3beta,21alpha-Dihydroxy-18alpha-18,29-epoxyolean-12-ene-11,29-dione

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  • Identifiers

    CAS number
    18184-25-3

    Molecular formula
    C30H44O5

    SMILES
    C[C@@]12CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@]16C[C@@]([C@@H](C2)O)(C(=O)O6)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 76.69%
    Cedar 46.94%
    Amber 44.46%
    Dry 40.48%
    Spicy 38.44%
    Camphoreous 37.19%
    Tobacco 33.57%
    Earthy 32.73%
    Musk 30.68%
    Balsamic 30.47%

     

    Flavor
    Bitter 76.46%
    Camphor 39.39%
    Woody 37.7%
    Pine 30.42%
    Herbal 26.17%
    Minty 25.47%
    Cedarleaf 24.06%
    Ripe apricot 23.89%
    Red fruit 23.31%
    Patchouli 23.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    6.23 (neutral)

    Molecular weight
    484.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    154°C

    Flash point

    • 248.77 ˚C est.

  • Synonyms

    • DTXSID101146137
    • 3beta,21alpha-Dihydroxy-18alpha-18,29-epoxyolean-12-ene-11,29-dione
    • 18184-25-3
    • 18I+/--Olean-12-en-29-oic acid, 3I(2),18,21I+/--trihydroxy-11-oxo-, I(3)-lactone, (-)-
    • 18184-25-3

