Olean-12-en-29-oic acid, 3,21,23-trihydroxy-, (3beta,4beta,20alpha,21alpha)-

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  • Identifiers

    CAS number
    20528-70-5

    Molecular formula
    C30H48O5

    SMILES
    C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O)C)C)[C@@H]1C[C@]([C@@H](C2)O)(C)C(=O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 78.86%
    Amber 51.0%
    Balsamic 44.95%
    Dry 44.14%
    Cedar 43.18%
    Sandalwood 42.75%
    Spicy 35.48%
    Sweet 35.38%
    Musk 34.76%
    Camphoreous 32.79%

     

    Flavor
    Woody 51.26%
    Bitter 43.75%
    Pine 41.7%
    Camphor 40.83%
    Balsam 37.42%
    Herbal 36.39%
    Sweet 35.9%
    Earthy 31.57%
    Spicy 28.31%
    Earth 27.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.2

    pKa est.
    6.01 (neutral)

    Molecular weight
    488.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    137°C

    Flash point

    • 297.15 ˚C est.

  • Synonyms

    • 20528-70-5
    • Olean-12-en-29-oic acid, 3,21,23-trihydroxy-, (3beta,4beta,20alpha,21alpha)-
    • RefChem:366966
    • Liquiridiolic acid
    • Olean-12-en-29-oic acid, 3,21,23-trihydroxy-, (3|A,4|A,20|A,21|A)-
    • (2S,3R,4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bR)-3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
    • 3beta,21alpha,24-Trihydroxyolean-12-en-29-oic acid
    • orb1680739
    • DTXSID601178967
    • AKOS040763093
    • Olean-12-en-29-oic acid, 3,21,23-trihydroxy-, (3I(2),4I(2),20I+/-,21I+/-)-
    • 20528-70-5

