beta-D-Glucopyranosiduronic acid, (2beta,3beta)-28-(beta-D-glucopyranosyloxy)-2-hydroxy-28-oxoolean-12-en-3-yl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-

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  • Identifiers

    CAS number
    139742-09-9

    Molecular formula
    C48H76O19

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O[C@H]3[C@H](C[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C)O)C(=O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 58.86%
    Woody 36.56%
    Spicy 31.91%
    Cooling 25.88%
    Sweet 25.09%
    Balsamic 23.69%
    Amber 23.06%
    Dry 22.81%
    Mint 21.12%
    Warm 20.2%

     

    Flavor
    Bitter 62.34%
    Odorless 30.85%
    Sweet-like 26.9%
    Fatty 26.62%
    Sweet 26.03%
    Bland 25.25%
    Cedarleaf 22.12%
    Patchouli 20.98%
    Fir 20.58%
    Mentholic 20.57%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    2.28 (strong acid)

    Molecular weight
    957.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    2058°C

    Flash point

    • 249.74 ˚C est.

  • Synonyms

    • beta-D-Glucopyranosiduronic acid, (2beta,3beta)-28-(beta-D-glucopyranosyloxy)-2-hydroxy-28-oxoolean-12-en-3-yl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-
    • 139742-09-9
    • DTXSID401102180
    • I(2)-D-Glucopyranosiduronic acid, (2I(2),3I(2))-28-(I(2)-D-glucopyranosyloxy)-2-hydroxy-28-oxoolean-12-en-3-yl 3-O-(6-deoxy-I+/--L-mannopyranosyl)-
    • 139742-09-9

