I(2)-D-Glucopyranosiduronic acid, (3I(2),16I(2))-28-(I(2)-D-glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a3)-O-[I(2)-D-glucopyranosyl-(1a2)]-

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  • Identifiers

    CAS number
    358732-33-9

    Molecular formula
    C54H86O25

    SMILES
    C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.57%
    Woody 31.71%
    Sweet 30.82%
    Spicy 27.24%
    Cooling 26.66%
    Balsamic 22.01%
    Mint 21.85%
    Dry 20.45%
    Amber 19.81%
    Warm 19.33%

     

    Flavor
    Bitter 59.41%
    Odorless 34.87%
    Sweet 32.63%
    Fatty 28.81%
    Sweet-like 28.55%
    Bland 26.05%
    Cedarleaf 21.48%
    Patchouli 20.6%
    Mentholic 20.48%
    Cauliflower 20.2%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    1.5 (strong acid)

    Molecular weight
    1135.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3532°C

    Flash point

    • 212.19 ˚C est.

  • Synonyms

    • DTXSID401099698
    • 358732-33-9
    • I(2)-D-Glucopyranosiduronic acid, (3I(2),16I(2))-28-(I(2)-D-glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a3)-O-[I(2)-D-glucopyranosyl-(1a2)]-
    • 358732-33-9

