30-Hydroxy-11-oxo-beta-amyrin

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  • Identifiers

    CAS number
    14226-18-7

    Molecular formula
    C30H48O3

    SMILES
    C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)CO

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  • Odor profile

    Fragrance
    Woody 86.36%
    Amber 58.68%
    Cedar 52.39%
    Dry 51.85%
    Musk 43.33%
    Earthy 39.52%
    Sandalwood 38.27%
    Vetiver 36.45%
    Camphoreous 35.89%
    Spicy 35.33%

     

    Flavor
    Woody 61.45%
    Camphor 50.87%
    Pine 46.77%
    Earthy 39.97%
    Balsam 37.81%
    Bitter 36.4%
    Spicy 36.16%
    Sweet 35.84%
    Herbal 35.66%
    Earth 32.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    7.16 (neutral)

    Molecular weight
    456.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    106°C

    Flash point

    • 257.83 ˚C est.

  • Synonyms

    • 30-hydroxy-11-oxo-beta-amyrin
    • 3beta,30-dihydroxyolean-12-en-11-one
    • CHEBI:71576
    • (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2-(hydroxymethyl)-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-13-one
    • RefChem:1068857
    • Glycyrrhetol
    • CHEMBL4561483
    • olean-12-en-11-oxo-3beta,30-diol
    • (3beta)-3,30-dihydroxyolean-12-en-11-one
    • SCHEMBL4739782
    • DTXSID501318011
    • BDBM50531257
    • C20510
    • Q27139724
    • 14226-18-7
    • 14226-18-7

