beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16alpha,22alpha)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-23-oxoolean-12-en-3-yl O-beta-D-galactopyranosyl-(1-->2)-O-[O-beta-D-xylopyranosyl-(1-->2)-alpha-L-arabinopyranosyl-(1-->3)]-

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  • Identifiers

    CAS number
    259747-95-0

    Molecular formula
    C57H88O25

    SMILES
    C/C=C(/C)\C(=O)O[C@H]1CC(C[C@@H]2[C@]1([C@@H](C[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)C=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)C)C)C)O)CO)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 61.5%
    Sweet 30.06%
    Woody 29.13%
    Spicy 27.38%
    Cooling 26.13%
    Mint 23.84%
    Milky 19.53%
    Warm 19.52%
    Dry 18.33%
    Balsamic 18.13%

     

    Flavor
    Bitter 70.24%
    Odorless 28.62%
    Fatty 27.51%
    Sweet-like 26.48%
    Bland 25.89%
    Cedarleaf 22.03%
    Naphthalic 19.89%
    Patchouli 19.88%
    Ripe apricot 19.86%
    Mentholic 19.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    1.18 (strong acid)

    Molecular weight
    1173.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3495°C

    Flash point

    • 194.84 ˚C est.

  • Synonyms

    • beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16alpha,22alpha)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-23-oxoolean-12-en-3-yl O-beta-D-galactopyranosyl-(1-->2)-O-[O-beta-D-xylopyranosyl-(1-->2)-alpha-L-arabinopyranosyl-(1-->3)]-
    • 259747-95-0
    • DTXSID901098245
    • (3I(2),4I+/-,16I+/-,22I+/-)-16,28-Dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-23-oxoolean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a2)-O-[O-I(2)-D-xylopyranosyl-(1a2)-I+/--L-arabinopyranosyl-(1a3)]-I(2)-D-glucopyranosiduronic acid
    • 259747-95-0

