Corymbolone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    97094-19-4

    Molecular formula
    C15H24O2

    SMILES
    C[C@H]1CCC(=O)[C@]2([C@]1(C[C@@H](CC2)C(=C)C)O)C

  • Odor profile

    Woody 57.45%
    Herbal 55.37%
    Mint 52.86%
    Camphoreous 50.3%
    Spicy 44.65%
    Fresh 42.89%
    Earthy 40.04%
    Cooling 38.98%
    Sweet 37.01%
    Citrus 34.52%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.76 (weak base)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    373°C

    Flash point est.
    129.84 ˚C

  • Synonyms

    • Corymbolone
    • 97094-19-4
    • DTXSID40242700
    • (4S,4aR,6R,8aR)-4a-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
    • (4S,4aR,6R,8aR)-4a-hydroxy-4,8a-dimethyl-6-(prop-1-en-2-yl)octahydronaphthalen-1(2H)-one
    • SCHEMBL21093618
    • CHEBI:65659
    • DTXCID30165191
    • Q27134139

  • Applications

    Corymbolone (CAS 97094-19-4) is a plant-derived terpenoid; in practice it is used primarily as an analytical reference standard for LC–MS/HPLC, as a chemomarker for botanical authentication and quality control, and as a scaffold/lead in medicinal chemistry to explore potential bioactivities (e.g., anti-inflammatory, antioxidant, antimicrobial); it is also employed as a test article to probe cellular mechanisms (such as modulation of inflammatory signaling), to optimize extraction–purification workflows, and to build quantitative methods and spectral libraries in pharmacognosy and metabolomics; there are no approved therapeutic indications, so current applications are largely confined to laboratory research and preclinical development.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 155.51
    methanol 240.15
    isopropanol 191.95
    water 0.78
    ethyl acetate 160.63
    n-propanol 161.07
    acetone 181.4
    n-butanol 151.66
    acetonitrile 155.07
    DMF 444.65
    toluene 290.49
    isobutanol 114.12
    1,4-dioxane 664.08
    methyl acetate 168.22
    THF 848.83
    2-butanone 188.96
    n-pentanol 71.73
    sec-butanol 99.1
    n-hexane 3.83
    ethylene glycol 22.9
    NMP 189.83
    cyclohexane 17.79
    DMSO 206.27
    n-butyl acetate 163.59
    n-octanol 52.72
    chloroform 669.39
    n-propyl acetate 108.58
    acetic acid 108.81
    dichloromethane 432.26
    cyclohexanone 323.65
    propylene glycol 39.22
    isopropyl acetate 138.8
    DMAc 262.17
    2-ethoxyethanol 131.11
    isopentanol 135.85
    n-heptane 4.37
    ethyl formate 121.56
    1,2-dichloroethane 228.76
    n-hexanol 127.53
    2-methoxyethanol 269.92
    isobutyl acetate 83.73
    tetrachloromethane 91.35
    n-pentyl acetate 111.73
    transcutol 565.16
    n-heptanol 69.61
    ethylbenzene 105.53
    MIBK 131.22
    2-propoxyethanol 272.37
    tert-butanol 223.92
    MTBE 141.71
    2-butoxyethanol 151.67
    propionic acid 93.45
    o-xylene 141.22
    formic acid 60.22
    diethyl ether 129.18
    m-xylene 177.57
    p-xylene 142.12
    chlorobenzene 242.65
    dimethyl carbonate 91.38
    n-octane 2.42
    formamide 117.22
    cyclopentanone 362.58
    2-pentanone 146.52
    anisole 213.22
    cyclopentyl methyl ether 181.54
    gamma-butyrolactone 348.45
    1-methoxy-2-propanol 242.52
    pyridine 495.72
    3-pentanone 109.95
    furfural 383.84
    n-dodecane 2.23
    diethylene glycol 176.74
    diisopropyl ether 45.66
    tert-amyl alcohol 110.67
    acetylacetone 226.95
    n-hexadecane 2.78
    acetophenone 170.75
    methyl propionate 127.3