  • Applications

    beta-D-Glucopyranosiduronic acid, (2beta,3beta)-28-(beta-D-glucopyranosyloxy)-2-hydroxy-28-oxoolean-12-en-3-yl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, CAS 139742-09-9 is a triterpenoid glycoside whose surface-active properties position it as a natural surfactant and emulsifier in cosmetics and personal care formulations; it can also serve as a foaming agent in household cleaners. In pharmaceutical applications, it may be evaluated as an excipient or formulation aid, potentially influencing solubility and dispersion. In agriculture, it is often considered as an adjuvant or surfactant to improve agrochemical performance on plant surfaces. In coatings and inks, it can function as a specialty wetting and dispersing agent to improve substrate wetting and pigment stabilization.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.96
    methanol 30.53
    isopropanol 0.89
    water 0.1
    ethyl acetate 2.35
    n-propanol 1.56
    acetone 5.27
    n-butanol 0.59
    acetonitrile 1.83
    DMF 66.36
    toluene 0.71
    isobutanol 0.57
    1,4-dioxane 10.35
    methyl acetate 3.29
    THF 21.55
    2-butanone 2.9
    n-pentanol 0.55
    sec-butanol 0.51
    n-hexane 0.03
    ethylene glycol 6.68
    NMP 59.51
    cyclohexane 0.05
    DMSO 56.76
    n-butyl acetate 0.91
    n-octanol 0.58
    chloroform 4.01
    n-propyl acetate 1.07
    acetic acid 37.23
    dichloromethane 3.95
    cyclohexanone 3.67
    propylene glycol 5.51
    isopropyl acetate 1.31
    DMAc 46.61
    2-ethoxyethanol 9.12
    isopentanol 0.34
    n-heptane 0.04
    ethyl formate 2.56
    1,2-dichloroethane 1.92
    n-hexanol 0.46
    2-methoxyethanol 24.42
    isobutyl acetate 0.53
    tetrachloromethane 0.45
    n-pentyl acetate 1.52
    transcutol 16.19
    n-heptanol 0.71
    ethylbenzene 0.23
    MIBK 0.97
    2-propoxyethanol 9.72
    tert-butanol 0.62
    MTBE 0.54
    2-butoxyethanol 5.63
    propionic acid 3.9
    o-xylene 0.46
    formic acid 50.02
    diethyl ether 0.98
    m-xylene 0.45
    p-xylene 0.29
    chlorobenzene 0.73
    dimethyl carbonate 8.74
    n-octane 0.03
    formamide 34.96
    cyclopentanone 11.84
    2-pentanone 1.77
    anisole 1.35
    cyclopentyl methyl ether 2.86
    gamma-butyrolactone 20.45
    1-methoxy-2-propanol 12.06
    pyridine 6.36
    3-pentanone 1.78
    furfural 19.57
    n-dodecane 0.02
    diethylene glycol 15.42
    diisopropyl ether 0.18
    tert-amyl alcohol 0.46
    acetylacetone 7.45
    n-hexadecane 0.02
    acetophenone 2.18
    methyl propionate 4.44
    isopentyl acetate 0.68
    trichloroethylene 6.79
    n-nonanol 0.59
    cyclohexanol 0.52
    benzyl alcohol 1.83
    2-ethylhexanol 0.22
    isooctanol 0.45
    dipropyl ether 0.72
    1,2-dichlorobenzene 0.81
    ethyl lactate 2.33
    propylene carbonate 5.76
    n-methylformamide 26.29
    2-pentanol 0.28
    n-pentane 0.03
    1-propoxy-2-propanol 4.48
    1-methoxy-2-propyl acetate 4.58
    2-(2-methoxypropoxy) propanol 4.38
    mesitylene 0.24
    ε-caprolactone 4.23
    p-cymene 0.19
    epichlorohydrin 15.31
    1,1,1-trichloroethane 1.03
    2-aminoethanol 6.93
    morpholine-4-carbaldehyde 52.75
    sulfolane 43.25
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.98
    n-hexyl acetate 1.52
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 6.33
    sec-butyl acetate 0.55
    tert-butyl acetate 1.45
    decalin 0.02
    glycerin 18.92
    diglyme 13.93
    acrylic acid 9.94
    isopropyl myristate 0.35
    n-butyric acid 2.69
    acetyl acetate 3.37
    di(2-ethylhexyl) phthalate 0.87
    ethyl propionate 1.12
    nitromethane 52.78
    1,2-diethoxyethane 2.16
    benzonitrile 1.14
    trioctyl phosphate 0.53
    1-bromopropane 0.42
    gamma-valerolactone 34.49
    n-decanol 0.33
    triethyl phosphate 0.68
    4-methyl-2-pentanol 0.2
    propionitrile 0.98
    vinylene carbonate 7.22
    1,1,2-trichlorotrifluoroethane 31.7
    DMS 3.05
    cumene 0.14
    2-octanol 0.33
    2-hexanone 0.96
    octyl acetate 0.73
    limonene 0.24
    1,2-dimethoxyethane 9.65
    ethyl orthosilicate 0.58
    tributyl phosphate 0.45
    diacetone alcohol 3.88
    N,N-dimethylaniline 1.24
    acrylonitrile 3.02
    aniline 1.3
    1,3-propanediol 4.5
    bromobenzene 0.63
    dibromomethane 1.4
    1,1,2,2-tetrachloroethane 4.54
    2-methyl-cyclohexyl acetate 0.82
    tetrabutyl urea 0.95
    diisobutyl methanol 0.15
    2-phenylethanol 1.56
    styrene 0.29
    dioctyl adipate 0.94
    dimethyl sulfate 20.57
    ethyl butyrate 0.85
    methyl lactate 9.86
    butyl lactate 2.22
    diethyl carbonate 0.61
    propanediol butyl ether 6.65
    triethyl orthoformate 1.02
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 3.52
    morpholine 11.51
    tert-butylamine 0.17
    n-dodecanol 0.19
    dimethoxymethane 28.84
    ethylene carbonate 3.83
    cyrene 11.44
    2-ethoxyethyl acetate 4.59
    2-ethylhexyl acetate 0.5
    1,2,4-trichlorobenzene 1.42
    4-methylpyridine 2.87
    dibutyl ether 0.34
    2,6-dimethyl-4-heptanol 0.15
    DEF 4.64
    dimethyl isosorbide 9.76
    tetrachloroethylene 3.58
    eugenol 3.75
    triacetin 4.7
    span 80 4.25
    1,4-butanediol 2.01
    1,1-dichloroethane 0.99
    2-methyl-1-pentanol 0.3
    methyl formate 24.14
    2-methyl-1-butanol 0.37
    n-decane 0.04
    butyronitrile 0.52
    3,7-dimethyl-1-octanol 0.3
    1-chlorooctane 0.18
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.35
    tetrahydropyran 2.23
    tert-amyl methyl ether 0.54
    2,5,8-trioxanonane 8.29
    1-hexene 0.09
    2-isopropoxyethanol 3.35
    2,2,2-trifluoroethanol 12.05
    methyl butyrate 1.38

    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