(3I(2),4I+/-,16I+/-,21I(2),22I+/-)-22-(Acetyloxy)-16,28-dihydroxy-21-[[(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
    316157-16-1

    Molecular formula
    C60H92O28

    SMILES
    C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=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)OC8[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)C)C)[C@@H]2CC1(C)C)C)O)CO)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 67.16%
    Sweet 27.0%
    Cooling 26.35%
    Woody 24.58%
    Spicy 23.66%
    Mint 22.65%
    Milky 20.22%
    Warm 17.95%
    Vanilla 17.13%
    Dry 16.75%

     

    Flavor
    Bitter 72.06%
    Odorless 31.12%
    Sweet-like 27.07%
    Bland 26.6%
    Fatty 25.73%
    Cedarleaf 21.77%
    Ripe apricot 19.87%
    Naphthalic 19.81%
    Parsley 19.8%
    Patchouli 19.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    0.35 (strong acid)

    Molecular weight
    1261.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3609°C

    Flash point

    • 173.67 ˚C est.

  • Synonyms

    • DTXSID101098065
    • (3I(2),4I+/-,16I+/-,21I(2),22I+/-)-22-(Acetyloxy)-16,28-dihydroxy-21-[[(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
    • 316157-16-1
    • 316157-16-1

  • Applications

    Chemical name: (3I(2),4I+/-,16I+/-,21I(2),22I+/-)-22-(Acetyloxy)-16,28-dihydroxy-21-[[(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 number: 316157-16-1; This complex glycoside is primarily used as a specialty surfactant/emulsifier in cosmetics and personal care products, and as a foaming and cleaning aid in household cleaners. It is commonly evaluated as an intermediate or building block for glycosylated natural-product derivatives in pharmaceutical and agrochemical research. In coatings and inks, it can function as a dispersing additive or surface-active agent to improve dispersion, stability, and formulation performance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.88
    methanol 17.54
    isopropanol 0.73
    water 0.18
    ethyl acetate 1.79
    n-propanol 1.09
    acetone 5.33
    n-butanol 0.49
    acetonitrile 2.04
    DMF 67.43
    toluene 0.68
    isobutanol 0.43
    1,4-dioxane 8.86
    methyl acetate 3.17
    THF 14.26
    2-butanone 2.77
    n-pentanol 0.49
    sec-butanol 0.44
    n-hexane 0.03
    ethylene glycol 5.81
    NMP 51.41
    cyclohexane 0.06
    DMSO 55.77
    n-butyl acetate 0.65
    n-octanol 0.51
    chloroform 3.45
    n-propyl acetate 1.03
    acetic acid 25.01
    dichloromethane 3.7
    cyclohexanone 3.19
    propylene glycol 4.58
    isopropyl acetate 1.0
    DMAc 43.83
    2-ethoxyethanol 7.19
    isopentanol 0.26
    n-heptane 0.04
    ethyl formate 2.3
    1,2-dichloroethane 1.74
    n-hexanol 0.34
    2-methoxyethanol 17.07
    isobutyl acetate 0.45
    tetrachloromethane 0.38
    n-pentyl acetate 1.18
    transcutol 9.64
    n-heptanol 0.56
    ethylbenzene 0.26
    MIBK 0.79
    2-propoxyethanol 6.05
    tert-butanol 0.51
    MTBE 0.42
    2-butoxyethanol 3.76
    propionic acid 3.31
    o-xylene 0.48
    formic acid 35.44
    diethyl ether 0.78
    m-xylene 0.44
    p-xylene 0.35
    chlorobenzene 0.65
    dimethyl carbonate 8.59
    n-octane 0.03
    formamide 29.26
    cyclopentanone 9.96
    2-pentanone 1.65
    anisole 1.33
    cyclopentyl methyl ether 2.05
    gamma-butyrolactone 15.91
    1-methoxy-2-propanol 8.72
    pyridine 5.74
    3-pentanone 1.7
