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

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  • Identifiers

    CAS number
    86425-21-0

    Molecular formula
    C30H48O4

    SMILES
    C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@@H]([C@]5(C)CO)O)C)C)[C@H]1CC(CC2)(C)C(=O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 83.26%
    Amber 56.47%
    Dry 49.31%
    Sandalwood 46.72%
    Cedar 46.62%
    Balsamic 43.51%
    Musk 41.31%
    Vetiver 33.4%
    Animal 32.48%
    Spicy 30.84%

     

    Flavor
    Woody 58.23%
    Camphor 44.51%
    Pine 43.95%
    Sweet 42.04%
    Balsam 41.08%
    Earthy 36.94%
    Herbal 36.29%
    Spicy 31.59%
    Bitter 31.22%
    Earth 30.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.8

    pKa est.
    6.4 (neutral)

    Molecular weight
    472.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    205°C

    Flash point

    • 287.18 ˚C est.

  • Synonyms

    • 86425-21-0
    • Olean-12-en-29-oic acid, 3,23-dihydroxy-, (3beta,4beta,20alpha)-
    • SCHEMBL31040450
    • DTXSID501006824
    • 3,23-Dihydroxyolean-12-en-29-oic acid
    • (5xi)-3beta,24-Dihydroxy-18alpha-olean-12-en-29-oic acid
    • 86425-21-0

