Ursadiol

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  • Identifiers

    CAS number
    37384-13-7

    Molecular formula
    C30H50O2

    SMILES
    C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CCC4=C5CC(CC[C@@]5([C@H](C[C@]43C)O)C)(C)C)C)(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 88.58%
    Amber 62.02%
    Dry 54.99%
    Musk 49.51%
    Cedar 48.38%
    Sandalwood 41.58%
    Earthy 41.16%
    Balsamic 36.53%
    Vetiver 36.12%
    Sweet 35.1%

     

    Flavor
    Woody 72.1%
    Camphor 60.08%
    Sweet 52.83%
    Pine 52.44%
    Earthy 48.69%
    Balsam 43.03%
    Dry 42.42%
    Herbal 38.59%
    Earth 38.39%
    Spicy 37.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    7.68 (neutral)

    Molecular weight
    442.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    219°C

    Flash point

    • 233.37 ˚C est.

  • Synonyms

    • Ursadiol
    • Coflodiol
    • UNII-3D089V7L0K
    • 3D089V7L0K
    • Olean-13(18)-ene-3,16-diol, (3beta,16beta)-
    • DTXSID00190819
    • Ursosiol
    • RefChem:50817
    • DTXCID90113310
    • 37384-13-7
    • Olean-13(18)-ene-3beta,16beta-diol
    • DB14555
    • (3S,4aR,6aR,6bS,8S,8aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicene-3,8-diol
    • Olean-13(18)-ene-3,16-diol, (3b,16b)-
    • Q27257046
    • OLEAN-13(18)-ENE-3,16-DIOL, (3.BETA.,16.BETA.)-
    • 37384-13-7

