichlorohydrin 342.26
    1,1,1-trichloroethane 264.62
    2-aminoethanol 62.7
    morpholine-4-carbaldehyde 275.03
    sulfolane 255.75
    2,2,4-trimethylpentane 9.05
    2-methyltetrahydrofuran 230.94
    n-hexyl acetate 148.14
    isooctane 9.5
    2-(2-butoxyethoxy)ethanol 175.28
    sec-butyl acetate 103.91
    tert-butyl acetate 155.24
    decalin 19.49
    glycerin 69.52
    diglyme 306.76
    acrylic acid 104.92
    isopropyl myristate 76.35
    n-butyric acid 165.96
    acetyl acetate 172.92
    di(2-ethylhexyl) phthalate 87.95
    ethyl propionate 114.71
    nitromethane 199.96
    1,2-diethoxyethane 145.87
    benzonitrile 247.96
    trioctyl phosphate 62.47
    1-bromopropane 134.86
    gamma-valerolactone 446.96
    n-decanol 48.27
    triethyl phosphate 78.08
    4-methyl-2-pentanol 58.78
    propionitrile 153.68
    vinylene carbonate 298.55
    1,1,2-trichlorotrifluoroethane 231.1
    DMS 152.05
    cumene 83.15
    2-octanol 46.31
    2-hexanone 114.69
    octyl acetate 88.9
    limonene 91.48
    1,2-dimethoxyethane 189.83
    ethyl orthosilicate 73.15
    tributyl phosphate 73.43
    diacetone alcohol 142.11
    N,N-dimethylaniline 119.54
    acrylonitrile 196.98
    aniline 203.86
    1,3-propanediol 99.96
    bromobenzene 283.71
    dibromomethane 284.71
    1,1,2,2-tetrachloroethane 373.32
    2-methyl-cyclohexyl acetate 139.67
    tetrabutyl urea 83.99
    diisobutyl methanol 60.08
    2-phenylethanol 180.95
    styrene 136.05
    dioctyl adipate 103.19
    dimethyl sulfate 116.04
    ethyl butyrate 140.33
    methyl lactate 97.9
    butyl lactate 111.7
    diethyl carbonate 107.24
    propanediol butyl ether 119.09
    triethyl orthoformate 105.7
    p-tert-butyltoluene 85.64
    methyl 4-tert-butylbenzoate 156.81
    morpholine 318.97
    tert-butylamine 70.21
    n-dodecanol 39.69
    dimethoxymethane 173.42
    ethylene carbonate 230.85
    cyrene 143.44
    2-ethoxyethyl acetate 171.0
    2-ethylhexyl acetate 154.76
    1,2,4-trichlorobenzene 268.09
    4-methylpyridine 359.88
    dibutyl ether 65.89
    2,6-dimethyl-4-heptanol 60.08
    DEF 143.79
    dimethyl isosorbide 252.73
    tetrachloroethylene 229.77
    eugenol 153.82
    triacetin 178.31
    span 80 134.0
    1,4-butanediol 36.56
    1,1-dichloroethane 256.08
    2-methyl-1-pentanol 61.88
    methyl formate 104.83
    2-methyl-1-butanol 72.52
    n-decane 11.76
    butyronitrile 153.38
    3,7-dimethyl-1-octanol 75.06
    1-chlorooctane 47.95
    1-chlorotetradecane 23.95
    n-nonane 9.54
    undecane 9.25
    tert-butylcyclohexane 16.9
    cyclooctane 12.07
    cyclopentanol 106.82
    tetrahydropyran 276.69
    tert-amyl methyl ether 68.16
    2,5,8-trioxanonane 208.43
    1-hexene 34.27
    2-isopropoxyethanol 85.71
    2,2,2-trifluoroethanol 64.57
    methyl butyrate 137.46

    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