Lucidone A

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  • Identifiers

    CAS number
    97653-92-4

    Molecular formula
    C24H34O5

    SMILES
    CC(=O)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C

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  • Odor profile

    Fragrance
    Woody 69.91%
    Camphoreous 43.5%
    Mint 37.48%
    Cedar 34.76%
    Herbal 33.08%
    Tobacco 33.07%
    Sweet 32.69%
    Spicy 32.26%
    Dry 30.47%
    Earthy 28.94%

     

    Flavor
    Bitter 81.55%
    Minty 24.86%
    Cedarleaf 22.24%
    Ripe apricot 21.67%
    Red fruit 21.36%
    Camphor 20.62%
    Parsley 20.53%
    Leaves 20.47%
    Sweet-like 20.4%
    Fenugreek 20.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    5.5 (weak acid)

    Molecular weight
    402.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    185°C

    Flash point

    • 246.56 ˚C est.

  • Synonyms

    • Lucidone A
    • 97653-92-4
    • (3S,5R,7S,10S,13R,14R,17S)-17-acetyl-3,7-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthrene-11,15-dione
    • (3S,5R,7S,10S,13R,14R,17S)-17-acetyl-3,7-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta(a)phenanthrene-11,15-dione
    • Armillyl everninic acid
    • RefChem:154224
    • 3b,7b-Dihydroxy-4,4,14-trimethyl-5a-pregn-8-ene-11,15,20-trione, 9CI
    • 3b,7b-Dihydroxy-22,23,24,25,26,27-hexanorlanost-8-ene-11,15,20-trione
    • Pregn-8-ene-11,15,20-trione, 3,7-dihydroxy-4,4,14-trimethyl-, (3beta,5alpha,7beta)-
    • orb1984267
    • CHEMBL2203600
    • SCHEMBL24412731
    • CHEBI:172643
    • HY-N6595
    • AKOS040760843
    • DA-75145
    • CS-0034306
    • Pregn-8-ene-11,15,20-trione, 3,7-dihydroxy-4,4,14-trimethyl-, (3|A,5|A,7|A)-
    • 97653-92-4

