(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-glucopyranosyl-(1a2)-I+/--L-arabinopyranosyl-(1a3)]-I(2)-D-glucopyranosiduronic acid

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  • Identifiers

    CAS number
    156250-57-6

    Molecular formula
    C58H90O26

    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]8C([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)C)C)C)O)CO)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 63.81%
    Sweet 29.24%
    Woody 26.97%
    Cooling 26.38%
    Spicy 25.67%
    Mint 23.59%
    Milky 19.63%
    Warm 18.86%
    Dry 17.74%
    Vanilla 17.57%

     

    Flavor
    Bitter 68.7%
    Odorless 30.12%
    Fatty 27.58%
    Sweet-like 26.89%
    Bland 25.84%
    Cedarleaf 21.91%
    Sweet 20.78%
    Naphthalic 19.95%
    Patchouli 19.93%
    Mentholic 19.89%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    1.1 (strong acid)

    Molecular weight
    1203.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3667°C

    Flash point

    • 196.05 ˚C est.

  • Synonyms

    • DTXSID101098227
    • (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-glucopyranosyl-(1a2)-I+/--L-arabinopyranosyl-(1a3)]-I(2)-D-glucopyranosiduronic acid
    • 156250-57-6
    • 156250-57-6

  • Applications

    For the chemical (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-glucopyranosyl-(1a2)-I+/--L-arabinopyranosyl-(1a3)]-I(2)-D-glucopyranosiduronic acid (CAS 156250-57-6) is a natural triterpene glycoside with surfactant properties, which supports its use as an emulsifier and foaming agent in cosmetics and personal care products, as well as a surfactant in household cleaners and detergents; it may serve as an emulsifier or stabilizer in polymer and coating/ink formulations in industrial manufacturing; it is often evaluated as an excipient or solubility enhancer in pharmaceutical formulations; and in agricultural and agrochemical contexts it can function as a surfactant to improve dispersion and penetration of active ingredients.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.03
    methanol 23.02
    isopropanol 0.74
    water 0.14
    ethyl acetate 2.11
    n-propanol 1.23
    acetone 4.89
    n-butanol 0.53
    acetonitrile 1.95
    DMF 67.26
    toluene 0.83
    isobutanol 0.47
    1,4-dioxane 8.23
    methyl acetate 3.45
    THF 15.49
    2-butanone 2.83
    n-pentanol 0.46
    sec-butanol 0.45
    n-hexane 0.03
    ethylene glycol 5.97
    NMP 52.58
    cyclohexane 0.06
    DMSO 51.97
    n-butyl acetate 0.76
    n-octanol 0.5
    chloroform 4.35
    n-propyl acetate 1.07
    acetic acid 28.69
    dichloromethane 4.32
    cyclohexanone 3.36
    propylene glycol 4.98
    isopropyl acetate 1.14
    DMAc 44.27
    2-ethoxyethanol 6.79
    isopentanol 0.29
    n-heptane 0.04
    ethyl formate 2.4
    1,2-dichloroethane 2.0
    n-hexanol 0.36
    2-methoxyethanol 18.68
    isobutyl acetate 0.49
    tetrachloromethane 0.47
    n-pentyl acetate 1.32
    transcutol 11.46
    n-heptanol 0.6
    ethylbenzene 0.26
    MIBK 0.87
    2-propoxyethanol 6.92
    tert-butanol 0.52
    MTBE 0.43
    2-butoxyethanol 4.15
    propionic acid 3.99
    o-xylene 0.54
    formic acid 42.51
    diethyl ether 0.83
    m-xylene 0.52
    p-xylene 0.32
    chlorobenzene 0.76
    dimethyl carbonate 9.48
    n-octane 0.03
    formamide 30.35
    cyclopentanone 10.19
    2-pentanone 1.75
    anisole 1.36
    cyclopentyl methyl ether 2.28
    gamma-butyrolactone 17.85
