beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-

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  • Identifiers

    CAS number
    82793-02-0

    Molecular formula
    C42H68O13

    SMILES
    C[C@@]12CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CCC(C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)[C@H]1CC(C[C@@H]2O)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 54.5%
    Odorless 39.94%
    Spicy 39.24%
    Amber 33.75%
    Balsamic 33.17%
    Dry 31.45%
    Sweet 31.33%
    Cooling 26.68%
    Cedar 26.58%
    Mint 25.52%

     

    Flavor
    Bitter 52.07%
    Sweet 32.35%
    Pine 27.86%
    Woody 27.55%
    Odorless 26.46%
    Balsam 25.03%
    Herbal 25.02%
    Sweet-like 24.6%
    Camphor 23.41%
    Patchouli 22.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    3.19 (weak acid)

    Molecular weight
    781.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    716°C

    Flash point

    • 268.29 ˚C est.

  • Synonyms

    • 82793-02-0
    • beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-
    • DTXSID701002892
    • 22-Hydroxyolean-12-en-3-yl 2-O-hexopyranosylhexopyranosiduronic acid
    • (5xi,9xi)-22alpha-Hydroxy-18alpha-olean-12-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranosiduronic acid
    • 82793-02-0

  • Applications

    beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-, CAS number: 82793-02-0, is a glycoside–type compound in the oleanane family bearing a glucuronide moiety, and is commonly used as an intermediate in natural-product synthesis and pharmaceutical research, providing a versatile building block for semi-synthetic derivatives; in cosmetic and personal-care applications it can serve as a hydrophilic moiety to improve formulation solubility or as a scaffold for complex formulations; in household cleaning products and other industrial formulations it may function as a surfactant-like component or emulsifier; in fragrance and flavor development it is sometimes evaluated as a glycoside motif or aroma precursor; and in polymer or coating industries it can be incorporated as a natural-product-derived additive or functional linker, with use constrained by local regulations and formulation compatibility.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.53
    methanol 12.84
    isopropanol 0.41
    water 0.04
    ethyl acetate 0.66
    n-propanol 0.7
    acetone 2.54
    n-butanol 0.26
    acetonitrile 0.61
    DMF 22.66
    toluene 0.24
    isobutanol 0.25
    1,4-dioxane 4.42
    methyl acetate 0.97
    THF 9.04
    2-butanone 1.16
    n-pentanol 0.27
    sec-butanol 0.22
    n-hexane 0.01
    ethylene glycol 2.45
    NMP 17.21
    cyclohexane 0.02
    DMSO 24.24
    n-butyl acetate 0.37
    n-octanol 0.36
    chloroform 1.28
    n-propyl acetate 0.42
    acetic acid 10.63
    dichloromethane 1.23
    cyclohexanone 1.41
    propylene glycol 2.04
    isopropyl acetate 0.44
    DMAc 15.64
    2-ethoxyethanol 4.4
    isopentanol 0.16
    n-heptane 0.02
    ethyl formate 0.85
    1,2-dichloroethane 0.66
    n-hexanol 0.21
    2-methoxyethanol 10.15
    isobutyl acetate 0.26
    tetrachloromethane 0.17
    n-pentyl acetate 0.83
    transcutol 9.03
    n-heptanol 0.42
    ethylbenzene 0.11
    MIBK 0.46
    2-propoxyethanol 4.54
    tert-butanol 0.29
    MTBE 0.24
    2-butoxyethanol 3.38
    propionic acid 1.12
    o-xylene 0.17
    formic acid 15.09
    diethyl ether 0.39
    m-xylene 0.19
    p-xylene 0.14
    chlorobenzene 0.26
    dimethyl carbonate 2.2
    n-octane 0.01
