3beta,24-Dihydroxy-22alpha-22,29-epoxyolean-12-ene-11,29-dione

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  • Identifiers

    CAS number
    98063-18-4

    Molecular formula
    C30H44O5

    SMILES
    C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@]6(C[C@H]5OC6=O)C)C)C)C)(C)CO)O

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  • Odor profile

    Fragrance
    Woody 75.72%
    Cedar 44.74%
    Amber 43.9%
    Spicy 39.24%
    Dry 37.71%
    Camphoreous 30.82%
    Balsamic 30.73%
    Tobacco 28.49%
    Earthy 28.37%
    Musk 27.36%

     

    Flavor
    Bitter 74.66%
    Camphor 32.09%
    Woody 30.93%
    Pine 27.84%
    Cedarleaf 24.11%
    Minty 24.0%
    Ripe apricot 23.65%
    Herbal 23.34%
    Patchouli 22.97%
    Red fruit 22.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    5.95 (weak acid)

    Molecular weight
    484.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    129°C

    Flash point

    • 273.65 ˚C est.

  • Synonyms

    • DTXSID001134787
    • 3beta,24-Dihydroxy-22alpha-22,29-epoxyolean-12-ene-11,29-dione
    • 98063-18-4
    • Olean-12-en-29-oic acid, 3,22,23-trihydroxy-11-oxo-, I(3)-lactone, (3I(2),4I(2),20I(2),22I(2))-
    • 98063-18-4

