3beta-Hydroxy-18alpha-18,29-epoxyolean-12-ene-11,29-dione

  • Identifiers

    CAS number
    10376-64-4

    Molecular formula
    C30H44O4

    SMILES
    C[C@]12CC[C@@]3(C[C@@]1(C4=CC(=O)[C@@H]5[C@]6(CC[C@@H](C([C@@H]6CC[C@]5([C@@]4(CC2)C)C)(C)C)O)C)OC3=O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 80.02%
    Cedar 51.35%
    Amber 50.28%
    Dry 45.46%
    Musk 38.16%
    Tobacco 37.22%
    Camphoreous 36.68%
    Spicy 34.81%
    Earthy 34.38%
    Vetiver 31.0%

     

    Flavor
    Bitter 62.52%
    Woody 46.72%
    Camphor 46.26%
    Pine 33.75%
    Herbal 30.11%
    Minty 26.83%
    Earthy 25.35%
    Spicy 25.0%
    Ripe apricot 24.79%
    Earth 24.51%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    6.54 (neutral)

    Molecular weight
    468.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    154°C

    Flash point

    • 240.16 ˚C est.

  • Synonyms

    • DTXSID001148116
    • 10376-64-4
    • 3beta-Hydroxy-18alpha-18,29-epoxyolean-12-ene-11,29-dione
    • Olean-12-en-29-oic acid, 3,18-dihydroxy-11-oxo-, I(3)-lactone, (3I(2),18I+/-,20I+/-)-
    • 10376-64-4
  • Applications