    formamide 11.11
    cyclopentanone 4.23
    2-pentanone 0.74
    anisole 0.6
    cyclopentyl methyl ether 1.0
    gamma-butyrolactone 5.63
    1-methoxy-2-propanol 4.83
    pyridine 2.34
    3-pentanone 0.64
    furfural 6.89
    n-dodecane 0.01
    diethylene glycol 6.83
    diisopropyl ether 0.09
    tert-amyl alcohol 0.21
    acetylacetone 2.75
    n-hexadecane 0.01
    acetophenone 0.95
    methyl propionate 1.2
    isopentyl acetate 0.34
    trichloroethylene 2.2
    n-nonanol 0.37
    cyclohexanol 0.19
    benzyl alcohol 0.81
    2-ethylhexanol 0.12
    isooctanol 0.29
    dipropyl ether 0.35
    1,2-dichlorobenzene 0.29
    ethyl lactate 0.87
    propylene carbonate 1.45
    n-methylformamide 8.43
    2-pentanol 0.12
    n-pentane 0.01
    1-propoxy-2-propanol 2.21
    1-methoxy-2-propyl acetate 1.88
    2-(2-methoxypropoxy) propanol 2.67
    mesitylene 0.1
    ε-caprolactone 1.45
    p-cymene 0.1
    epichlorohydrin 5.22
    1,1,1-trichloroethane 0.31
    2-aminoethanol 2.8
    morpholine-4-carbaldehyde 18.46
    sulfolane 13.77
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.08
    n-hexyl acetate 0.85
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 3.88
    sec-butyl acetate 0.22
    tert-butyl acetate 0.59
    decalin 0.01
    glycerin 7.2
    diglyme 7.67
    acrylic acid 2.73
    isopropyl myristate 0.2
    n-butyric acid 0.79
    acetyl acetate 0.96
    di(2-ethylhexyl) phthalate 0.52
    ethyl propionate 0.37
    nitromethane 14.68
    1,2-diethoxyethane 1.22
    benzonitrile 0.48
    trioctyl phosphate 0.31
    1-bromopropane 0.14
    gamma-valerolactone 13.35
    n-decanol 0.21
    triethyl phosphate 0.29
    4-methyl-2-pentanol 0.1
    propionitrile 0.33
    vinylene carbonate 1.93
    1,1,2-trichlorotrifluoroethane 10.68
    DMS 1.13
    cumene 0.08
    2-octanol 0.21
    2-hexanone 0.49
    octyl acetate 0.4
    limonene 0.11
    1,2-dimethoxyethane 4.89
    ethyl orthosilicate 0.26
    tributyl phosphate 0.23
    diacetone alcohol 1.68
    N,N-dimethylaniline 0.55
    acrylonitrile 0.92
    aniline 0.45
    1,3-propanediol 1.85
    bromobenzene 0.23
    dibromomethane 0.49
    1,1,2,2-tetrachloroethane 1.45
    2-methyl-cyclohexyl acetate 0.4
    tetrabutyl urea 0.54
    diisobutyl methanol 0.08
    2-phenylethanol 0.77
    styrene 0.12
    dioctyl adipate 0.53
    dimethyl sulfate 5.38
    ethyl butyrate 0.34
    methyl lactate 2.82
    butyl lactate 1.25
    diethyl carbonate 0.23
    propanediol butyl ether 3.96
    triethyl orthoformate 0.45
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 1.99
    morpholine 4.52
    tert-butylamine 0.08
    n-dodecanol 0.12
    dimethoxymethane 10.39
    ethylene carbonate 1.02
    cyrene 5.67
    2-ethoxyethyl acetate 2.46
    2-ethylhexyl acetate 0.24
    1,2,4-trichlorobenzene 0.51
    4-methylpyridine 1.0
    dibutyl ether 0.2
    2,6-dimethyl-4-heptanol 0.08
    DEF 1.53
    dimethyl isosorbide 4.97
    tetrachloroethylene 1.29
    eugenol 2.14
    triacetin 2.25
    span 80 2.39
    1,4-butanediol 0.91
    1,1-dichloroethane 0.31
    2-methyl-1-pentanol 0.16
    methyl formate 7.62
    2-methyl-1-butanol 0.16
    n-decane 0.02
    butyronitrile 0.21
    3,7-dimethyl-1-octanol 0.19
    1-chlorooctane 0.1
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.45
    tetrahydropyran 0.86
    tert-amyl methyl ether 0.23
    2,5,8-trioxanonane 4.85
    1-hexene 0.04
    2-isopropoxyethanol 1.81
    2,2,2-trifluoroethanol 3.45
    methyl butyrate 0.49

    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