Olean-13(18)-ene-3beta,16beta,28-triol

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  • Identifiers

    CAS number
    26540-64-7

    Molecular formula
    C30H50O3

    SMILES
    C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CCC4=C5CC(CC[C@@]5([C@H](C[C@]43C)O)CO)(C)C)C)(C)C)O

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  • Odor profile

    Fragrance
    Woody 89.28%
    Amber 63.46%
    Dry 53.51%
    Cedar 50.66%
    Musk 50.47%
    Sandalwood 49.26%
    Balsamic 43.25%
    Sweet 43.0%
    Earthy 39.42%
    Camphoreous 37.35%

     

    Flavor
    Woody 68.85%
    Camphor 53.89%
    Pine 52.09%
    Sweet 51.57%
    Earthy 46.38%
    Balsam 45.19%
    Herbal 40.63%
    Spicy 37.4%
    Earth 36.91%
    Dry 36.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.7

    pKa est.
    7.26 (neutral)

    Molecular weight
    458.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    126°C

    Flash point

    • 258.13 ˚C est.

  • Synonyms

    • Olean-13(18)-ene-3beta,16beta,28-triol
    • DTXSID901269167
    • Olean-13(18)-ene-3,16,28-triol, (3I(2),16I(2))-
    • 26540-64-7
    • 26540-64-7