  • Applications

    Ursadiol (CAS 37384-13-7) is a bile acid derivative used primarily in pharmaceutical and biochemical contexts. In pharmaceuticals, it is commonly evaluated as an active ingredient or intermediate in the synthesis of steroid drugs and related pharmaceutical formulations. In biochemical research, it is used as a reference compound for bile acid studies and analytical methods. In cosmetics and personal care, Ursadiol may appear as a specialty ingredient with surfactant-like or skin-conditioning properties in niche formulations. In the materials sector, it may function as a processing aid or stabilizer in polymers, plastics, and coatings. In cleaning formulations, it may be used as a mild surfactant or formulation aid.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.6
    methanol 2.8
    isopropanol 4.02
    water 0.01
    ethyl acetate 5.49
    n-propanol 7.01
    acetone 5.75
    n-butanol 7.5
    acetonitrile 1.62
    DMF 20.93
    toluene 9.01
    isobutanol 5.22
    1,4-dioxane 19.0
    methyl acetate 3.89
    THF 35.67
    2-butanone 7.39
    n-pentanol 5.42
    sec-butanol 3.0
    n-hexane 0.33
    ethylene glycol 0.51
    NMP 20.12
    cyclohexane 0.31
    DMSO 5.83
    n-butyl acetate 7.19
    n-octanol 4.84
    chloroform 15.74
    n-propyl acetate 4.61
    acetic acid 3.24
    dichloromethane 7.67
    cyclohexanone 12.48
    propylene glycol 1.2
    isopropyl acetate 6.64
    DMAc 20.19
    2-ethoxyethanol 9.37
    isopentanol 6.11
    n-heptane 0.42
    ethyl formate 2.23
    1,2-dichloroethane 5.24
    n-hexanol 6.5
    2-methoxyethanol 11.42
    isobutyl acetate 5.81
    tetrachloromethane 2.8
    n-pentyl acetate 11.3
    transcutol 30.83
    n-heptanol 8.24
    ethylbenzene 4.16
    MIBK 7.56
    2-propoxyethanol 25.31
    tert-butanol 3.63
    MTBE 4.89
    2-butoxyethanol 22.01
    propionic acid 3.22
    o-xylene 4.4
    formic acid 1.15
    diethyl ether 6.3
    m-xylene 6.59
    p-xylene 4.4
    chlorobenzene 7.75
    dimethyl carbonate 4.99
    n-octane 0.17
    formamide 1.8
    cyclopentanone 16.97
    2-pentanone 8.17
    anisole 11.42
    cyclopentyl methyl ether 11.84
    gamma-butyrolactone 13.39
    1-methoxy-2-propanol 15.79
    pyridine 17.53
    3-pentanone 6.49
    furfural 13.1
    n-dodecane 0.07
    diethylene glycol 8.6
    diisopropyl ether 2.3
    tert-amyl alcohol 2.86
    acetylacetone 9.6
    n-hexadecane 0.09
    acetophenone 9.43
    methyl propionate 6.94
    isopentyl acetate 9.94
    trichloroethylene 14.25
    n-nonanol 5.91
    cyclohexanol 3.97
    benzyl alcohol 8.52
    2-ethylhexanol 4.48
    isooctanol 7.21
    dipropyl ether 6.83
    1,2-dichlorobenzene 7.24
    ethyl lactate 4.01
    propylene carbonate 6.56
    n-methylformamide 4.58
    2-pentanol 3.75
    n-pentane 0.34
    1-propoxy-2-propanol 19.97
    1-methoxy-2-propyl acetate 17.69
    2-(2-methoxypropoxy) propanol 14.71
    mesitylene 3.43
    ε-caprolactone 11.47
    p-cymene 3.69
    epichlorohydrin 16.64
    1,1,1-trichloroethane 5.79
    2-aminoethanol 2.3
    morpholine-4-carbaldehyde 28.93
    sulfolane 14.8
    2,2,4-trimethylpentane 0.3
    2-methyltetrahydrofuran 10.59
    n-hexyl acetate 11.45
    isooctane 0.31
    2-(2-butoxyethoxy)ethanol 20.99
    sec-butyl acetate 4.55
    tert-butyl acetate 8.75
    decalin 0.4
    glycerin 2.44
    diglyme 35.58
    acrylic acid 2.95
    isopropyl myristate 3.63
    n-butyric acid 6.2
    acetyl acetate 4.56
    di(2-ethylhexyl) phthalate 6.54
    ethyl propionate 5.05
    nitromethane 5.17
    1,2-diethoxyethane 10.02
    benzonitrile 6.1
    trioctyl phosphate 4.2
    1-bromopropane 3.35
    gamma-valerolactone 30.24
    n-decanol 3.08
    triethyl phosphate 4.53
    4-methyl-2-pentanol 3.66
    propionitrile 3.44
    vinylene carbonate 7.42
    1,1,2-trichlorotrifluoroethane 11.89
    DMS 8.11
    cumene 3.06
    2-octanol 3.97
    2-hexanone 6.02
    octyl acetate 5.03
    limonene 3.52
    1,2-dimethoxyethane 16.38
    ethyl orthosilicate 5.35
    tributyl phosphate 3.55
    diacetone alcohol 9.87
    N,N-dimethylaniline 9.64
    acrylonitrile 3.79
    aniline 8.8
    1,3-propanediol 4.79
    bromobenzene 8.03
    dibromomethane 5.41
    1,1,2,2-tetrachloroethane 11.25
    2-methyl-cyclohexyl acetate 7.9
    tetrabutyl urea 5.48
    diisobutyl methanol 3.42
    2-phenylethanol 12.17
    styrene 4.36
    dioctyl adipate 6.78
    dimethyl sulfate 7.6
    ethyl butyrate 6.26
    methyl lactate 5.04
    butyl lactate 10.91
    diethyl carbonate 3.78
    propanediol butyl ether 13.49
    triethyl orthoformate 7.64
    p-tert-butyltoluene 3.97
    methyl 4-tert-butylbenzoate 17.52
    morpholine 23.06
    tert-butylamine 2.32
    n-dodecanol 1.52
    dimethoxymethane 20.64
    ethylene carbonate 5.91
    cyrene 14.35
    2-ethoxyethyl acetate 16.99
    2-ethylhexyl acetate 7.81
    1,2,4-trichlorobenzene 10.48
    4-methylpyridine 14.59
    dibutyl ether 3.13
    2,6-dimethyl-4-heptanol 3.42
    DEF 9.42
    dimethyl isosorbide 25.6
    tetrachloroethylene 8.22
    eugenol 18.43
    triacetin 11.74
    span 80 12.86
    1,4-butanediol 1.94
    1,1-dichloroethane 4.65
    2-methyl-1-pentanol 4.58
    methyl formate 2.99
    2-methyl-1-butanol 5.08
    n-decane 0.23
    butyronitrile 3.92
    3,7-dimethyl-1-octanol 4.39
    1-chlorooctane 1.58
    1-chlorotetradecane 0.33
    n-nonane 0.2
    undecane 0.12
    tert-butylcyclohexane 0.46
    cyclooctane 0.21
    cyclopentanol 4.42
    tetrahydropyran 12.09
    tert-amyl methyl ether 3.95
    2,5,8-trioxanonane 20.05
    1-hexene 1.49
    2-isopropoxyethanol 7.93
    2,2,2-trifluoroethanol 1.71
    methyl butyrate 5.55

    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