    3beta-Hydroxy-18alpha-18,29-epoxyolean-12-ene-11,29-dione (CAS 10376-64-4) is a steroid-like oleanane derivative commonly used as an intermediate or building block in the synthesis of steroidal compounds and other triterpenoid derivatives. Practical applications include: serving as an intermediate for pharmaceutical and steroid synthesis; acting as a scaffold for medicinal chemistry studies and structure-activity relationship (SAR) exploration; used as an intermediate in cosmetics/personal care to develop steroid-related active ingredients or derivatives; employed as a building block in industrial synthesis of functionalized oleanane compounds; and may be evaluated in agricultural research or plant-derived bioactive compounds in early development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.05
    methanol 13.04
    isopropanol 27.8
    water 0.02
    ethyl acetate 33.3
    n-propanol 44.2
    acetone 33.86
    n-butanol 42.29
    acetonitrile 18.94
    DMF 153.67
    toluene 44.58
    isobutanol 30.12
    1,4-dioxane 88.26
    methyl acetate 27.15
    THF 167.35
    2-butanone 47.41
    n-pentanol 28.71
    sec-butanol 20.52
    n-hexane 1.22
    ethylene glycol 3.34
    NMP 136.16
    cyclohexane 2.16
    DMSO 45.44
    n-butyl acetate 25.99
    n-octanol 10.6
    chloroform 93.77
    n-propyl acetate 21.41
    acetic acid 26.15
    dichloromethane 49.68
    cyclohexanone 80.6
    propylene glycol 7.4
    isopropyl acetate 30.13
    DMAc 117.45
    2-ethoxyethanol 43.22
    isopentanol 27.83
    n-heptane 0.86
    ethyl formate 17.63
    1,2-dichloroethane 32.28
    n-hexanol 31.78
    2-methoxyethanol 66.28
    isobutyl acetate 20.26
    tetrachloromethane 13.36
    n-pentyl acetate 28.95
    transcutol 58.38
    n-heptanol 18.59
    ethylbenzene 16.31
    MIBK 30.87
    2-propoxyethanol 96.78
    tert-butanol 16.84
    MTBE 16.47
    2-butoxyethanol 50.61
    propionic acid 23.82
    o-xylene 19.43
    formic acid 9.24
    diethyl ether 32.17
    m-xylene 23.82
    p-xylene 18.46
    chlorobenzene 39.88
    dimethyl carbonate 30.74
    n-octane 0.33
    formamide 16.0
    cyclopentanone 109.36
    2-pentanone 45.48
    anisole 35.08
    cyclopentyl methyl ether 56.9
    gamma-butyrolactone 95.76
    1-methoxy-2-propanol 73.37
    pyridine 91.36
    3-pentanone 39.05
    furfural 74.67
    n-dodecane 0.25
    diethylene glycol 41.4
    diisopropyl ether 8.56
    tert-amyl alcohol 13.28
    acetylacetone 44.97
    n-hexadecane 0.32
    acetophenone 35.68
    methyl propionate 43.11
    isopentyl acetate 29.83
    trichloroethylene 77.26
    n-nonanol 12.73
    cyclohexanol 26.91
    benzyl alcohol 36.03
    2-ethylhexanol 14.64
    isooctanol 14.74
    dipropyl ether 16.74
    1,2-dichlorobenzene 34.27
    ethyl lactate 18.02
    propylene carbonate 41.67
    n-methylformamide 45.68
    2-pentanol 20.82
    n-pentane 1.53
    1-propoxy-2-propanol 53.88
    1-methoxy-2-propyl acetate 50.71
    2-(2-methoxypropoxy) propanol 32.15
    mesitylene 11.33
    ε-caprolactone 68.57
    p-cymene 8.46
    epichlorohydrin 104.62
    1,1,1-trichloroethane 33.44
    2-aminoethanol 13.74
    morpholine-4-carbaldehyde 157.54
    sulfolane 95.72
    2,2,4-trimethylpentane 0.85
    2-methyltetrahydrofuran 62.69
    n-hexyl acetate 30.51
    isooctane 0.77
    2-(2-butoxyethoxy)ethanol 42.57
    sec-butyl acetate 18.27
    tert-butyl acetate 28.41
    decalin 1.54
    glycerin 15.03
    diglyme 72.32
    acrylic acid 22.95
    isopropyl myristate 10.92
    n-butyric acid 43.23
    acetyl acetate 24.44
    di(2-ethylhexyl) phthalate 17.38
    ethyl propionate 23.7
    nitromethane 47.21
    1,2-diethoxyethane 23.56
    benzonitrile 35.74
    trioctyl phosphate 12.02
    1-bromopropane 24.37
    gamma-valerolactone 166.03
    n-decanol 7.38
    triethyl phosphate 13.89
    4-methyl-2-pentanol 13.47
    propionitrile 33.13
    vinylene carbonate 47.9
    1,1,2-trichlorotrifluoroethane 61.22
    DMS 29.51
    cumene 9.54
    2-octanol 9.12
    2-hexanone 27.55
    octyl acetate 14.91
    limonene 9.32
    1,2-dimethoxyethane 60.95
    ethyl orthosilicate 14.24
    tributyl phosphate 11.36
    diacetone alcohol 32.79
    N,N-dimethylaniline 25.17
    acrylonitrile 39.79
    aniline 46.68
    1,3-propanediol 30.51
    bromobenzene 39.18
    dibromomethane 35.33
    1,1,2,2-tetrachloroethane 63.52
    2-methyl-cyclohexyl acetate 24.35
    tetrabutyl urea 17.86
    diisobutyl methanol 7.55
    2-phenylethanol 44.38
    styrene 19.04
    dioctyl adipate 19.06
    dimethyl sulfate 40.94
    ethyl butyrate 20.78
    methyl lactate 30.14
    butyl lactate 27.23
    diethyl carbonate 13.88
    propanediol butyl ether 30.44
    triethyl orthoformate 20.18
    p-tert-butyltoluene 8.26
    methyl 4-tert-butylbenzoate 38.24
    morpholine 126.73
    tert-butylamine 8.92
    n-dodecanol 4.36
    dimethoxymethane 96.94
    ethylene carbonate 38.9
    cyrene 48.87
    2-ethoxyethyl acetate 42.15
    2-ethylhexyl acetate 24.06
    1,2,4-trichlorobenzene 46.76
    4-methylpyridine 83.85
    dibutyl ether 7.83
    2,6-dimethyl-4-heptanol 7.55
    DEF 56.91
    dimethyl isosorbide 61.05
    tetrachloroethylene 40.47
    eugenol 41.52
    triacetin 31.36
    span 80 29.9
    1,4-butanediol 11.71
    1,1-dichloroethane 32.76
    2-methyl-1-pentanol 19.99
    methyl formate 25.93
    2-methyl-1-butanol 25.81
    n-decane 0.62
    butyronitrile 32.23
    3,7-dimethyl-1-octanol 9.84
    1-chlorooctane 4.51
    1-chlorotetradecane 1.36
    n-nonane 0.45
    undecane 0.37
    tert-butylcyclohexane 1.28
    cyclooctane 0.88
    cyclopentanol 33.92
    tetrahydropyran 75.5
    tert-amyl methyl ether 13.99
    2,5,8-trioxanonane 44.19
    1-hexene 6.81
    2-isopropoxyethanol 30.51
    2,2,2-trifluoroethanol 12.64
    methyl butyrate 27.15

    Scent© AI

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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