    furfural 17.39
    n-dodecane 0.02
    diethylene glycol 10.72
    diisopropyl ether 0.15
    tert-amyl alcohol 0.38
    acetylacetone 6.61
    n-hexadecane 0.02
    acetophenone 2.23
    methyl propionate 3.86
    isopentyl acetate 0.45
    trichloroethylene 6.01
    n-nonanol 0.53
    cyclohexanol 0.45
    benzyl alcohol 1.75
    2-ethylhexanol 0.17
    isooctanol 0.33
    dipropyl ether 0.59
    1,2-dichlorobenzene 0.7
    ethyl lactate 2.24
    propylene carbonate 4.31
    n-methylformamide 22.71
    2-pentanol 0.24
    n-pentane 0.03
    1-propoxy-2-propanol 3.1
    1-methoxy-2-propyl acetate 2.97
    2-(2-methoxypropoxy) propanol 3.07
    mesitylene 0.22
    ε-caprolactone 3.27
    p-cymene 0.16
    epichlorohydrin 11.16
    1,1,1-trichloroethane 0.82
    2-aminoethanol 4.8
    morpholine-4-carbaldehyde 42.97
    sulfolane 38.23
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.07
    n-hexyl acetate 1.18
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.18
    sec-butyl acetate 0.47
    tert-butyl acetate 1.05
    decalin 0.02
    glycerin 15.67
    diglyme 9.72
    acrylic acid 8.79
    isopropyl myristate 0.29
    n-butyric acid 2.14
    acetyl acetate 2.64
    di(2-ethylhexyl) phthalate 0.66
    ethyl propionate 1.09
    nitromethane 44.52
    1,2-diethoxyethane 1.74
    benzonitrile 1.16
    trioctyl phosphate 0.44
    1-bromopropane 0.37
    gamma-valerolactone 27.8
    n-decanol 0.3
    triethyl phosphate 0.55
    4-methyl-2-pentanol 0.15
    propionitrile 1.0
    vinylene carbonate 5.82
    1,1,2-trichlorotrifluoroethane 24.39
    DMS 2.54
    cumene 0.14
    2-octanol 0.31
    2-hexanone 1.01
    octyl acetate 0.58
    limonene 0.19
    1,2-dimethoxyethane 8.62
    ethyl orthosilicate 0.46
    tributyl phosphate 0.37
    diacetone alcohol 2.94
    N,N-dimethylaniline 1.26
    acrylonitrile 3.17
    aniline 1.25
    1,3-propanediol 3.61
    bromobenzene 0.6
    dibromomethane 1.25
    1,1,2,2-tetrachloroethane 4.26
    2-methyl-cyclohexyl acetate 0.58
    tetrabutyl urea 0.88
    diisobutyl methanol 0.11
    2-phenylethanol 1.16
    styrene 0.32
    dioctyl adipate 0.79
    dimethyl sulfate 20.96
    ethyl butyrate 0.71
    methyl lactate 8.91
    butyl lactate 1.78
    diethyl carbonate 0.54
    propanediol butyl ether 4.89
    triethyl orthoformate 0.83
    p-tert-butyltoluene 0.17
    methyl 4-tert-butylbenzoate 2.64
    morpholine 8.83
    tert-butylamine 0.14
    n-dodecanol 0.18
    dimethoxymethane 22.03
    ethylene carbonate 3.13
    cyrene 9.29
    2-ethoxyethyl acetate 3.34
    2-ethylhexyl acetate 0.35
    1,2,4-trichlorobenzene 1.22
    4-methylpyridine 2.64
    dibutyl ether 0.32
    2,6-dimethyl-4-heptanol 0.11
    DEF 4.35
    dimethyl isosorbide 6.08
    tetrachloroethylene 2.97
    eugenol 2.91
    triacetin 3.56
    span 80 3.05
    1,4-butanediol 2.04
    1,1-dichloroethane 0.84
    2-methyl-1-pentanol 0.26
    methyl formate 23.11
    2-methyl-1-butanol 0.29
    n-decane 0.04
    butyronitrile 0.51
    3,7-dimethyl-1-octanol 0.24
    1-chlorooctane 0.16
    1-chlorotetradecane 0.05
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.03
    cyclopentanol 1.07
    tetrahydropyran 1.72
    tert-amyl methyl ether 0.43
    2,5,8-trioxanonane 6.15
    1-hexene 0.1
    2-isopropoxyethanol 2.88
    2,2,2-trifluoroethanol 9.92
    methyl butyrate 1.39

    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