(2beta,3beta,4alpha,6beta)-2,3,6,23-Tetrahydroxyolean-12-en-28-oic acid

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  • Identifiers

    CAS number
    37905-13-8

    Molecular formula
    C30H48O6

    SMILES
    C[C@@]12CC[C@]3(CCC(C[C@H]3C1=CC[C@H]4[C@]2(C[C@H]([C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O)O)C)O)C)(C)C)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 67.29%
    Amber 42.0%
    Balsamic 41.16%
    Spicy 40.79%
    Cedar 36.76%
    Dry 36.09%
    Odorless 31.94%
    Camphoreous 30.47%
    Sandalwood 29.12%
    Herbal 28.34%

     

    Flavor
    Bitter 56.61%
    Woody 36.04%
    Pine 33.25%
    Herbal 31.52%
    Camphor 31.02%
    Balsam 30.07%
    Minty 28.11%
    Sweet 27.17%
    Spicy 24.79%
    Earthy 23.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    5.5 (weak acid)

    Molecular weight
    504.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    191°C

    Flash point

    • 299.87 ˚C est.

  • Synonyms

    • Protobassic acid
    • QP75M67TBU
    • 37905-13-8
    • CHEBI:73086
    • (2beta,3beta,6beta)-2,3,6,23-tetrahydroxyolean-12-en-28-oic acid
    • (4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11S,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • RefChem:176669
    • (2BETA,3BETA,4ALPHA,6BETA)-2,3,6,23-TETRAHYDROXYOLEAN-12-EN-28-OIC ACID
    • PROTOBASSIC-ACID
    • SCHEMBL1048239
    • LMPR0106150035
    • Q27140292
    • (2.BETA.,3.BETA.,4.ALPHA.,6.BETA.)-2,3,6,23-TETRAHYDROXYOLEAN-12-EN-28-OIC ACID
    • OLEAN-12-EN-28-OIC ACID, 2,3,6,23-TETRAHYDROXY-, (2.BETA.,3.BETA.,4.ALPHA.,6.BETA.)-
    • 37905-13-8