  • Applications

    Olean-13(18)-ene-3beta,16beta,28-triol (CAS 26540-64-7) is primarily used as a synthetic intermediate in the preparation of other oleanane-type triterpenoids and related fine chemicals. It is commonly evaluated as a chiral building block for medicinal chemistry and agrochemical exploration, and may serve as a precursor for fragrance and cosmetic derivatives due to its polyhydroxylated, rigid triterpene scaffold. In addition, the compound can function as a starting material for polymer or coating applications when converted to polyol-type derivatives, and is sometimes used as a reference standard in analytical work. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.66
    methanol 4.29
    isopropanol 3.27
    water 0.01
    ethyl acetate 3.68
    n-propanol 6.48
    acetone 4.31
    n-butanol 5.74
    acetonitrile 1.26
    DMF 27.4
    toluene 4.36
    isobutanol 4.01
    1,4-dioxane 17.14
    methyl acetate 2.99
    THF 39.08
    2-butanone 5.55
    n-pentanol 4.15
    sec-butanol 2.06
    n-hexane 0.15
    ethylene glycol 0.65
    NMP 21.95
    cyclohexane 0.14
    DMSO 8.12
    n-butyl acetate 4.51
    n-octanol 2.86
    chloroform 11.18
    n-propyl acetate 3.08
    acetic acid 3.47
    dichloromethane 5.71
    cyclohexanone 9.23
    propylene glycol 1.59
    isopropyl acetate 3.96
    DMAc 20.0
    2-ethoxyethanol 9.86
    isopentanol 3.96
    n-heptane 0.2
    ethyl formate 2.0
    1,2-dichloroethane 3.5
    n-hexanol 4.68
    2-methoxyethanol 14.02
    isobutyl acetate 3.33
    tetrachloromethane 1.56
    n-pentyl acetate 7.29
    transcutol 24.67
    n-heptanol 5.54
    ethylbenzene 2.01
    MIBK 4.73
    2-propoxyethanol 23.78
    tert-butanol 2.42
    MTBE 2.8
    2-butoxyethanol 18.61
    propionic acid 2.97
    o-xylene 2.12
    formic acid 1.67
    diethyl ether 3.8
    m-xylene 3.27
    p-xylene 2.11
    chlorobenzene 4.34
    dimethyl carbonate 4.29
    n-octane 0.08
    formamide 2.41
    cyclopentanone 15.43
    2-pentanone 5.61
    anisole 6.78
    cyclopentyl methyl ether 8.73
    gamma-butyrolactone 12.79
    1-methoxy-2-propanol 17.02
    pyridine 14.39
    3-pentanone 4.01
    furfural 12.24
    n-dodecane 0.03
    diethylene glycol 10.38
    diisopropyl ether 1.1
    tert-amyl alcohol 1.89
    acetylacetone 7.16
    n-hexadecane 0.04
    acetophenone 6.45
    methyl propionate 5.39
    isopentyl acetate 5.55
    trichloroethylene 10.58
    n-nonanol 3.32
    cyclohexanol 2.55
    benzyl alcohol 6.56
    2-ethylhexanol 2.71
    isooctanol 4.4
    dipropyl ether 3.94
    1,2-dichlorobenzene 4.03
    ethyl lactate 3.27
    propylene carbonate 5.39
    n-methylformamide 6.06
    2-pentanol 2.21
    n-pentane 0.15
    1-propoxy-2-propanol 16.6
    1-methoxy-2-propyl acetate 12.61
    2-(2-methoxypropoxy) propanol 11.09
    mesitylene 1.59
    ε-caprolactone 8.8
    p-cymene 1.84
    epichlorohydrin 16.27
    1,1,1-trichloroethane 3.03
    2-aminoethanol 2.88
    morpholine-4-carbaldehyde 30.78
    sulfolane 16.2
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 8.66
    n-hexyl acetate 7.03
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 16.16
    sec-butyl acetate 2.59
    tert-butyl acetate 5.33
    decalin 0.18
    glycerin 3.36
    diglyme 27.88
    acrylic acid 3.06
    isopropyl myristate 1.8
    n-butyric acid 5.07
    acetyl acetate 3.11
    di(2-ethylhexyl) phthalate 4.16
    ethyl propionate 3.16
    nitromethane 5.55
    1,2-diethoxyethane 6.27
    benzonitrile 4.1
    trioctyl phosphate 2.63
    1-bromopropane 1.8
    gamma-valerolactone 28.83
    n-decanol 1.56
    triethyl phosphate 2.79
    4-methyl-2-pentanol 2.04
    propionitrile 2.23
    vinylene carbonate 6.31
    1,1,2-trichlorotrifluoroethane 12.85
    DMS 5.44
    cumene 1.47
    2-octanol 2.26
    2-hexanone 3.99
    octyl acetate 2.81
    limonene 1.84
    1,2-dimethoxyethane 14.35
    ethyl orthosilicate 3.14
    tributyl phosphate 2.09
    diacetone alcohol 7.73
    N,N-dimethylaniline 5.48
    acrylonitrile 3.09
    aniline 5.77
    1,3-propanediol 5.38
    bromobenzene 3.97
    dibromomethane 3.41
    1,1,2,2-tetrachloroethane 8.02
    2-methyl-cyclohexyl acetate 4.78
    tetrabutyl urea 3.37
    diisobutyl methanol 1.78
    2-phenylethanol 8.68
    styrene 2.16
    dioctyl adipate 3.98
    dimethyl sulfate 7.39
    ethyl butyrate 3.72
    methyl lactate 5.19
    butyl lactate 7.88
    diethyl carbonate 2.3
    propanediol butyl ether 11.99
    triethyl orthoformate 4.56
    p-tert-butyltoluene 1.91
    methyl 4-tert-butylbenzoate 11.86
    morpholine 23.01
    tert-butylamine 1.14
    n-dodecanol 0.72
    dimethoxymethane 22.12
    ethylene carbonate 4.81
    cyrene 12.87
    2-ethoxyethyl acetate 12.02
    2-ethylhexyl acetate 4.33
    1,2,4-trichlorobenzene 6.11
    4-methylpyridine 9.83
    dibutyl ether 1.54
    2,6-dimethyl-4-heptanol 1.78
    DEF 7.34
    dimethyl isosorbide 19.33
    tetrachloroethylene 6.07
    eugenol 13.15
    triacetin 7.85
    span 80 9.85
    1,4-butanediol 2.14
    1,1-dichloroethane 2.69
    2-methyl-1-pentanol 2.96
    methyl formate 3.73
    2-methyl-1-butanol 3.46
    n-decane 0.1
    butyronitrile 2.44
    3,7-dimethyl-1-octanol 2.4
    1-chlorooctane 0.74
    1-chlorotetradecane 0.15
    n-nonane 0.09
    undecane 0.05
    tert-butylcyclohexane 0.2
    cyclooctane 0.09
    cyclopentanol 3.7
    tetrahydropyran 8.63
    tert-amyl methyl ether 2.24
    2,5,8-trioxanonane 15.57
    1-hexene 0.74
    2-isopropoxyethanol 6.96
    2,2,2-trifluoroethanol 1.74
    methyl butyrate 3.81

    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