  • Applications

    Olean-12-en-29-oic acid, 3,21,23-trihydroxy-, (3beta,4beta,20alpha,21alpha)- (CAS 20528-70-5) is a polyhydroxylated oleanane-type triterpenoid that is commonly used as an intermediate for the synthesis of more complex triterpenoid derivatives in pharmaceutical and agrochemical research. In cosmetics and personal care, it can function as a bio-based functional ingredient and may serve as a fragrance fixative in perfumery due to its low volatility and rigid structure. In coatings and polymer formulations, it can act as a bio-based building block or additive to modify resin properties and increase the content of natural-origin material. It is also used as a starting point for sapogenin/glycoside derivatives and related bioactive scaffolds studied for agricultural and industrial chemical applications. Applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.93
    methanol 26.25
    isopropanol 7.68
    water 0.01
    ethyl acetate 2.9
    n-propanol 14.66
    acetone 6.15
    n-butanol 7.15
    acetonitrile 1.25
    DMF 80.2
    toluene 2.0
    isobutanol 5.38
    1,4-dioxane 28.93
    methyl acetate 3.08
    THF 66.95
    2-butanone 5.84
    n-pentanol 4.09
    sec-butanol 3.16
    n-hexane 0.11
    ethylene glycol 2.74
    NMP 26.88
    cyclohexane 0.11
    DMSO 28.2
    n-butyl acetate 2.67
    n-octanol 2.0
    chloroform 8.63
    n-propyl acetate 1.94
    acetic acid 7.5
    dichloromethane 4.65
    cyclohexanone 8.21
    propylene glycol 6.24
    isopropyl acetate 2.64
    DMAc 30.38
    2-ethoxyethanol 20.72
    isopentanol 3.47
    n-heptane 0.1
    ethyl formate 2.56
    1,2-dichloroethane 2.93
    n-hexanol 4.67
    2-methoxyethanol 52.76
    isobutyl acetate 1.56
    tetrachloromethane 0.99
    n-pentyl acetate 4.7
    transcutol 29.01
    n-heptanol 4.02
    ethylbenzene 0.93
    MIBK 3.26
    2-propoxyethanol 41.66
    tert-butanol 3.81
    MTBE 2.49
    2-butoxyethanol 20.23
    propionic acid 4.11
    o-xylene 1.1
    formic acid 5.91
    diethyl ether 3.95
    m-xylene 1.51
    p-xylene 0.88
    chlorobenzene 1.62
    dimethyl carbonate 4.97
    n-octane 0.05
    formamide 7.66
    cyclopentanone 17.59
    2-pentanone 4.69
    anisole 3.56
    cyclopentyl methyl ether 8.18
    gamma-butyrolactone 16.06
    1-methoxy-2-propanol 40.49
    pyridine 11.94
    3-pentanone 3.09
    furfural 12.81
    n-dodecane 0.02
    diethylene glycol 25.4
    diisopropyl ether 0.74
    tert-amyl alcohol 2.29
    acetylacetone 6.68
    n-hexadecane 0.03
    acetophenone 3.45
    methyl propionate 5.04
    isopentyl acetate 2.81
    trichloroethylene 7.88
    n-nonanol 2.18
    cyclohexanol 2.46
    benzyl alcohol 5.22
    2-ethylhexanol 1.44
    isooctanol 2.76
    dipropyl ether 2.37
    1,2-dichlorobenzene 1.55
    ethyl lactate 2.79
    propylene carbonate 4.58
    n-methylformamide 20.59
    2-pentanol 2.16
    n-pentane 0.13
    1-propoxy-2-propanol 18.74
    1-methoxy-2-propyl acetate 9.62
    2-(2-methoxypropoxy) propanol 9.6
    mesitylene 0.79
    ε-caprolactone 7.48
    p-cymene 0.66
    epichlorohydrin 22.13
    1,1,1-trichloroethane 1.64
    2-aminoethanol 12.13
    morpholine-4-carbaldehyde 48.28
    sulfolane 21.12
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 9.26
    n-hexyl acetate 4.5
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 16.1
    sec-butyl acetate 1.33
    tert-butyl acetate 3.37
    decalin 0.09
    glycerin 12.28
    diglyme 28.8
    acrylic acid 4.66
    isopropyl myristate 0.91
    n-butyric acid 5.76
    acetyl acetate 2.21
    di(2-ethylhexyl) phthalate 2.45
    ethyl propionate 1.81
    nitromethane 10.5
    1,2-diethoxyethane 5.29
    benzonitrile 2.22
    trioctyl phosphate 1.61
    1-bromopropane 1.27
    gamma-valerolactone 40.71
    n-decanol 0.99
    triethyl phosphate 1.34
    4-methyl-2-pentanol 1.52
    propionitrile 1.88
    vinylene carbonate 5.53
    1,1,2-trichlorotrifluoroethane 19.1
    DMS 3.97
    cumene 0.62
    2-octanol 1.54
    2-hexanone 2.81
    octyl acetate 1.63
    limonene 0.8
    1,2-dimethoxyethane 22.14
    ethyl orthosilicate 1.5
    tributyl phosphate 1.18
    diacetone alcohol 7.16
    N,N-dimethylaniline 2.88
    acrylonitrile 3.12
    aniline 3.8
    1,3-propanediol 17.1
    bromobenzene 1.3
    dibromomethane 2.6
    1,1,2,2-tetrachloroethane 7.2
    2-methyl-cyclohexyl acetate 2.26
    tetrabutyl urea 1.97
    diisobutyl methanol 0.89
    2-phenylethanol 6.2
    styrene 0.92
    dioctyl adipate 2.02
    dimethyl sulfate 8.18
    ethyl butyrate 1.7
    methyl lactate 7.77
    butyl lactate 6.57
    diethyl carbonate 1.02
    propanediol butyl ether 16.06
    triethyl orthoformate 2.3
    p-tert-butyltoluene 0.75
    methyl 4-tert-butylbenzoate 7.18
    morpholine 46.42
    tert-butylamine 1.21
    n-dodecanol 0.45
    dimethoxymethane 49.65
    ethylene carbonate 4.08
    cyrene 11.2
    2-ethoxyethyl acetate 10.0
    2-ethylhexyl acetate 1.96
    1,2,4-trichlorobenzene 2.6
    4-methylpyridine 6.5
    dibutyl ether 0.97
    2,6-dimethyl-4-heptanol 0.89
    DEF 6.77
    dimethyl isosorbide 15.77
    tetrachloroethylene 5.28
    eugenol 8.94
    triacetin 5.38
    span 80 8.77
    1,4-butanediol 4.74
    1,1-dichloroethane 1.93
    2-methyl-1-pentanol 2.16
    methyl formate 9.68
    2-methyl-1-butanol 3.21
    n-decane 0.07
    butyronitrile 1.81
    3,7-dimethyl-1-octanol 1.38
    1-chlorooctane 0.43
    1-chlorotetradecane 0.09
    n-nonane 0.06
    undecane 0.03
    tert-butylcyclohexane 0.1
    cyclooctane 0.07
    cyclopentanol 5.07
    tetrahydropyran 10.07
    tert-amyl methyl ether 1.88
    2,5,8-trioxanonane 14.51
    1-hexene 0.47
    2-isopropoxyethanol 9.18
    2,2,2-trifluoroethanol 2.62
    methyl butyrate 2.34

    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