  • Applications

    I(2)-D-Glucopyranosiduronic acid, (3I(2),16I(2))-28-(I(2)-D-glucopyranosyloxy)-16-hydroxy-28-oxoolean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a3)-O-[I(2)-D-glucopyranosyl-(1a2)]-, CAS number: 358732-33-9, is a glycosylated oleanane-type triterpenoid whose real-world applications center on surfactant and emulsifier roles; in cosmetics, personal care, and household cleaners it is commonly evaluated as a natural surfactant and emulsifier and can act as a mild cleansing agent; in industrial manufacturing it serves as a processing aid or stabilizer in formulations such as coatings, inks, and pigment dispersions; the glycoside is also explored as an eco-friendly surfactant in polymer and plastics processing; and it is studied as a bioactive glycoside with potential agricultural applications and as a synthetic intermediate or lead compound for pharmaceutical development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.15
    methanol 20.79
    isopropanol 0.75
    water 0.13
    ethyl acetate 2.15
    n-propanol 1.28
    acetone 5.05
    n-butanol 0.49
    acetonitrile 1.92
    DMF 60.37
    toluene 0.66
    isobutanol 0.49
    1,4-dioxane 8.03
    methyl acetate 3.33
    THF 15.51
    2-butanone 2.7
    n-pentanol 0.43
    sec-butanol 0.45
    n-hexane 0.03
    ethylene glycol 5.53
    NMP 53.19
    cyclohexane 0.06
    DMSO 53.56
    n-butyl acetate 0.81
    n-octanol 0.49
    chloroform 3.57
    n-propyl acetate 1.03
    acetic acid 27.92
    dichloromethane 3.68
    cyclohexanone 3.02
    propylene glycol 4.42
    isopropyl acetate 1.17
    DMAc 47.85
    2-ethoxyethanol 6.71
    isopentanol 0.27
    n-heptane 0.05
    ethyl formate 2.19
    1,2-dichloroethane 1.89
    n-hexanol 0.36
    2-methoxyethanol 17.21
    isobutyl acetate 0.49
    tetrachloromethane 0.45
    n-pentyl acetate 1.3
    transcutol 12.31
    n-heptanol 0.58
    ethylbenzene 0.21
    MIBK 0.82
    2-propoxyethanol 7.21
    tert-butanol 0.56
    MTBE 0.5
    2-butoxyethanol 4.43
    propionic acid 3.62
    o-xylene 0.46
    formic acid 40.03
    diethyl ether 0.9
    m-xylene 0.43
    p-xylene 0.28
    chlorobenzene 0.62
    dimethyl carbonate 8.61
    n-octane 0.03
    formamide 29.31
    cyclopentanone 9.35
    2-pentanone 1.56
    anisole 1.12
    cyclopentyl methyl ether 2.29
    gamma-butyrolactone 17.21
    1-methoxy-2-propanol 9.12
    pyridine 5.45
    3-pentanone 1.72
    furfural 16.45
    n-dodecane 0.02
    diethylene glycol 11.65
    diisopropyl ether 0.17
    tert-amyl alcohol 0.42
    acetylacetone 6.83
    n-hexadecane 0.02
    acetophenone 1.97
    methyl propionate 4.34
    isopentyl acetate 0.59
    trichloroethylene 6.32
    n-nonanol 0.53
    cyclohexanol 0.44
    benzyl alcohol 1.38
    2-ethylhexanol 0.19
    isooctanol 0.37
    dipropyl ether 0.7
    1,2-dichlorobenzene 0.74
    ethyl lactate 2.18
    propylene carbonate 5.0
    n-methylformamide 22.7
    2-pentanol 0.25
    n-pentane 0.04
    1-propoxy-2-propanol 3.66
    1-methoxy-2-propyl acetate 3.92
    2-(2-methoxypropoxy) propanol 3.76
    mesitylene 0.24
    ε-caprolactone 3.49
    p-cymene 0.19
    epichlorohydrin 11.82
    1,1,1-trichloroethane 0.98
    2-aminoethanol 5.22
    morpholine-4-carbaldehyde 41.4
    sulfolane 38.94
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.31
    n-hexyl acetate 1.24
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.03
    sec-butyl acetate 0.53
    tert-butyl acetate 1.3
    decalin 0.03
    glycerin 14.78
    diglyme 11.49
    acrylic acid 9.14
    isopropyl myristate 0.31
    n-butyric acid 2.24
    acetyl acetate 3.12
    di(2-ethylhexyl) phthalate 0.71
    ethyl propionate 1.11
    nitromethane 46.05
    1,2-diethoxyethane 1.92
    benzonitrile 0.96
    trioctyl phosphate 0.47
    1-bromopropane 0.41
    gamma-valerolactone 25.54
    n-decanol 0.31
    triethyl phosphate 0.68
    4-methyl-2-pentanol 0.16
    propionitrile 0.99
    vinylene carbonate 6.12
    1,1,2-trichlorotrifluoroethane 26.72
    DMS 2.95
    cumene 0.14
    2-octanol 0.28
    2-hexanone 0.89
    octyl acetate 0.64
    limonene 0.24
    1,2-dimethoxyethane 7.82
    ethyl orthosilicate 0.58
    tributyl phosphate 0.4
    diacetone alcohol 3.28
    N,N-dimethylaniline 1.12
    acrylonitrile 3.0
    aniline 1.1
    1,3-propanediol 3.34
    bromobenzene 0.55
    dibromomethane 1.35
    1,1,2,2-tetrachloroethane 4.48
    2-methyl-cyclohexyl acetate 0.75
    tetrabutyl urea 0.9
    diisobutyl methanol 0.14
    2-phenylethanol 1.21
    styrene 0.27
    dioctyl adipate 0.84
    dimethyl sulfate 21.06
    ethyl butyrate 0.85
    methyl lactate 9.18
    butyl lactate 1.91
    diethyl carbonate 0.62
    propanediol butyl ether 4.91
    triethyl orthoformate 1.02
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 3.17
    morpholine 8.53
    tert-butylamine 0.16
    n-dodecanol 0.18
    dimethoxymethane 23.88
    ethylene carbonate 3.22
    cyrene 9.58
    2-ethoxyethyl acetate 3.87
    2-ethylhexyl acetate 0.44
    1,2,4-trichlorobenzene 1.27
    4-methylpyridine 2.29
    dibutyl ether 0.31
    2,6-dimethyl-4-heptanol 0.14
    DEF 4.3
    dimethyl isosorbide 8.29
    tetrachloroethylene 3.42
    eugenol 3.18
    triacetin 4.26
    span 80 3.52
    1,4-butanediol 1.61
    1,1-dichloroethane 0.96
    2-methyl-1-pentanol 0.24
    methyl formate 21.17
    2-methyl-1-butanol 0.3
    n-decane 0.04
    butyronitrile 0.47
    3,7-dimethyl-1-octanol 0.26
    1-chlorooctane 0.18
    1-chlorotetradecane 0.06
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.09
    tetrahydropyran 1.76
    tert-amyl methyl ether 0.51
    2,5,8-trioxanonane 7.2
    1-hexene 0.09
    2-isopropoxyethanol 2.72
    2,2,2-trifluoroethanol 11.16
    methyl butyrate 1.35

    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