    1-methoxy-2-propanol 9.42
    pyridine 5.96
    3-pentanone 1.92
    furfural 18.66
    n-dodecane 0.02
    diethylene glycol 11.76
    diisopropyl ether 0.16
    tert-amyl alcohol 0.39
    acetylacetone 7.34
    n-hexadecane 0.02
    acetophenone 2.32
    methyl propionate 4.58
    isopentyl acetate 0.55
    trichloroethylene 7.52
    n-nonanol 0.52
    cyclohexanol 0.5
    benzyl alcohol 1.78
    2-ethylhexanol 0.19
    isooctanol 0.37
    dipropyl ether 0.62
    1,2-dichlorobenzene 0.9
    ethyl lactate 2.37
    propylene carbonate 5.14
    n-methylformamide 24.89
    2-pentanol 0.26
    n-pentane 0.03
    1-propoxy-2-propanol 3.49
    1-methoxy-2-propyl acetate 3.65
    2-(2-methoxypropoxy) propanol 3.68
    mesitylene 0.27
    ε-caprolactone 3.76
    p-cymene 0.19
    epichlorohydrin 12.64
    1,1,1-trichloroethane 1.05
    2-aminoethanol 5.43
    morpholine-4-carbaldehyde 43.49
    sulfolane 42.0
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.21
    n-hexyl acetate 1.29
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.85
    sec-butyl acetate 0.51
    tert-butyl acetate 1.27
    decalin 0.03
    glycerin 16.88
    diglyme 10.5
    acrylic acid 10.42
    isopropyl myristate 0.33
    n-butyric acid 2.51
    acetyl acetate 3.14
    di(2-ethylhexyl) phthalate 0.79
    ethyl propionate 1.17
    nitromethane 46.32
    1,2-diethoxyethane 1.8
    benzonitrile 1.18
    trioctyl phosphate 0.5
    1-bromopropane 0.44
    gamma-valerolactone 28.48
    n-decanol 0.3
    triethyl phosphate 0.65
    4-methyl-2-pentanol 0.17
    propionitrile 1.08
    vinylene carbonate 6.75
    1,1,2-trichlorotrifluoroethane 29.1
    DMS 2.94
    cumene 0.15
    2-octanol 0.3
    2-hexanone 0.97
    octyl acetate 0.66
    limonene 0.23
    1,2-dimethoxyethane 7.9
    ethyl orthosilicate 0.54
    tributyl phosphate 0.42
    diacetone alcohol 3.25
    N,N-dimethylaniline 1.3
    acrylonitrile 3.39
    aniline 1.4
    1,3-propanediol 3.61
    bromobenzene 0.71
    dibromomethane 1.51
    1,1,2,2-tetrachloroethane 5.0
    2-methyl-cyclohexyl acetate 0.74
    tetrabutyl urea 0.95
    diisobutyl methanol 0.13
    2-phenylethanol 1.35
    styrene 0.33
    dioctyl adipate 0.93
    dimethyl sulfate 22.3
    ethyl butyrate 0.82
    methyl lactate 10.11
    butyl lactate 2.02
    diethyl carbonate 0.61
    propanediol butyl ether 5.2
    triethyl orthoformate 0.95
    p-tert-butyltoluene 0.2
    methyl 4-tert-butylbenzoate 3.27
    morpholine 8.69
    tert-butylamine 0.15
    n-dodecanol 0.18
    dimethoxymethane 25.31
    ethylene carbonate 3.6
    cyrene 10.11
    2-ethoxyethyl acetate 3.91
    2-ethylhexyl acetate 0.41
    1,2,4-trichlorobenzene 1.55
    4-methylpyridine 2.75
    dibutyl ether 0.31
    2,6-dimethyl-4-heptanol 0.13
    DEF 4.6
    dimethyl isosorbide 7.86
    tetrachloroethylene 3.77
    eugenol 3.37
    triacetin 4.19
    span 80 3.66
    1,4-butanediol 1.81
    1,1-dichloroethane 0.99
    2-methyl-1-pentanol 0.25
    methyl formate 23.82
    2-methyl-1-butanol 0.31
    n-decane 0.04
    butyronitrile 0.53
    3,7-dimethyl-1-octanol 0.26
    1-chlorooctane 0.17
    1-chlorotetradecane 0.05
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.14
    tetrahydropyran 1.75
    tert-amyl methyl ether 0.47
    2,5,8-trioxanonane 6.97
    1-hexene 0.09
    2-isopropoxyethanol 2.71
    2,2,2-trifluoroethanol 11.31
    methyl butyrate 1.42

    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