soyasapogenol E 3-O-beta-glucuronide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    143519-22-6

    Molecular formula
    C36H56O9

    SMILES
    C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5=O)(C)C)C)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 68.78%
    Amber 42.29%
    Spicy 40.19%
    Dry 37.32%
    Cedar 37.15%
    Balsamic 34.29%
    Odorless 30.09%
    Musk 28.06%
    Sandalwood 27.7%
    Warm 26.19%

     

    Flavor
    Bitter 63.05%
    Woody 34.56%
    Pine 30.6%
    Camphor 28.59%
    Balsam 25.79%
    Herbal 25.46%
    Cedarleaf 23.23%
    Patchouli 22.71%
    Sweet-like 22.37%
    Spicy 22.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    3.98 (weak acid)

    Molecular weight
    632.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    220°C

    Flash point

    • 292.24 ˚C est.

  • Synonyms

    • soyasapogenol E 3-O-beta-glucuronide
    • soyasapogenol E monoglucuronide
    • soyasapogenol E-3-O-glucuronide
    • soyasapogenol E-3-O-beta-glucuronide
    • (3beta)-24-hydroxy-22-oxoolean-12-en-3-yl gluco-D-glucopyranosiduronic acid
    • CHEBI:62445
    • DTXSID501150132
    • 143519-22-6
    • Q27131904
    • 24-Hydroxy-22-oxoolean-12-en-3beta-yl beta-D-glucopyranosiduronic acid
    • I(2)-D-Glucopyranosiduronic acid, (3I(2),4I(2))-23-hydroxy-22-oxoolean-12-en-3-yl
    • 143519-22-6