    isopentyl acetate 171.49
    trichloroethylene 510.36
    n-nonanol 50.88
    cyclohexanol 126.56
    benzyl alcohol 159.87
    2-ethylhexanol 65.8
    isooctanol 59.75
    dipropyl ether 66.64
    1,2-dichlorobenzene 203.87
    ethyl lactate 61.62
    propylene carbonate 197.47
    n-methylformamide 183.33
    2-pentanol 81.84
    n-pentane 5.77
    1-propoxy-2-propanol 192.7
    1-methoxy-2-propyl acetate 206.24
    2-(2-methoxypropoxy) propanol 141.1
    mesitylene 103.14
    ε-caprolactone 245.66
    p-cymene 59.43
    epichlorohydrin 429.85
    1,1,1-trichloroethane 237.92
    2-aminoethanol 67.4
    morpholine-4-carbaldehyde 371.89
    sulfolane 280.57
    2,2,4-trimethylpentane 5.5
    2-methyltetrahydrofuran 278.75
    n-hexyl acetate 134.28
    isooctane 7.15
    2-(2-butoxyethoxy)ethanol 196.33
    sec-butyl acetate 88.41
    tert-butyl acetate 164.97
    decalin 10.99
    glycerin 67.65
    diglyme 396.9
    acrylic acid 85.29
    isopropyl myristate 52.04
    n-butyric acid 159.2
    acetyl acetate 135.79
    di(2-ethylhexyl) phthalate 66.9
    ethyl propionate 94.36
    nitromethane 228.33
    1,2-diethoxyethane 186.12
    benzonitrile 254.17
    trioctyl phosphate 42.8
    1-bromopropane 108.51
    gamma-valerolactone 500.42
    n-decanol 35.1
    triethyl phosphate 60.11
    4-methyl-2-pentanol 70.5
    propionitrile 166.54
    vinylene carbonate 227.82
    1,1,2-trichlorotrifluoroethane 232.55
    DMS 136.66
    cumene 67.08
    2-octanol 43.6
    2-hexanone 105.02
    octyl acetate 60.96
    limonene 60.55
    1,2-dimethoxyethane 333.06
    ethyl orthosilicate 60.42
    tributyl phosphate 51.63
    diacetone alcohol 172.29
    N,N-dimethylaniline 135.84
    acrylonitrile 221.76
    aniline 253.17
    1,3-propanediol 141.39
    bromobenzene 246.38
    dibromomethane 242.91
    1,1,2,2-tetrachloroethane 403.12
    2-methyl-cyclohexyl acetate 101.21
    tetrabutyl urea 65.7
    diisobutyl methanol 54.21
    2-phenylethanol 186.21
    styrene 125.02
    dioctyl adipate 74.58
    dimethyl sulfate 123.12
    ethyl butyrate 106.8
    methyl lactate 86.42
    butyl lactate 95.49
    diethyl carbonate 82.34
    propanediol butyl ether 125.66
    triethyl orthoformate 88.19
    p-tert-butyltoluene 63.06
    methyl 4-tert-butylbenzoate 149.2
    morpholine 600.0
    tert-butylamine 126.99
    n-dodecanol 24.81
    dimethoxymethane 303.56
    ethylene carbonate 185.9
    cyrene 136.76
    2-ethoxyethyl acetate 171.88
    2-ethylhexyl acetate 118.65
    1,2,4-trichlorobenzene 219.87
    4-methylpyridine 454.13
    dibutyl ether 55.9
    2,6-dimethyl-4-heptanol 54.21
    DEF 149.36
    dimethyl isosorbide 271.81
    tetrachloroethylene 252.34
    eugenol 147.37
    triacetin 140.53
    span 80 113.46
    1,4-butanediol 38.12
    1,1-dichloroethane 233.34
    2-methyl-1-pentanol 66.85
    methyl formate 142.14
    2-methyl-1-butanol 92.82
    n-decane 4.43
    butyronitrile 176.72
    3,7-dimethyl-1-octanol 62.12
    1-chlorooctane 29.14
    1-chlorotetradecane 10.36
    n-nonane 3.54
    undecane 3.03
    tert-butylcyclohexane 10.49
    cyclooctane 5.73
    cyclopentanol 138.02
    tetrahydropyran 401.59
    tert-amyl methyl ether 81.26
    2,5,8-trioxanonane 249.37
    1-hexene 23.5
    2-isopropoxyethanol 99.87
    2,2,2-trifluoroethanol 56.11
    methyl butyrate 120.65

    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 scariosus Cyperus scariosus R.Br., fam. Cupressaceae 3.15%