  • Applications

    CAS 37905-13-8, (2beta,3beta,4alpha,6beta)-2,3,6,23-Tetrahydroxyolean-12-en-28-oic acid, is an oleanane-type pentacyclic triterpenoid and is commonly used as an intermediate in the synthesis of more complex triterpenoid derivatives for pharmaceutical and cosmetic research; it also serves as a starting material for derivatization (e.g., esterification, glycosylation) in formulation development; it is studied as a bioactive scaffold for cosmetic/skin-care research; and it is evaluated as a functionalized precursor for polymer or coating applications in materials science, with practical use depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.1
    methanol 29.6
    isopropanol 2.85
    water 0.01
    ethyl acetate 1.88
    n-propanol 6.95
    acetone 3.94
    n-butanol 3.08
    acetonitrile 0.84
    DMF 59.67
    toluene 1.14
    isobutanol 2.33
    1,4-dioxane 20.81
    methyl acetate 2.04
    THF 54.73
    2-butanone 3.65
    n-pentanol 2.49
    sec-butanol 1.42
    n-hexane 0.07
    ethylene glycol 2.74
    NMP 31.32
    cyclohexane 0.07
    DMSO 27.6
    n-butyl acetate 1.71
    n-octanol 1.11
    chloroform 3.67
    n-propyl acetate 1.26
    acetic acid 7.25
    dichloromethane 2.53
    cyclohexanone 6.1
    propylene glycol 5.09
    isopropyl acetate 1.43
    DMAc 25.02
    2-ethoxyethanol 16.68
    isopentanol 1.54
    n-heptane 0.06
    ethyl formate 2.12
    1,2-dichloroethane 1.7
    n-hexanol 2.6
    2-methoxyethanol 43.28
    isobutyl acetate 0.92
    tetrachloromethane 0.45
    n-pentyl acetate 2.79
    transcutol 17.14
    n-heptanol 2.34
    ethylbenzene 0.57
    MIBK 1.78
    2-propoxyethanol 28.6
    tert-butanol 1.48
    MTBE 1.09
    2-butoxyethanol 13.46
    propionic acid 2.73
    o-xylene 0.64
    formic acid 8.5
    diethyl ether 2.14
    m-xylene 0.82
    p-xylene 0.55
    chlorobenzene 0.86
    dimethyl carbonate 3.44
    n-octane 0.03
    formamide 8.86
    cyclopentanone 15.86
    2-pentanone 2.75
    anisole 2.3
    cyclopentyl methyl ether 6.05
    gamma-butyrolactone 14.73
    1-methoxy-2-propanol 25.62
    pyridine 9.74
    3-pentanone 1.92
    furfural 11.82
    n-dodecane 0.01
    diethylene glycol 20.38
    diisopropyl ether 0.35
    tert-amyl alcohol 1.05
    acetylacetone 4.42
    n-hexadecane 0.02
    acetophenone 2.46
    methyl propionate 3.39
    isopentyl acetate 1.61
    trichloroethylene 4.38
    n-nonanol 1.19
    cyclohexanol 1.32
    benzyl alcohol 3.83
    2-ethylhexanol 0.84
    isooctanol 1.51
    dipropyl ether 1.43
    1,2-dichlorobenzene 0.8
    ethyl lactate 2.04
    propylene carbonate 3.64
    n-methylformamide 18.21
    2-pentanol 0.92
    n-pentane 0.07
    1-propoxy-2-propanol 11.28
    1-methoxy-2-propyl acetate 6.3
    2-(2-methoxypropoxy) propanol 5.98
    mesitylene 0.41
    ε-caprolactone 5.78
    p-cymene 0.4
    epichlorohydrin 18.05
    1,1,1-trichloroethane 0.73
    2-aminoethanol 10.21
    morpholine-4-carbaldehyde 48.08
    sulfolane 21.97
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 7.04
    n-hexyl acetate 2.65
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 10.79
    sec-butyl acetate 0.76
    tert-butyl acetate 1.78
    decalin 0.06
    glycerin 11.46
    diglyme 19.66
    acrylic acid 3.75
    isopropyl myristate 0.48
    n-butyric acid 3.36
    acetyl acetate 1.27
    di(2-ethylhexyl) phthalate 1.46
    ethyl propionate 1.2
    nitromethane 9.76
    1,2-diethoxyethane 3.3
    benzonitrile 1.48
    trioctyl phosphate 0.92
    1-bromopropane 0.69
    gamma-valerolactone 38.2
    n-decanol 0.55
    triethyl phosphate 0.81
    4-methyl-2-pentanol 0.65
    propionitrile 1.05
    vinylene carbonate 4.36
    1,1,2-trichlorotrifluoroethane 16.48
    DMS 2.43
    cumene 0.39
    2-octanol 0.8
    2-hexanone 1.83
    octyl acetate 0.93
    limonene 0.49
    1,2-dimethoxyethane 16.81
    ethyl orthosilicate 0.88
    tributyl phosphate 0.68
    diacetone alcohol 4.46
    N,N-dimethylaniline 1.97
    acrylonitrile 2.1
    aniline 2.25
    1,3-propanediol 11.05
    bromobenzene 0.68
    dibromomethane 1.35
    1,1,2,2-tetrachloroethane 3.5
    2-methyl-cyclohexyl acetate 1.44
    tetrabutyl urea 1.25
    diisobutyl methanol 0.46
    2-phenylethanol 4.0
    styrene 0.57
    dioctyl adipate 1.16
    dimethyl sulfate 6.31
    ethyl butyrate 1.11
    methyl lactate 5.67
    butyl lactate 3.99
    diethyl carbonate 0.64
    propanediol butyl ether 11.38
    triethyl orthoformate 1.38
    p-tert-butyltoluene 0.42
    methyl 4-tert-butylbenzoate 4.35
    morpholine 32.85
    tert-butylamine 0.44
    n-dodecanol 0.26
    dimethoxymethane 37.02
    ethylene carbonate 3.01
    cyrene 10.13
    2-ethoxyethyl acetate 6.22
    2-ethylhexyl acetate 1.19
    1,2,4-trichlorobenzene 1.36
    4-methylpyridine 4.62
    dibutyl ether 0.52
    2,6-dimethyl-4-heptanol 0.46
    DEF 5.01
    dimethyl isosorbide 11.29
    tetrachloroethylene 3.04
    eugenol 5.76
    triacetin 3.25
    span 80 5.74
    1,4-butanediol 3.39
    1,1-dichloroethane 0.87
    2-methyl-1-pentanol 1.28
    methyl formate 9.99
    2-methyl-1-butanol 1.48
    n-decane 0.04
    butyronitrile 1.01
    3,7-dimethyl-1-octanol 0.76
    1-chlorooctane 0.25
    1-chlorotetradecane 0.05
    n-nonane 0.04
    undecane 0.02
    tert-butylcyclohexane 0.05
    cyclooctane 0.04
    cyclopentanol 3.19
    tetrahydropyran 6.33
    tert-amyl methyl ether 0.96
    2,5,8-trioxanonane 9.53
    1-hexene 0.3
    2-isopropoxyethanol 6.62
    2,2,2-trifluoroethanol 1.99
    methyl butyrate 1.64

    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