  • Applications

    Olean-12-en-29-oic acid, 3,23-dihydroxy-, (3beta,4beta,20alpha)- (CAS 86425-21-0) is mainly used as a building block in the synthesis of triterpenoid derivatives for cosmetics and pharmaceutical research; it is commonly evaluated as an intermediate for semi-synthetic actives and functional materials. It can also serve as a bio-based scaffold for polymers and coatings, where the dihydroxy functionality enables chemical modification or crosslinking, and it is studied as a starting point in agricultural chemical research for structure–activity exploration. In industrial manufacturing contexts, it may act as a precursor for specialty chemicals and formulation components, subject to local regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.81
    methanol 14.36
    isopropanol 9.87
    water 0.01
    ethyl acetate 3.97
    n-propanol 17.11
    acetone 6.12
    n-butanol 10.49
    acetonitrile 1.46
    DMF 74.55
    toluene 3.71
    isobutanol 7.62
    1,4-dioxane 32.66
    methyl acetate 3.69
    THF 61.03
    2-butanone 7.4
    n-pentanol 6.14
    sec-butanol 4.5
    n-hexane 0.16
    ethylene glycol 1.55
    NMP 23.74
    cyclohexane 0.17
    DMSO 16.55
    n-butyl acetate 4.07
    n-octanol 3.07
    chloroform 12.45
    n-propyl acetate 2.85
    acetic acid 5.39
    dichloromethane 5.89
    cyclohexanone 10.32
    propylene glycol 4.09
    isopropyl acetate 4.06
    DMAc 31.29
    2-ethoxyethanol 19.67
    isopentanol 5.62
    n-heptane 0.16
    ethyl formate 2.56
    1,2-dichloroethane 3.73
    n-hexanol 6.99
    2-methoxyethanol 40.01
    isobutyl acetate 2.61
    tetrachloromethane 1.48
    n-pentyl acetate 6.96
    transcutol 37.19
    n-heptanol 5.96
    ethylbenzene 1.72
    MIBK 4.73
    2-propoxyethanol 46.82
    tert-butanol 5.32
    MTBE 4.14
    2-butoxyethanol 25.22
    propionic acid 4.19
    o-xylene 1.96
    formic acid 3.15
    diethyl ether 5.65
    m-xylene 2.7
    p-xylene 1.65
    chlorobenzene 2.99
    dimethyl carbonate 5.4
    n-octane 0.08
    formamide 4.65
    cyclopentanone 17.95
    2-pentanone 6.42
    anisole 6.19
    cyclopentyl methyl ether 10.21
    gamma-butyrolactone 14.91
    1-methoxy-2-propanol 40.49
    pyridine 15.68
    3-pentanone 4.28
    furfural 13.04
    n-dodecane 0.03
    diethylene glycol 20.49
    diisopropyl ether 1.22
    tert-amyl alcohol 3.39
    acetylacetone 7.82
    n-hexadecane 0.04
    acetophenone 5.38
    methyl propionate 6.4
    isopentyl acetate 4.68
    trichloroethylene 10.57
    n-nonanol 3.44
    cyclohexanol 3.54
    benzyl alcohol 7.45
    2-ethylhexanol 2.32
    isooctanol 4.29
    dipropyl ether 3.76
    1,2-dichlorobenzene 2.78
    ethyl lactate 3.42
    propylene carbonate 5.09
    n-methylformamide 15.07
    2-pentanol 3.44
    n-pentane 0.19
    1-propoxy-2-propanol 24.88
    1-methoxy-2-propyl acetate 13.19
    2-(2-methoxypropoxy) propanol 13.0
    mesitylene 1.41
    ε-caprolactone 9.39
    p-cymene 1.18
    epichlorohydrin 21.58
    1,1,1-trichloroethane 2.76
    2-aminoethanol 8.12
    morpholine-4-carbaldehyde 48.35
    sulfolane 17.44
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 11.02
    n-hexyl acetate 6.84
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 21.2
    sec-butyl acetate 2.14
    tert-butyl acetate 5.1
    decalin 0.16
    glycerin 7.74
    diglyme 34.5
    acrylic acid 4.14
    isopropyl myristate 1.59
    n-butyric acid 7.27
    acetyl acetate 2.88
    di(2-ethylhexyl) phthalate 3.78
    ethyl propionate 2.72
    nitromethane 8.16
    1,2-diethoxyethane 7.76
    benzonitrile 3.43
    trioctyl phosphate 2.43
    1-bromopropane 1.96
    gamma-valerolactone 40.41
    n-decanol 1.62
    triethyl phosphate 2.09
    4-methyl-2-pentanol 2.53
    propionitrile 2.63
    vinylene carbonate 6.1
    1,1,2-trichlorotrifluoroethane 17.17
    DMS 5.62
    cumene 1.12
    2-octanol 2.48
    2-hexanone 4.09
    octyl acetate 2.58
    limonene 1.29
    1,2-dimethoxyethane 24.06
    ethyl orthosilicate 2.43
    tributyl phosphate 1.81
    diacetone alcohol 9.15
    N,N-dimethylaniline 4.91
    acrylonitrile 3.72
    aniline 6.11
    1,3-propanediol 14.33
    bromobenzene 2.54
    dibromomethane 3.57
    1,1,2,2-tetrachloroethane 9.74
    2-methyl-cyclohexyl acetate 3.68
    tetrabutyl urea 3.06
    diisobutyl methanol 1.53
    2-phenylethanol 9.26
    styrene 1.8
    dioctyl adipate 3.33
    dimethyl sulfate 8.16
    ethyl butyrate 2.86
    methyl lactate 7.78
    butyl lactate 8.92
    diethyl carbonate 1.69
    propanediol butyl ether 17.65
    triethyl orthoformate 3.78
    p-tert-butyltoluene 1.32
    methyl 4-tert-butylbenzoate 10.61
    morpholine 50.98
    tert-butylamine 2.0
    n-dodecanol 0.74
    dimethoxymethane 48.62
    ethylene carbonate 4.76
    cyrene 12.65
    2-ethoxyethyl acetate 13.25
    2-ethylhexyl acetate 3.25
    1,2,4-trichlorobenzene 4.46
    4-methylpyridine 9.77
    dibutyl ether 1.56
    2,6-dimethyl-4-heptanol 1.53
    DEF 8.86
    dimethyl isosorbide 20.09
    tetrachloroethylene 6.81
    eugenol 12.6
    triacetin 7.31
    span 80 11.4
    1,4-butanediol 4.28
    1,1-dichloroethane 3.08
    2-methyl-1-pentanol 3.42
    methyl formate 7.04
    2-methyl-1-butanol 5.02
    n-decane 0.11
    butyronitrile 2.78
    3,7-dimethyl-1-octanol 2.29
    1-chlorooctane 0.67
    1-chlorotetradecane 0.14
    n-nonane 0.09
    undecane 0.05
    tert-butylcyclohexane 0.16
    cyclooctane 0.1
    cyclopentanol 5.82
    tetrahydropyran 14.01
    tert-amyl methyl ether 2.88
    2,5,8-trioxanonane 18.53
    1-hexene 0.75
    2-isopropoxyethanol 10.88
    2,2,2-trifluoroethanol 2.21
    methyl butyrate 3.36

    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