  • Applications

    Chemical name: soyasapogenol E 3-O-beta-glucuronide; CAS number: 143519-22-6. This soyasapogenol E glucuronide, a glycosylated sapogenin derived from soy, is typically discussed as a building block or intermediate for glycoside/saponin derivatives in research, development, and limited industrial synthesis. Real-world applications span: (1) cosmetics/personal care where it can serve as a natural surfactant or emulsifier; (2) cleaning/detergents as a surfactant-based active; (3) pharmaceutical research as a reference metabolite and precursor for natural product glycosides; (4) agricultural formulations as an additive or adjuvant to improve dispersion or compatibility; (5) materials science/polymers where it may be explored as an additive to modify compatibility or rheology of glycoside-containing polymer systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.67
    methanol 17.8
    isopropanol 1.04
    water 0.02
    ethyl acetate 0.86
    n-propanol 1.88
    acetone 3.28
    n-butanol 0.81
    acetonitrile 0.6
    DMF 24.05
    toluene 0.46
    isobutanol 0.69
    1,4-dioxane 7.69
    methyl acetate 1.24
    THF 18.05
    2-butanone 1.91
    n-pentanol 0.74
    sec-butanol 0.51
    n-hexane 0.03
    ethylene glycol 2.36
    NMP 18.64
    cyclohexane 0.03
    DMSO 22.42
    n-butyl acetate 0.55
    n-octanol 0.58
    chloroform 2.28
    n-propyl acetate 0.55
    acetic acid 10.19
    dichloromethane 1.72
    cyclohexanone 2.68
    propylene glycol 3.26
    isopropyl acetate 0.65
    DMAc 16.48
    2-ethoxyethanol 7.78
    isopentanol 0.49
    n-heptane 0.03
    ethyl formate 1.18
    1,2-dichloroethane 1.0
    n-hexanol 0.6
    2-methoxyethanol 18.4
    isobutyl acetate 0.36
    tetrachloromethane 0.31
    n-pentyl acetate 1.21
    transcutol 10.78
    n-heptanol 0.83
    ethylbenzene 0.2
    MIBK 0.79
    2-propoxyethanol 9.56
    tert-butanol 0.72
    MTBE 0.53
    2-butoxyethanol 5.9
    propionic acid 1.73
    o-xylene 0.28
    formic acid 9.54
    diethyl ether 0.76
    m-xylene 0.34
    p-xylene 0.23
    chlorobenzene 0.43
    dimethyl carbonate 2.17
    n-octane 0.02
    formamide 8.2
    cyclopentanone 6.95
    2-pentanone 1.27
    anisole 0.87
    cyclopentyl methyl ether 1.89
    gamma-butyrolactone 7.77
    1-methoxy-2-propanol 9.7
    pyridine 3.81
    3-pentanone 1.01
    furfural 6.91
    n-dodecane 0.01
    diethylene glycol 9.75
    diisopropyl ether 0.15
    tert-amyl alcohol 0.49
    acetylacetone 3.04
    n-hexadecane 0.01
    acetophenone 1.2
    methyl propionate 1.57
    isopentyl acetate 0.56
    trichloroethylene 2.91
    n-nonanol 0.61
    cyclohexanol 0.5
    benzyl alcohol 1.51
    2-ethylhexanol 0.24
    isooctanol 0.57
    dipropyl ether 0.5
    1,2-dichlorobenzene 0.4
    ethyl lactate 1.07
    propylene carbonate 2.04
    n-methylformamide 9.61
    2-pentanol 0.31
    n-pentane 0.03
    1-propoxy-2-propanol 3.9
    1-methoxy-2-propyl acetate 2.44
    2-(2-methoxypropoxy) propanol 3.3
    mesitylene 0.18
    ε-caprolactone 2.57
    p-cymene 0.14
    epichlorohydrin 8.03
    1,1,1-trichloroethane 0.48
    2-aminoethanol 4.93
    morpholine-4-carbaldehyde 23.46
    sulfolane 15.64
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.2
    n-hexyl acetate 1.23
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.23
    sec-butyl acetate 0.32
    tert-butyl acetate 0.87
    decalin 0.02
    glycerin 8.39
    diglyme 9.92
    acrylic acid 3.05
    isopropyl myristate 0.25
    n-butyric acid 1.64
    acetyl acetate 0.96
    di(2-ethylhexyl) phthalate 0.71
    ethyl propionate 0.5
    nitromethane 10.02
    1,2-diethoxyethane 1.65
    benzonitrile 0.64
    trioctyl phosphate 0.43
    1-bromopropane 0.29
    gamma-valerolactone 20.16
    n-decanol 0.3
    triethyl phosphate 0.36
    4-methyl-2-pentanol 0.24
    propionitrile 0.49
    vinylene carbonate 2.32
    1,1,2-trichlorotrifluoroethane 11.89
    DMS 1.32
    cumene 0.15
    2-octanol 0.35
    2-hexanone 0.77
    octyl acetate 0.5
    limonene 0.17
    1,2-dimethoxyethane 7.4
    ethyl orthosilicate 0.36
    tributyl phosphate 0.32
    diacetone alcohol 2.58
    N,N-dimethylaniline 0.79
    acrylonitrile 1.1
    aniline 0.88
    1,3-propanediol 4.9
    bromobenzene 0.35
    dibromomethane 0.84
    1,1,2,2-tetrachloroethane 2.27
    2-methyl-cyclohexyl acetate 0.59
    tetrabutyl urea 0.63
    diisobutyl methanol 0.15
    2-phenylethanol 1.4
    styrene 0.22
    dioctyl adipate 0.61
    dimethyl sulfate 4.68
    ethyl butyrate 0.44
    methyl lactate 3.43
    butyl lactate 1.86
    diethyl carbonate 0.27
    propanediol butyl ether 5.98
    triethyl orthoformate 0.57
    p-tert-butyltoluene 0.16
    methyl 4-tert-butylbenzoate 2.44
    morpholine 9.49
    tert-butylamine 0.19
    n-dodecanol 0.15
    dimethoxymethane 14.17
    ethylene carbonate 1.52
    cyrene 6.4
    2-ethoxyethyl acetate 3.17
    2-ethylhexyl acetate 0.4
    1,2,4-trichlorobenzene 0.71
    4-methylpyridine 1.68
    dibutyl ether 0.27
    2,6-dimethyl-4-heptanol 0.15
    DEF 2.27
    dimethyl isosorbide 5.43
    tetrachloroethylene 1.87
    eugenol 2.78
    triacetin 2.29
    span 80 3.21
    1,4-butanediol 1.69
    1,1-dichloroethane 0.54
    2-methyl-1-pentanol 0.44
    methyl formate 6.79
    2-methyl-1-butanol 0.48
    n-decane 0.03
    butyronitrile 0.38
    3,7-dimethyl-1-octanol 0.33
    1-chlorooctane 0.14
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.02
    cyclooctane 0.02
    cyclopentanol 1.09
    tetrahydropyran 1.88
    tert-amyl methyl ether 0.44
    2,5,8-trioxanonane 5.41
    1-hexene 0.1
    2-isopropoxyethanol 3.08
    2,2,2-trifluoroethanol 2.85
    methyl butyrate 0.7

    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