  • Applications

    Chemical name: 30-Hydroxy-11-oxo-beta-amyrin; CAS number: 14226-18-7 is used in pharmaceutical research as a scaffold for functionalized triterpenoid derivatives; in cosmetics and personal care as a potential starting material for natural-triterpene ingredients; in agriculture as a building block for plant-protection compounds; in industrial manufacturing as an intermediate for the synthesis of functionalized beta-amyrin derivatives that can be used in coatings, adhesives, or polymer formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.49
    methanol 11.03
    isopropanol 20.16
    water 0.01
    ethyl acetate 12.77
    n-propanol 31.06
    acetone 15.87
    n-butanol 25.51
    acetonitrile 4.74
    DMF 118.34
    toluene 19.02
    isobutanol 19.24
    1,4-dioxane 66.9
    methyl acetate 10.35
    THF 129.51
    2-butanone 20.76
    n-pentanol 17.08
    sec-butanol 12.08
    n-hexane 0.64
    ethylene glycol 1.66
    NMP 58.55
    cyclohexane 0.76
    DMSO 23.38
    n-butyl acetate 13.48
    n-octanol 8.35
    chloroform 36.79
    n-propyl acetate 9.26
    acetic acid 10.4
    dichloromethane 17.46
    cyclohexanone 30.29
    propylene glycol 5.42
    isopropyl acetate 13.2
    DMAc 63.26
    2-ethoxyethanol 30.69
    isopentanol 15.76
    n-heptane 0.64
    ethyl formate 6.02
    1,2-dichloroethane 12.41
    n-hexanol 18.74
    2-methoxyethanol 49.03
    isobutyl acetate 9.85
    tetrachloromethane 4.98
    n-pentyl acetate 18.7
    transcutol 70.1
    n-heptanol 14.22
    ethylbenzene 7.96
    MIBK 14.32
    2-propoxyethanol 74.3
    tert-butanol 12.97
    MTBE 11.97
    2-butoxyethanol 41.98
    propionic acid 9.22
    o-xylene 8.53
    formic acid 3.67
    diethyl ether 19.04
    m-xylene 11.83
    p-xylene 7.47
    chlorobenzene 14.11
    dimethyl carbonate 13.36
    n-octane 0.25
    formamide 5.8
    cyclopentanone 47.41
    2-pentanone 20.15
    anisole 20.44
    cyclopentyl methyl ether 32.5
    gamma-butyrolactone 36.5
    1-methoxy-2-propanol 61.13
    pyridine 47.54
    3-pentanone 15.78
    furfural 29.95
    n-dodecane 0.12
    diethylene glycol 26.83
    diisopropyl ether 4.7
    tert-amyl alcohol 8.33
    acetylacetone 20.8
    n-hexadecane 0.15
    acetophenone 17.25
    methyl propionate 18.07
    isopentyl acetate 15.5
    trichloroethylene 31.85
    n-nonanol 9.53
    cyclohexanol 11.77
    benzyl alcohol 20.11
    2-ethylhexanol 8.29
    isooctanol 10.97
    dipropyl ether 12.58
    1,2-dichlorobenzene 12.06
    ethyl lactate 8.96
    propylene carbonate 14.73
    n-methylformamide 21.69
    2-pentanol 11.45
    n-pentane 0.79
    1-propoxy-2-propanol 47.69
    1-methoxy-2-propyl acetate 32.73
    2-(2-methoxypropoxy) propanol 26.06
    mesitylene 5.51
    ε-caprolactone 27.11
    p-cymene 4.92
    epichlorohydrin 49.86
    1,1,1-trichloroethane 11.76
    2-aminoethanol 8.99
    morpholine-4-carbaldehyde 91.39
    sulfolane 39.51
    2,2,4-trimethylpentane 0.49
    2-methyltetrahydrofuran 34.04
    n-hexyl acetate 19.54
    isooctane 0.49
    2-(2-butoxyethoxy)ethanol 39.42
    sec-butyl acetate 8.16
    tert-butyl acetate 15.16
    decalin 0.71
    glycerin 9.54
    diglyme 63.34
    acrylic acid 8.63
    isopropyl myristate 5.91
    n-butyric acid 17.54
    acetyl acetate 9.32
    di(2-ethylhexyl) phthalate 10.23
    ethyl propionate 9.81
    nitromethane 15.64
    1,2-diethoxyethane 20.96
    benzonitrile 13.07
    trioctyl phosphate 7.14
    1-bromopropane 7.99
    gamma-valerolactone 80.0
    n-decanol 5.19
    triethyl phosphate 7.02
    4-methyl-2-pentanol 7.91
    propionitrile 9.34
    vinylene carbonate 16.35
    1,1,2-trichlorotrifluoroethane 31.12
    DMS 15.46
    cumene 4.83
    2-octanol 6.63
    2-hexanone 12.76
    octyl acetate 8.74
    limonene 5.29
    1,2-dimethoxyethane 44.48
    ethyl orthosilicate 7.8
    tributyl phosphate 6.01
    diacetone alcohol 21.36
    N,N-dimethylaniline 16.04
    acrylonitrile 10.91
    aniline 21.73
    1,3-propanediol 18.66
    bromobenzene 13.41
    dibromomethane 12.38
    1,1,2,2-tetrachloroethane 27.54
    2-methyl-cyclohexyl acetate 12.47
    tetrabutyl urea 9.54
    diisobutyl methanol 5.2
    2-phenylethanol 24.65
    styrene 8.62
    dioctyl adipate 10.86
    dimethyl sulfate 19.18
    ethyl butyrate 10.35
    methyl lactate 15.49
    butyl lactate 19.54
    diethyl carbonate 6.47
    propanediol butyl ether 29.03
    triethyl orthoformate 12.01
    p-tert-butyltoluene 5.26
    methyl 4-tert-butylbenzoate 25.0
    morpholine 98.86
    tert-butylamine 6.62
    n-dodecanol 2.75
    dimethoxymethane 78.1
    ethylene carbonate 13.31
    cyrene 27.38
    2-ethoxyethyl acetate 29.66
    2-ethylhexyl acetate 12.07
    1,2,4-trichlorobenzene 17.79
    4-methylpyridine 36.41
    dibutyl ether 5.42
    2,6-dimethyl-4-heptanol 5.2
    DEF 25.62
    dimethyl isosorbide 43.68
    tetrachloroethylene 17.67
    eugenol 26.81
    triacetin 19.37
    span 80 23.97
    1,4-butanediol 6.47
    1,1-dichloroethane 11.52
    2-methyl-1-pentanol 10.15
    methyl formate 11.66
    2-methyl-1-butanol 14.27
    n-decane 0.36
    butyronitrile 11.0
    3,7-dimethyl-1-octanol 7.1
    1-chlorooctane 2.52
    1-chlorotetradecane 0.59
    n-nonane 0.3
    undecane 0.19
    tert-butylcyclohexane 0.72
    cyclooctane 0.4
    cyclopentanol 16.48
    tetrahydropyran 43.8
    tert-amyl methyl ether 8.64
    2,5,8-trioxanonane 37.09
    1-hexene 3.25
    2-isopropoxyethanol 21.03
    2,2,2-trifluoroethanol 4.32
    methyl butyrate 11.48

    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