3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid

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  • Identifiers

    CAS number
    114702-59-9

    Molecular formula
    C30H46O5

    SMILES
    C[C@]12CC[C@@H]([C@](C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5=O)(C)C(=O)O)C)C)C)(C)CO)O

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  • Odor profile

    Fragrance
    Woody 78.92%
    Amber 47.41%
    Cedar 45.41%
    Dry 42.36%
    Balsamic 39.24%
    Sandalwood 34.43%
    Camphoreous 33.49%
    Spicy 32.96%
    Musk 30.71%
    Earthy 30.43%

     

    Flavor
    Bitter 52.06%
    Woody 45.34%
    Camphor 38.64%
    Pine 34.22%
    Balsam 31.92%
    Herbal 30.56%
    Spicy 27.18%
    Sweet 27.08%
    Minty 26.82%
    Earthy 24.72%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    6.16 (neutral)

    Molecular weight
    486.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    131°C

    Flash point

    • 292.12 ˚C est.

  • Synonyms

    • 114702-59-9
    • 3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid
    • DTXSID30921471
    • (5xi)-3beta,24-Dihydroxy-22-oxo-18alpha-olean-12-en-29-oic acid
    • 114702-59-9

  • Applications

    3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid (CAS 114702-59-9) is a versatile building block and intermediate in natural product chemistry, providing a route to semi-synthetic derivatives of oleanane-type triterpenoids for pharmaceutical research; it is also explored in cosmetics and personal care as a skin-conditioning active and formulation stabilizer; in materials science it serves as a precursor for functionalized triterpenoid derivatives used in coatings and polymer additives; in agrochemistry it is evaluated as a lead scaffold for plant-protection formulations; and there is interest in its potential antioxidant activity contributing to formulation stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.31
    methanol 27.57
    isopropanol 11.89
    water 0.01
    ethyl acetate 4.29
    n-propanol 21.98
    acetone 7.28
    n-butanol 10.58
    acetonitrile 2.02
    DMF 122.92
    toluene 2.69
    isobutanol 7.63
    1,4-dioxane 39.5
    methyl acetate 4.61
    THF 70.83
    2-butanone 8.39
    n-pentanol 5.38
    sec-butanol 4.84
    n-hexane 0.1
    ethylene glycol 3.39
    NMP 36.91
    cyclohexane 0.12
    DMSO 28.19
    n-butyl acetate 3.34
    n-octanol 1.92
    chloroform 14.87
    n-propyl acetate 2.63
    acetic acid 10.17
    dichloromethane 7.59
    cyclohexanone 11.06
    propylene glycol 7.53
    isopropyl acetate 3.72
    DMAc 44.59
    2-ethoxyethanol 28.46
    isopentanol 4.83
    n-heptane 0.08
    ethyl formate 3.51
    1,2-dichloroethane 4.31
    n-hexanol 5.48
    2-methoxyethanol 70.02
    isobutyl acetate 1.99
    tetrachloromethane 1.41
    n-pentyl acetate 5.03
    transcutol 34.3
    n-heptanol 4.06
    ethylbenzene 1.2
    MIBK 3.87
    2-propoxyethanol 54.44
    tert-butanol 5.36
    MTBE 3.3
    2-butoxyethanol 22.95
    propionic acid 6.04
    o-xylene 1.44
    formic acid 7.12
    diethyl ether 5.13
    m-xylene 1.69
    p-xylene 1.18
    chlorobenzene 2.5
    dimethyl carbonate 7.54
    n-octane 0.04
    formamide 10.1
    cyclopentanone 22.26
    2-pentanone 6.04
    anisole 5.71
    cyclopentyl methyl ether 9.65
    gamma-butyrolactone 21.76
    1-methoxy-2-propanol 54.65
    pyridine 18.25
    3-pentanone 4.0
    furfural 18.37
    n-dodecane 0.02