  • Applications

    Lucidone A (CAS 97653-92-4) is used primarily as an aroma-active ingredient in perfumery and flavor applications, and may be incorporated into cosmetics and personal care products as a fragrance component; it is often evaluated as an intermediate in organic synthesis for the preparation of specialty chemicals; it can serve as a fragrance additive in household products and in coatings or inks, and is occasionally explored for use in polymer/plastics formulations as an odorant, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.82
    methanol 60.97
    isopropanol 16.78
    water 0.16
    ethyl acetate 8.66
    n-propanol 20.8
    acetone 27.09
    n-butanol 11.02
    acetonitrile 14.91
    DMF 219.9
    toluene 3.92
    isobutanol 9.55
    1,4-dioxane 53.39
    methyl acetate 12.46
    THF 101.26
    2-butanone 15.48
    n-pentanol 5.7
    sec-butanol 4.64
    n-hexane 0.12
    ethylene glycol 12.25
    NMP 66.52
    cyclohexane 0.23
    DMSO 113.68
    n-butyl acetate 7.92
    n-octanol 2.25
    chloroform 39.3
    n-propyl acetate 6.76
    acetic acid 30.28
    dichloromethane 22.93
    cyclohexanone 26.4
    propylene glycol 9.19
    isopropyl acetate 6.77
    DMAc 74.87
    2-ethoxyethanol 26.84
    isopentanol 6.48
    n-heptane 0.08
    ethyl formate 10.44
    1,2-dichloroethane 13.1
    n-hexanol 7.67
    2-methoxyethanol 81.72
    isobutyl acetate 5.39
    tetrachloromethane 3.99
    n-pentyl acetate 7.52
    transcutol 18.56
    n-heptanol 4.63
    ethylbenzene 1.98
    MIBK 7.81
    2-propoxyethanol 52.06
    tert-butanol 10.96
    MTBE 2.54
    2-butoxyethanol 19.72
    propionic acid 11.81
    o-xylene 2.09
    formic acid 27.99
    diethyl ether 5.63
    m-xylene 2.54
    p-xylene 2.84
    chlorobenzene 6.96
    dimethyl carbonate 18.72
    n-octane 0.06
    formamide 42.13
    cyclopentanone 58.07
    2-pentanone 11.64
    anisole 7.27
    cyclopentyl methyl ether 11.63
    gamma-butyrolactone 60.69
    1-methoxy-2-propanol 51.83
    pyridine 34.2
    3-pentanone 8.2
    furfural 45.73
    n-dodecane 0.04
    diethylene glycol 49.2
    diisopropyl ether 0.93
    tert-amyl alcohol 3.15
    acetylacetone 20.18
    n-hexadecane 0.05
    acetophenone 10.39
    methyl propionate 13.9
    isopentyl acetate 7.55
    trichloroethylene 32.11
    n-nonanol 2.59
    cyclohexanol 4.71
    benzyl alcohol 11.23
    2-ethylhexanol 2.39
    isooctanol 3.45
    dipropyl ether 2.74
    1,2-dichlorobenzene 6.56
    ethyl lactate 7.76
    propylene carbonate 19.84
    n-methylformamide 78.5
    2-pentanol 3.14
    n-pentane 0.12
    1-propoxy-2-propanol 21.03
    1-methoxy-2-propyl acetate 17.01
    2-(2-methoxypropoxy) propanol 11.74
    mesitylene 1.33
    ε-caprolactone 20.25
    p-cymene 1.25
    epichlorohydrin 65.58
    1,1,1-trichloroethane 9.9
    2-aminoethanol 23.34
    morpholine-4-carbaldehyde 98.09
    sulfolane 69.5
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 15.68
    n-hexyl acetate 7.12
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 13.94
    sec-butyl acetate 3.69
    tert-butyl acetate 6.86
    decalin 0.16
    glycerin 22.3
    diglyme 29.92
    acrylic acid 15.45
    isopropyl myristate 1.97
    n-butyric acid 14.05
    acetyl acetate 9.6
    di(2-ethylhexyl) phthalate 5.01
    ethyl propionate 6.43
    nitromethane 62.17
    1,2-diethoxyethane 6.35
    benzonitrile 11.79
    trioctyl phosphate 3.5
    1-bromopropane 3.9
    gamma-valerolactone 95.06
    n-decanol 1.43
    triethyl phosphate 4.02
    4-methyl-2-pentanol 2.44
    propionitrile 13.44
    vinylene carbonate 24.14
    1,1,2-trichlorotrifluoroethane 48.01
    DMS 10.53
    cumene 1.29
    2-octanol 1.87
    2-hexanone 7.41
    octyl acetate 3.15
    limonene 1.24
    1,2-dimethoxyethane 41.67
    ethyl orthosilicate 3.36
    tributyl phosphate 3.16
    diacetone alcohol 14.18
    N,N-dimethylaniline 5.65
    acrylonitrile 23.45
    aniline 9.18
    1,3-propanediol 30.57
    bromobenzene 5.87
    dibromomethane 11.41
    1,1,2,2-tetrachloroethane 23.88
    2-methyl-cyclohexyl acetate 6.11
    tetrabutyl urea 5.39
    diisobutyl methanol 1.43
    2-phenylethanol 13.56
    styrene 2.32
    dioctyl adipate 4.51
    dimethyl sulfate 32.71
    ethyl butyrate 4.99
    methyl lactate 18.23
    butyl lactate 8.9
    diethyl carbonate 4.42
    propanediol butyl ether 12.74
    triethyl orthoformate 4.62
    p-tert-butyltoluene 1.16
    methyl 4-tert-butylbenzoate 10.96
    morpholine 65.57
    tert-butylamine 2.87
    n-dodecanol 0.79
    dimethoxymethane 96.71
    ethylene carbonate 18.99
    cyrene 21.11
    2-ethoxyethyl acetate 13.77
    2-ethylhexyl acetate 5.16
    1,2,4-trichlorobenzene 9.57
    4-methylpyridine 22.75
    dibutyl ether 1.31
    2,6-dimethyl-4-heptanol 1.43
    DEF 16.57
    dimethyl isosorbide 25.15
    tetrachloroethylene 17.08
    eugenol 14.87
    triacetin 9.16
    span 80 9.91
    1,4-butanediol 10.04
    1,1-dichloroethane 10.04
    2-methyl-1-pentanol 3.42
    methyl formate 48.98
    2-methyl-1-butanol 4.71
    n-decane 0.09
    butyronitrile 9.74
    3,7-dimethyl-1-octanol 1.87
    1-chlorooctane 0.68
    1-chlorotetradecane 0.19
    n-nonane 0.07
    undecane 0.06
    tert-butylcyclohexane 0.14
    cyclooctane 0.08
    cyclopentanol 10.89
    tetrahydropyran 17.28
    tert-amyl methyl ether 1.76
    2,5,8-trioxanonane 18.86
    1-hexene 0.75
    2-isopropoxyethanol 12.4
    2,2,2-trifluoroethanol 16.52
    methyl butyrate 8.35

    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