  • Applications

    3beta,21alpha-Dihydroxy-18alpha-18,29-epoxyolean-12-ene-11,29-dione (CAS 18184-25-3) is commonly used as an intermediate or building block in the synthesis of oleanane-type triterpenoid and steroid derivatives, with potential applications in pharmaceutical research and development; it is also evaluated for cosmetic/personal care formulations as a bioactive scaffold or ingredient; in agrochemical research it may serve as a lead structure for triterpenoid-based agrochemicals; in materials science and coatings it can function as a chiral building block for specialty polymers or coating additives; and it may find roles in general chemical synthesis as a versatile intermediate, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 45.2
    methanol 37.25
    isopropanol 48.38
    water 0.03
    ethyl acetate 28.61
    n-propanol 67.01
    acetone 52.08
    n-butanol 49.3
    acetonitrile 23.83
    DMF 270.74
    toluene 26.29
    isobutanol 37.37
    1,4-dioxane 111.81
    methyl acetate 29.68
    THF 264.74
    2-butanone 53.0
    n-pentanol 31.18
    sec-butanol 23.1
    n-hexane 0.76
    ethylene glycol 8.17
    NMP 152.4
    cyclohexane 1.26
    DMSO 111.56
    n-butyl acetate 21.58
    n-octanol 9.4
    chloroform 88.12
    n-propyl acetate 18.67
    acetic acid 48.85
    dichloromethane 47.53
    cyclohexanone 83.09
    propylene glycol 15.53
    isopropyl acetate 23.75
    DMAc 139.83
    2-ethoxyethanol 57.96
    isopentanol 26.66
    n-heptane 0.52
    ethyl formate 21.98
    1,2-dichloroethane 31.16
    n-hexanol 29.85
    2-methoxyethanol 108.5
    isobutyl acetate 16.1
    tetrachloromethane 11.5
    n-pentyl acetate 23.73
    transcutol 54.16
    n-heptanol 16.73
    ethylbenzene 9.31
    MIBK 26.51
    2-propoxyethanol 109.78
    tert-butanol 22.72
    MTBE 14.15
    2-butoxyethanol 50.78
    propionic acid 30.56
    o-xylene 11.09
    formic acid 20.14
    diethyl ether 29.28
    m-xylene 13.91
    p-xylene 11.11
    chlorobenzene 27.98
    dimethyl carbonate 33.6
    n-octane 0.22
    formamide 31.8
    cyclopentanone 139.32
    2-pentanone 45.32
    anisole 24.69
    cyclopentyl methyl ether 50.86
    gamma-butyrolactone 125.54
    1-methoxy-2-propanol 105.99
    pyridine 93.35
    3-pentanone 33.8
    furfural 81.2
    n-dodecane 0.16
    diethylene glycol 62.62
    diisopropyl ether 5.75
    tert-amyl alcohol 13.17
    acetylacetone 45.95
    n-hexadecane 0.2
    acetophenone 28.52
    methyl propionate 42.31
    isopentyl acetate 22.23
    trichloroethylene 74.12
    n-nonanol 10.51
    cyclohexanol 23.28
    benzyl alcohol 32.47
    2-ethylhexanol 11.2
    isooctanol 12.34
    dipropyl ether 12.34
    1,2-dichlorobenzene 22.42
    ethyl lactate 17.35
    propylene carbonate 41.65
    n-methylformamide 84.89
    2-pentanol 18.88
    n-pentane 0.92
    1-propoxy-2-propanol 54.44
    1-methoxy-2-propyl acetate 42.44
    2-(2-methoxypropoxy) propanol 27.37
    mesitylene 6.5
    ε-caprolactone 63.46
    p-cymene 5.2
    epichlorohydrin 130.52
    1,1,1-trichloroethane 27.13
    2-aminoethanol 29.77
    morpholine-4-carbaldehyde 174.28
    sulfolane 124.78
    2,2,4-trimethylpentane 0.46
    2-methyltetrahydrofuran 65.64
    n-hexyl acetate 24.45
    isooctane 0.45
    2-(2-butoxyethoxy)ethanol 39.89
    sec-butyl acetate 13.34
    tert-butyl acetate 22.23
    decalin 0.84
    glycerin 28.46
    diglyme 69.01
    acrylic acid 32.22
    isopropyl myristate 7.76
    n-butyric acid 45.91
    acetyl acetate 21.77
    di(2-ethylhexyl) phthalate 13.77
    ethyl propionate 17.98
    nitromethane 73.28
    1,2-diethoxyethane 20.11
    benzonitrile 29.82
    trioctyl phosphate 10.29
    1-bromopropane 18.67
    gamma-valerolactone 193.44
    n-decanol 5.85
    triethyl phosphate 10.08
    4-methyl-2-pentanol 10.85
    propionitrile 34.4
    vinylene carbonate 48.34
    1,1,2-trichlorotrifluoroethane 73.88
    DMS 24.22
    cumene 5.59
    2-octanol 7.42
    2-hexanone 25.6
    octyl acetate 11.65
    limonene 6.12
    1,2-dimethoxyethane 76.4
    ethyl orthosilicate 9.55
    tributyl phosphate 9.15
    diacetone alcohol 33.07
    N,N-dimethylaniline 17.45
    acrylonitrile 43.35
    aniline 36.47
    1,3-propanediol 52.95
    bromobenzene 25.09
    dibromomethane 32.05
    1,1,2,2-tetrachloroethane 59.31
    2-methyl-cyclohexyl acetate 18.27
    tetrabutyl urea 14.4
    diisobutyl methanol 5.41
    2-phenylethanol 36.3
    styrene 11.18
    dioctyl adipate 14.36
    dimethyl sulfate 49.41
    ethyl butyrate 15.09
    methyl lactate 36.15
    butyl lactate 24.53
    diethyl carbonate 10.17
    propanediol butyl ether 34.7
    triethyl orthoformate 14.02
    p-tert-butyltoluene 5.16
    methyl 4-tert-butylbenzoate 29.16
    morpholine 162.0
    tert-butylamine 9.04
    n-dodecanol 3.36
    dimethoxymethane 144.08
    ethylene carbonate 39.08
    cyrene 47.01
    2-ethoxyethyl acetate 37.4
    2-ethylhexyl acetate 17.4
    1,2,4-trichlorobenzene 32.51
    4-methylpyridine 68.81
    dibutyl ether 5.43
    2,6-dimethyl-4-heptanol 5.41
    DEF 52.31
    dimethyl isosorbide 51.67
    tetrachloroethylene 39.29
    eugenol 32.69
    triacetin 24.64
    span 80 27.33
    1,4-butanediol 20.66
    1,1-dichloroethane 30.26
    2-methyl-1-pentanol 17.52
    methyl formate 50.45
    2-methyl-1-butanol 24.28
    n-decane 0.41
    butyronitrile 30.48
    3,7-dimethyl-1-octanol 7.57
    1-chlorooctane 3.03
    1-chlorotetradecane 0.86
    n-nonane 0.31
    undecane 0.24
    tert-butylcyclohexane 0.71
    cyclooctane 0.46
    cyclopentanol 41.53
    tetrahydropyran 76.38
    tert-amyl methyl ether 10.56
    2,5,8-trioxanonane 40.7
    1-hexene 4.42
    2-isopropoxyethanol 33.63
    2,2,2-trifluoroethanol 19.98
    methyl butyrate 22.83

    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