  • Applications

    For 3beta,24-Dihydroxy-22alpha-22,29-epoxyolean-12-ene-11,29-dione (CAS 98063-18-4), this compound is primarily employed as a synthetic intermediate in the preparation of steroid-like and triterpenoid compounds, encountered in pharmaceutical R&D as a building block for further functionalization and exploration of bioactive derivatives; in cosmetics and personal care it is explored as a scaffold for novel active ingredients or formulation optimization, leveraging its rigid oleanane scaffold and hydroxy functionality; in coatings and polymers it can be used as a specialty chemical intermediate to introduce terpenoid moieties into bio-based resins and paints; in agriculture and agrochemicals it may be evaluated as a semi-synthetic starting material for development of bioactive agrochemicals; and generally it may be used as an intermediate or precursor in synthesis, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 42.61
    methanol 42.9
    isopropanol 39.15
    water 0.04
    ethyl acetate 17.53
    n-propanol 50.06
    acetone 41.15
    n-butanol 35.33
    acetonitrile 18.83
    DMF 190.62
    toluene 12.77
    isobutanol 25.81
    1,4-dioxane 72.33
    methyl acetate 18.12
    THF 153.39
    2-butanone 33.12
    n-pentanol 19.64
    sec-butanol 13.96
    n-hexane 0.38
    ethylene glycol 8.5
    NMP 82.37
    cyclohexane 0.66
    DMSO 91.92
    n-butyl acetate 13.44
    n-octanol 7.05
    chloroform 52.52
    n-propyl acetate 11.23
    acetic acid 37.98
    dichloromethane 27.27
    cyclohexanone 48.07
    propylene glycol 13.82
    isopropyl acetate 15.08
    DMAc 89.18
    2-ethoxyethanol 47.64
    isopentanol 18.81
    n-heptane 0.31
    ethyl formate 16.0
    1,2-dichloroethane 17.95
    n-hexanol 20.03
    2-methoxyethanol 93.31
    isobutyl acetate 9.86
    tetrachloromethane 7.16
    n-pentyl acetate 16.97
    transcutol 50.95
    n-heptanol 12.82
    ethylbenzene 4.65
    MIBK 16.99
    2-propoxyethanol 88.03
    tert-butanol 18.59
    MTBE 8.35
    2-butoxyethanol 43.49
    propionic acid 20.47
    o-xylene 5.91
    formic acid 18.97
    diethyl ether 17.57
    m-xylene 7.45
    p-xylene 5.43
    chlorobenzene 14.57
    dimethyl carbonate 22.36
    n-octane 0.16
    formamide 29.01
    cyclopentanone 80.15
    2-pentanone 27.71
    anisole 15.4
    cyclopentyl methyl ether 25.58
    gamma-butyrolactone 66.91
    1-methoxy-2-propanol 83.43
    pyridine 52.42
    3-pentanone 19.12
    furfural 51.39
    n-dodecane 0.11
    diethylene glycol 56.07
    diisopropyl ether 3.31
    tert-amyl alcohol 8.24
    acetylacetone 32.51
    n-hexadecane 0.13
    acetophenone 17.61
    methyl propionate 24.3
    isopentyl acetate 14.67
    trichloroethylene 41.4
    n-nonanol 7.82
    cyclohexanol 12.73
    benzyl alcohol 21.19
    2-ethylhexanol 6.92
    isooctanol 9.3
    dipropyl ether 7.66
    1,2-dichlorobenzene 12.42
    ethyl lactate 12.37
    propylene carbonate 25.37
    n-methylformamide 66.05
    2-pentanol 11.41
    n-pentane 0.51
    1-propoxy-2-propanol 42.79
    1-methoxy-2-propyl acetate 29.71
    2-(2-methoxypropoxy) propanol 22.99
    mesitylene 3.65
    ε-caprolactone 34.96
    p-cymene 3.12
    epichlorohydrin 75.83
    1,1,1-trichloroethane 15.13
    2-aminoethanol 27.28
    morpholine-4-carbaldehyde 112.89
    sulfolane 71.15
    2,2,4-trimethylpentane 0.26
    2-methyltetrahydrofuran 32.46
    n-hexyl acetate 17.16
    isooctane 0.26
    2-(2-butoxyethoxy)ethanol 34.36
    sec-butyl acetate 7.62
    tert-butyl acetate 14.59
    decalin 0.43
    glycerin 25.81
    diglyme 58.75
    acrylic acid 22.33
    isopropyl myristate 5.12
    n-butyric acid 31.63
    acetyl acetate 14.52
    di(2-ethylhexyl) phthalate 10.35
    ethyl propionate 10.6
    nitromethane 56.2
    1,2-diethoxyethane 14.93
    benzonitrile 18.23
    trioctyl phosphate 7.34
    1-bromopropane 9.3
    gamma-valerolactone 126.45
    n-decanol 4.3
    triethyl phosphate 6.82
    4-methyl-2-pentanol 7.08
    propionitrile 22.45
    vinylene carbonate 31.41
    1,1,2-trichlorotrifluoroethane 51.9
    DMS 15.96
    cumene 2.94
    2-octanol 5.48
    2-hexanone 15.38
    octyl acetate 7.99
    limonene 3.57
    1,2-dimethoxyethane 58.6
    ethyl orthosilicate 6.69
    tributyl phosphate 6.31
    diacetone alcohol 24.2
    N,N-dimethylaniline 10.27
    acrylonitrile 29.47
    aniline 20.95
    1,3-propanediol 48.05
    bromobenzene 12.38
    dibromomethane 17.71
    1,1,2,2-tetrachloroethane 33.21
    2-methyl-cyclohexyl acetate 11.92
    tetrabutyl urea 10.14
    diisobutyl methanol 3.67
    2-phenylethanol 25.28
    styrene 5.49
    dioctyl adipate 10.01
    dimethyl sulfate 31.3
    ethyl butyrate 9.41
    methyl lactate 26.15
    butyl lactate 19.35
    diethyl carbonate 6.67
    propanediol butyl ether 30.75
    triethyl orthoformate 9.84
    p-tert-butyltoluene 3.05
    methyl 4-tert-butylbenzoate 22.31
    morpholine 101.81
    tert-butylamine 6.85
    n-dodecanol 2.34
    dimethoxymethane 104.97
    ethylene carbonate 25.76
    cyrene 32.69
    2-ethoxyethyl acetate 27.82
    2-ethylhexyl acetate 10.56
    1,2,4-trichlorobenzene 17.28
    4-methylpyridine 37.84
    dibutyl ether 3.69
    2,6-dimethyl-4-heptanol 3.67
    DEF 29.4
    dimethyl isosorbide 37.81
    tetrachloroethylene 23.21
    eugenol 25.87
    triacetin 18.8
    span 80 20.62
    1,4-butanediol 17.88
    1,1-dichloroethane 16.75
    2-methyl-1-pentanol 10.78
    methyl formate 37.83
    2-methyl-1-butanol 15.05
    n-decane 0.28
    butyronitrile 19.46
    3,7-dimethyl-1-octanol 5.33
    1-chlorooctane 1.96
    1-chlorotetradecane 0.52
    n-nonane 0.22
    undecane 0.16
    tert-butylcyclohexane 0.37
    cyclooctane 0.26
    cyclopentanol 23.04
    tetrahydropyran 41.27
    tert-amyl methyl ether 5.53
    2,5,8-trioxanonane 35.1
    1-hexene 2.14
    2-isopropoxyethanol 25.88
    2,2,2-trifluoroethanol 15.99
    methyl butyrate 13.36

    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