Olean-12-ene-3beta,22alpha,28-triol

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  • Identifiers

    CAS number
    20475-26-7

    Molecular formula
    C30H50O3

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

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  • Odor profile

    Fragrance
    Woody 87.92%
    Amber 58.12%
    Sweet 50.64%
    Dry 50.1%
    Cedar 49.82%
    Sandalwood 49.54%
    Balsamic 48.86%
    Musk 43.16%
    Camphoreous 42.26%
    Earthy 40.97%

     

    Flavor
    Woody 71.08%
    Sweet 56.27%
    Camphor 55.41%
    Pine 54.89%
    Balsam 48.79%
    Earthy 48.39%
    Herbal 45.94%
    Spicy 41.15%
    Earth 38.25%
    Dry 37.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.0

    pKa est.
    7.01 (neutral)

    Molecular weight
    458.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    106°C

    Flash point

    • 265.6 ˚C est.

  • Synonyms

    • 22alpha-Hydroxyerythrodiol
    • Olean-12-ene-3beta,22alpha,28-triol
    • CHEBI:191761
    • DTXSID201287548
    • 20475-26-7
    • Olean-12-ene-3,22,28-triol, (3I(2),22I+/-)-
    • (3S,4aR,6aR,6bS,8aR,9S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
    • 20475-26-7