  • Applications

    beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16alpha,22alpha)-16,28-dihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-23-oxoolean-12-en-3-yl O-beta-D-galactopyranosyl-(1-->2)-O-[O-beta-D-xylopyranosyl-(1-->2)-alpha-L-arabinopyranosyl-(1-->3)]- is a glycoside with surfactant and emulsifying properties that may be used as a natural surfactant and emulsifier in cosmetic and personal care formulations. It may also serve as a processing aid or stabilizer in polymer formulations and as a wetting or dispersing agent in coatings and inks. In pharmaceutical development, it may be evaluated as an excipient or solubility enhancer; and in household or industrial cleaning products it can contribute to foaming and cleansing performance, depending on formulation limits and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.94
    methanol 23.38
    isopropanol 0.69
    water 0.12
    ethyl acetate 1.92
    n-propanol 1.19
    acetone 4.45
    n-butanol 0.51
    acetonitrile 1.77
    DMF 65.06
    toluene 0.75
    isobutanol 0.44
    1,4-dioxane 7.8
    methyl acetate 3.13
    THF 14.55
    2-butanone 2.62
    n-pentanol 0.44
    sec-butanol 0.42
    n-hexane 0.02
    ethylene glycol 5.78
    NMP 49.83
    cyclohexane 0.05
    DMSO 47.47
    n-butyl acetate 0.68
    n-octanol 0.48
    chloroform 4.13
    n-propyl acetate 0.97
    acetic acid 28.12
    dichloromethane 4.02
    cyclohexanone 3.14
    propylene glycol 4.98
    isopropyl acetate 1.05
    DMAc 41.91
    2-ethoxyethanol 6.76
    isopentanol 0.28
    n-heptane 0.04
    ethyl formate 2.24
    1,2-dichloroethane 1.8
    n-hexanol 0.34
    2-methoxyethanol 19.14
    isobutyl acetate 0.45
    tetrachloromethane 0.42
    n-pentyl acetate 1.24
    transcutol 11.86
    n-heptanol 0.56
    ethylbenzene 0.23
    MIBK 0.82
    2-propoxyethanol 6.93
    tert-butanol 0.48
    MTBE 0.4
    2-butoxyethanol 4.1
    propionic acid 3.76
    o-xylene 0.49
    formic acid 42.85
    diethyl ether 0.75
    m-xylene 0.47
    p-xylene 0.28
    chlorobenzene 0.7
    dimethyl carbonate 8.91
    n-octane 0.03
    formamide 29.58
    cyclopentanone 9.62
    2-pentanone 1.62
    anisole 1.29
    cyclopentyl methyl ether 2.13
    gamma-butyrolactone 16.82
    1-methoxy-2-propanol 9.58
    pyridine 5.65
    3-pentanone 1.75
    furfural 18.04
    n-dodecane 0.02
    diethylene glycol 11.8
    diisopropyl ether 0.15
    tert-amyl alcohol 0.37
    acetylacetone 6.94
    n-hexadecane 0.02
    acetophenone 2.2
    methyl propionate 4.25
    isopentyl acetate 0.5
    trichloroethylene 7.1
    n-nonanol 0.5
    cyclohexanol 0.46
    benzyl alcohol 1.73
    2-ethylhexanol 0.17
    isooctanol 0.35
    dipropyl ether 0.57
    1,2-dichlorobenzene 0.84
    ethyl lactate 2.27
    propylene carbonate 4.8
    n-methylformamide 24.11
    2-pentanol 0.24
    n-pentane 0.03
    1-propoxy-2-propanol 3.43
    1-methoxy-2-propyl acetate 3.52
    2-(2-methoxypropoxy) propanol 3.69
    mesitylene 0.24
    ε-caprolactone 3.54
    p-cymene 0.17
    epichlorohydrin 12.1
    1,1,1-trichloroethane 0.95
    2-aminoethanol 5.41
    morpholine-4-carbaldehyde 42.93
    sulfolane 38.77
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.05
    n-hexyl acetate 1.23
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.93
    sec-butyl acetate 0.46
    tert-butyl acetate 1.18
    decalin 0.02
    glycerin 17.35
    diglyme 10.61
    acrylic acid 10.01
    isopropyl myristate 0.31
    n-butyric acid 2.42
    acetyl acetate 2.89
    di(2-ethylhexyl) phthalate 0.76
    ethyl propionate 1.07
    nitromethane 44.76
    1,2-diethoxyethane 1.71
    benzonitrile 1.12
    trioctyl phosphate 0.48
    1-bromopropane 0.39
    gamma-valerolactone 27.88
    n-decanol 0.29
    triethyl phosphate 0.6
    4-methyl-2-pentanol 0.16
    propionitrile 0.98
    vinylene carbonate 6.46
    1,1,2-trichlorotrifluoroethane 29.0
    DMS 2.78
    cumene 0.14
    2-octanol 0.28
    2-hexanone 0.88
    octyl acetate 0.62
    limonene 0.2
    1,2-dimethoxyethane 7.67
    ethyl orthosilicate 0.5
    tributyl phosphate 0.4
    diacetone alcohol 3.15
    N,N-dimethylaniline 1.23
    acrylonitrile 3.17
    aniline 1.32
    1,3-propanediol 3.58
    bromobenzene 0.64
    dibromomethane 1.36
    1,1,2,2-tetrachloroethane 4.68
    2-methyl-cyclohexyl acetate 0.68
    tetrabutyl urea 0.89
    diisobutyl methanol 0.12
    2-phenylethanol 1.29
    styrene 0.3
    dioctyl adipate 0.88
    dimethyl sulfate 20.97
    ethyl butyrate 0.75
    methyl lactate 9.94
    butyl lactate 1.97
    diethyl carbonate 0.56
    propanediol butyl ether 5.34
    triethyl orthoformate 0.88
    p-tert-butyltoluene 0.19
    methyl 4-tert-butylbenzoate 3.18
    morpholine 8.41
    tert-butylamine 0.14
    n-dodecanol 0.17
    dimethoxymethane 25.1
    ethylene carbonate 3.37
    cyrene 10.12
    2-ethoxyethyl acetate 3.78
    2-ethylhexyl acetate 0.38
    1,2,4-trichlorobenzene 1.46
    4-methylpyridine 2.58
    dibutyl ether 0.29
    2,6-dimethyl-4-heptanol 0.12
    DEF 4.37
    dimethyl isosorbide 7.73
    tetrachloroethylene 3.51
    eugenol 3.33
    triacetin 4.09
    span 80 3.69
    1,4-butanediol 1.75
    1,1-dichloroethane 0.89
    2-methyl-1-pentanol 0.24
    methyl formate 22.75
    2-methyl-1-butanol 0.3
    n-decane 0.04
    butyronitrile 0.49
    3,7-dimethyl-1-octanol 0.25
    1-chlorooctane 0.16
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.06
    tetrahydropyran 1.64
    tert-amyl methyl ether 0.44
    2,5,8-trioxanonane 7.04
    1-hexene 0.08
    2-isopropoxyethanol 2.63
    2,2,2-trifluoroethanol 10.79
    methyl butyrate 1.32

    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