    diethylene glycol 29.95
    diisopropyl ether 0.85
    tert-amyl alcohol 3.18
    acetylacetone 8.52
    n-hexadecane 0.02
    acetophenone 4.85
    methyl propionate 7.61
    isopentyl acetate 3.36
    trichloroethylene 12.84
    n-nonanol 2.16
    cyclohexanol 3.24
    benzyl alcohol 7.62
    2-ethylhexanol 1.55
    isooctanol 2.66
    dipropyl ether 2.68
    1,2-dichlorobenzene 2.4
    ethyl lactate 3.72
    propylene carbonate 6.57
    n-methylformamide 30.29
    2-pentanol 2.81
    n-pentane 0.12
    1-propoxy-2-propanol 22.65
    1-methoxy-2-propyl acetate 11.76
    2-(2-methoxypropoxy) propanol 10.85
    mesitylene 0.83
    ε-caprolactone 10.41
    p-cymene 0.65
    epichlorohydrin 30.81
    1,1,1-trichloroethane 2.81
    2-aminoethanol 15.69
    morpholine-4-carbaldehyde 72.89
    sulfolane 25.29
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 11.81
    n-hexyl acetate 4.85
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 18.11
    sec-butyl acetate 1.75
    tert-butyl acetate 4.28
    decalin 0.1
    glycerin 14.36
    diglyme 32.73
    acrylic acid 6.66
    isopropyl myristate 0.99
    n-butyric acid 8.78
    acetyl acetate 3.12
    di(2-ethylhexyl) phthalate 2.82
    ethyl propionate 2.52
    nitromethane 15.22
    1,2-diethoxyethane 6.22
    benzonitrile 3.38
    trioctyl phosphate 1.68
    1-bromopropane 1.81
    gamma-valerolactone 58.0
    n-decanol 0.99
    triethyl phosphate 1.77
    4-methyl-2-pentanol 1.77
    propionitrile 3.23
    vinylene carbonate 8.19
    1,1,2-trichlorotrifluoroethane 25.88
    DMS 5.5
    cumene 0.72
    2-octanol 1.53
    2-hexanone 3.58
    octyl acetate 1.72
    limonene 0.73
    1,2-dimethoxyethane 31.27
    ethyl orthosilicate 1.92
    tributyl phosphate 1.31
    diacetone alcohol 8.72
    N,N-dimethylaniline 4.13
    acrylonitrile 5.33
    aniline 5.98
    1,3-propanediol 23.76
    bromobenzene 2.0
    dibromomethane 3.99
    1,1,2,2-tetrachloroethane 11.23
    2-methyl-cyclohexyl acetate 2.79
    tetrabutyl urea 2.29
    diisobutyl methanol 0.92
    2-phenylethanol 8.17
    styrene 1.35
    dioctyl adipate 2.38
    dimethyl sulfate 11.86
    ethyl butyrate 2.3
    methyl lactate 10.57
    butyl lactate 7.27
    diethyl carbonate 1.52
    propanediol butyl ether 16.13
    triethyl orthoformate 2.93
    p-tert-butyltoluene 0.72
    methyl 4-tert-butylbenzoate 8.18
    morpholine 67.6
    tert-butylamine 1.56
    n-dodecanol 0.46
    dimethoxymethane 68.84
    ethylene carbonate 6.15
    cyrene 13.76
    2-ethoxyethyl acetate 11.36
    2-ethylhexyl acetate 2.32
    1,2,4-trichlorobenzene 4.1
    4-methylpyridine 10.41
    dibutyl ether 1.03
    2,6-dimethyl-4-heptanol 0.92
    DEF 10.18
    dimethyl isosorbide 18.68
    tetrachloroethylene 7.62
    eugenol 10.64
    triacetin 6.52
    span 80 9.48
    1,4-butanediol 5.97
    1,1-dichloroethane 3.32
    2-methyl-1-pentanol 2.73
    methyl formate 13.21
    2-methyl-1-butanol 4.37
    n-decane 0.06
    butyronitrile 2.93
    3,7-dimethyl-1-octanol 1.37
    1-chlorooctane 0.43
    1-chlorotetradecane 0.09
    n-nonane 0.05
    undecane 0.03
    tert-butylcyclohexane 0.09
    cyclooctane 0.06
    cyclopentanol 6.71
    tetrahydropyran 14.64
    tert-amyl methyl ether 2.31
    2,5,8-trioxanonane 16.81
    1-hexene 0.53
    2-isopropoxyethanol 12.3
    2,2,2-trifluoroethanol 3.68
    methyl butyrate 3.21

    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