  • Applications

    Olean-12-ene-3beta,22alpha,28-triol (CAS 20475-26-7) can be used primarily as a semi-synthetic intermediate for the preparation of other oleanane-type triterpenoids, serving as a starting material in organic synthesis for functionalized derivatives. In cosmetics/personal care, it may be evaluated as a natural skin-conditioning ingredient or as an odor-related intermediate for fragrance formulations. In perfumery, it may be incorporated as a fragrance ingredient or odor-active intermediate and potentially as a fixative in complex blends. In pharmaceutical and medicinal chemistry, it is often explored as a scaffold for developing triterpene-based leads. In polymer and coatings applications, it may serve as a building block to synthesize functionalized derivatives that find use as additives or performance modifiers for polymers, coatings, or inks. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.64
    methanol 4.03
    isopropanol 3.43
    water 0.01
    ethyl acetate 4.61
    n-propanol 7.12
    acetone 4.49
    n-butanol 6.87
    acetonitrile 1.25
    DMF 28.84
    toluene 5.91
    isobutanol 4.74
    1,4-dioxane 21.5
    methyl acetate 3.55
    THF 44.5
    2-butanone 6.5
    n-pentanol 5.36
    sec-butanol 2.74
    n-hexane 0.27
    ethylene glycol 0.54
    NMP 25.02
    cyclohexane 0.25
    DMSO 8.11
    n-butyl acetate 5.47
    n-octanol 3.9
    chloroform 12.89
    n-propyl acetate 3.57
    acetic acid 3.4
    dichloromethane 6.54
    cyclohexanone 11.04
    propylene glycol 1.51
    isopropyl acetate 4.93
    DMAc 23.59
    2-ethoxyethanol 11.0
    isopentanol 5.01
    n-heptane 0.35
    ethyl formate 2.12
    1,2-dichloroethane 4.15
    n-hexanol 6.25
    2-methoxyethanol 15.17
    isobutyl acetate 3.96
    tetrachloromethane 1.92
    n-pentyl acetate 8.83
    transcutol 33.87
    n-heptanol 7.16
    ethylbenzene 2.77
    MIBK 5.95
    2-propoxyethanol 28.2
    tert-butanol 2.88
    MTBE 4.07
    2-butoxyethanol 21.29
    propionic acid 3.13
    o-xylene 2.98
    formic acid 1.58
    diethyl ether 5.69
    m-xylene 4.48
    p-xylene 2.74
    chlorobenzene 5.0
    dimethyl carbonate 4.77
    n-octane 0.12
    formamide 2.25
    cyclopentanone 16.83
    2-pentanone 7.04
    anisole 8.4
    cyclopentyl methyl ether 12.41
    gamma-butyrolactone 13.41
    1-methoxy-2-propanol 19.54
    pyridine 15.95
    3-pentanone 5.39
    furfural 12.46
    n-dodecane 0.05
    diethylene glycol 10.87
    diisopropyl ether 1.73
    tert-amyl alcohol 2.52
    acetylacetone 8.38
    n-hexadecane 0.07
    acetophenone 7.28
    methyl propionate 6.53
    isopentyl acetate 6.84
    trichloroethylene 11.84
    n-nonanol 4.62
    cyclohexanol 3.53
    benzyl alcohol 7.23
    2-ethylhexanol 3.8
    isooctanol 5.75
    dipropyl ether 5.75
    1,2-dichlorobenzene 4.55
    ethyl lactate 3.61
    propylene carbonate 5.7
    n-methylformamide 5.95
    2-pentanol 3.11
    n-pentane 0.27
    1-propoxy-2-propanol 20.16
    1-methoxy-2-propyl acetate 15.19
    2-(2-methoxypropoxy) propanol 13.83
    mesitylene 2.26
    ε-caprolactone 10.89
    p-cymene 2.46
    epichlorohydrin 17.6
    1,1,1-trichloroethane 3.59
    2-aminoethanol 2.65
    morpholine-4-carbaldehyde 35.04
    sulfolane 16.71
    2,2,4-trimethylpentane 0.23
    2-methyltetrahydrofuran 11.55
    n-hexyl acetate 8.92
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 20.49
    sec-butyl acetate 3.25
    tert-butyl acetate 6.75
    decalin 0.31
    glycerin 3.22
    diglyme 33.93
    acrylic acid 3.0
    isopropyl myristate 2.51
    n-butyric acid 5.8
    acetyl acetate 3.62
    di(2-ethylhexyl) phthalate 4.87
    ethyl propionate 3.87
    nitromethane 5.47
    1,2-diethoxyethane 8.72
    benzonitrile 4.37
    trioctyl phosphate 3.29
    1-bromopropane 2.45
    gamma-valerolactone 30.95
    n-decanol 2.29
    triethyl phosphate 3.35
    4-methyl-2-pentanol 2.84
    propionitrile 2.43
    vinylene carbonate 6.52
    1,1,2-trichlorotrifluoroethane 13.09
    DMS 6.24
    cumene 2.04
    2-octanol 3.05
    2-hexanone 4.92
    octyl acetate 3.77
    limonene 2.7
    1,2-dimethoxyethane 16.61
    ethyl orthosilicate 3.94
    tributyl phosphate 2.63
    diacetone alcohol 9.17
    N,N-dimethylaniline 6.89
    acrylonitrile 3.07
    aniline 6.95
    1,3-propanediol 5.41
    bromobenzene 4.78
    dibromomethane 4.19
    1,1,2,2-tetrachloroethane 9.31
    2-methyl-cyclohexyl acetate 5.81
    tetrabutyl urea 4.13
    diisobutyl methanol 2.46
    2-phenylethanol 9.89
    styrene 2.9
    dioctyl adipate 4.98
    dimethyl sulfate 8.02
    ethyl butyrate 4.67
    methyl lactate 5.69
    butyl lactate 9.23
    diethyl carbonate 2.75
    propanediol butyl ether 13.95
    triethyl orthoformate 5.84
    p-tert-butyltoluene 2.61
    methyl 4-tert-butylbenzoate 13.56
    morpholine 29.08
    tert-butylamine 1.54
    n-dodecanol 1.1
    dimethoxymethane 25.77
    ethylene carbonate 5.13
    cyrene 14.25
    2-ethoxyethyl acetate 14.32
    2-ethylhexyl acetate 5.55
    1,2,4-trichlorobenzene 6.8
    4-methylpyridine 11.51
    dibutyl ether 2.26
    2,6-dimethyl-4-heptanol 2.46
    DEF 9.63
    dimethyl isosorbide 23.11
    tetrachloroethylene 6.83
    eugenol 14.77
    triacetin 9.29
    span 80 12.39
    1,4-butanediol 2.12
    1,1-dichloroethane 3.24
    2-methyl-1-pentanol 3.97
    methyl formate 3.64
    2-methyl-1-butanol 4.63
    n-decane 0.17
    butyronitrile 2.75
    3,7-dimethyl-1-octanol 3.35
    1-chlorooctane 1.08
    1-chlorotetradecane 0.23
    n-nonane 0.14
    undecane 0.08
    tert-butylcyclohexane 0.34
    cyclooctane 0.18
    cyclopentanol 4.41
    tetrahydropyran 11.92
    tert-amyl methyl ether 3.45
    2,5,8-trioxanonane 19.64
    1-hexene 1.14
    2-isopropoxyethanol 8.18
    2,2,2-trifluoroethanol 1.63
    methyl butyrate 4.49

    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