(3I(2),4I+/-,16I+/-,21I(2),22I+/-)-28-(Acetyloxy)-16,22-dihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-butenyl]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
    316157-17-2

    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)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)C)C)[C@@H]2CC1(C)C)C)O)COC(=O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 66.31%
    Sweet 27.85%
    Cooling 25.91%
    Woody 25.43%
    Spicy 24.42%
    Mint 22.58%
    Milky 20.18%
    Warm 18.25%
    Vanilla 17.62%
    Dry 16.77%

     

    Flavor
    Bitter 72.38%
    Odorless 30.54%
    Sweet-like 27.02%
    Bland 26.43%
    Fatty 26.02%
    Cedarleaf 21.85%
    Ripe apricot 19.96%
    Naphthalic 19.88%
    Parsley 19.84%
    Patchouli 19.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.0

    pKa est.
    0.33 (strong acid)

    Molecular weight
    1261.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3707°C

    Flash point

    • 178.53 ˚C est.

  • Synonyms

    • DTXSID701098087
    • (3I(2),4I+/-,16I+/-,21I(2),22I+/-)-28-(Acetyloxy)-16,22-dihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-butenyl]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
    • 316157-17-2
    • 316157-17-2

  • Applications

    This compound, (3I(2),4I+/-,16I+/-,21I(2),22I+/-)-28-(Acetyloxy)-16,22-dihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-butenyl]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 316157-17-2, is a complex oleanane-type triterpenoid glycoside with multiple sugars. It is typically explored for its surface-active properties and can function as a surfactant, emulsifier, or foaming agent in formulation work. It is often considered as a pharmaceutical excipient or vaccine adjuvant ingredient where permitted by regulation. In the personal care and household cleaning sectors, it may serve as a surfactant and stabilizer in cleansers, shampoos, and detergents. In agrochemical formulations, it can act as an adjuvant to improve product efficacy and droplet spread. In coatings and inks, it can be used as a surface-active additive to modify wetting, rheology, and stability. Regulatory status and formulation limits apply.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.23
    methanol 20.4
    isopropanol 0.85
    water 0.18
    ethyl acetate 1.98
    n-propanol 1.24
    acetone 5.75
    n-butanol 0.53
    acetonitrile 2.16
    DMF 76.79
    toluene 0.68
    isobutanol 0.48
    1,4-dioxane 9.5
    methyl acetate 3.49
    THF 15.73
    2-butanone 2.94
    n-pentanol 0.5
    sec-butanol 0.49
    n-hexane 0.03
    ethylene glycol 6.68
    NMP 53.32
    cyclohexane 0.05
    DMSO 62.83
    n-butyl acetate 0.68
    n-octanol 0.54
    chloroform 3.65
    n-propyl acetate 1.05
    acetic acid 27.71
    dichloromethane 3.81
    cyclohexanone 3.29
    propylene glycol 5.17
    isopropyl acetate 1.06
    DMAc 48.08
    2-ethoxyethanol 7.75
    isopentanol 0.29
    n-heptane 0.04
    ethyl formate 2.49
    1,2-dichloroethane 1.83
    n-hexanol 0.36
    2-methoxyethanol 19.79
    isobutyl acetate 0.46
    tetrachloromethane 0.4
    n-pentyl acetate 1.26
    transcutol 11.24
    n-heptanol 0.6
    ethylbenzene 0.25
    MIBK 0.85
    2-propoxyethanol 6.68
    tert-butanol 0.59
    MTBE 0.46
    2-butoxyethanol 4.05
    propionic acid 3.66
    o-xylene 0.49
    formic acid 39.38
    diethyl ether 0.86
    m-xylene 0.43
    p-xylene 0.33
    chlorobenzene 0.64
    dimethyl carbonate 9.4
    n-octane 0.03
    formamide 31.84
    cyclopentanone 10.46
    2-pentanone 1.74
    anisole 1.34
    cyclopentyl methyl ether 2.14
    gamma-butyrolactone 17.18
    1-methoxy-2-propanol 10.04
    pyridine 5.84
    3-pentanone 1.8
    furfural 17.88
    n-dodecane 0.02
    diethylene glycol 12.08
    diisopropyl ether 0.16
    tert-amyl alcohol 0.42
    acetylacetone 7.23
    n-hexadecane 0.02
    acetophenone 2.23
    methyl propionate 4.28
    isopentyl acetate 0.47
    trichloroethylene 6.24
    n-nonanol 0.56
    cyclohexanol 0.48
    benzyl alcohol 1.76
    2-ethylhexanol 0.17
    isooctanol 0.36
    dipropyl ether 0.63
    1,2-dichlorobenzene 0.7
    ethyl lactate 2.35
    propylene carbonate 4.61
    n-methylformamide 25.82
    2-pentanol 0.27
    n-pentane 0.03
    1-propoxy-2-propanol 3.41
    1-methoxy-2-propyl acetate 3.2
    2-(2-methoxypropoxy) propanol 3.39
    mesitylene 0.22
    ε-caprolactone 3.43
    p-cymene 0.16
    epichlorohydrin 11.78
    1,1,1-trichloroethane 0.87
    2-aminoethanol 5.45
    morpholine-4-carbaldehyde 45.56
    sulfolane 40.52
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.18
    n-hexyl acetate 1.25
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.65
    sec-butyl acetate 0.49
    tert-butyl acetate 1.12
    decalin 0.02
    glycerin 17.58
    diglyme 10.58
    acrylic acid 9.56
    isopropyl myristate 0.31
    n-butyric acid 2.29
    acetyl acetate 2.82
    di(2-ethylhexyl) phthalate 0.7
    ethyl propionate 1.14
    nitromethane 49.13
    1,2-diethoxyethane 1.88
    benzonitrile 1.17
    trioctyl phosphate 0.47
    1-bromopropane 0.39
    gamma-valerolactone 28.78
    n-decanol 0.32
    triethyl phosphate 0.57
    4-methyl-2-pentanol 0.16
    propionitrile 1.08
    vinylene carbonate 6.06
    1,1,2-trichlorotrifluoroethane 25.71
    DMS 2.7
    cumene 0.14
    2-octanol 0.33
    2-hexanone 1.02
    octyl acetate 0.62
    limonene 0.19
    1,2-dimethoxyethane 9.45
    ethyl orthosilicate 0.47
    tributyl phosphate 0.39
    diacetone alcohol 3.22
    N,N-dimethylaniline 1.28
    acrylonitrile 3.35
    aniline 1.3
    1,3-propanediol 4.04
    bromobenzene 0.59
    dibromomethane 1.3
    1,1,2,2-tetrachloroethane 4.47
    2-methyl-cyclohexyl acetate 0.59
    tetrabutyl urea 0.93
    diisobutyl methanol 0.12
    2-phenylethanol 1.2
    styrene 0.31
    dioctyl adipate 0.84
    dimethyl sulfate 22.64
    ethyl butyrate 0.75
    methyl lactate 9.91
    butyl lactate 1.88
    diethyl carbonate 0.57
    propanediol butyl ether 5.32
    triethyl orthoformate 0.87
    p-tert-butyltoluene 0.18
    methyl 4-tert-butylbenzoate 2.85
    morpholine 9.68
    tert-butylamine 0.16
    n-dodecanol 0.19
    dimethoxymethane 25.48
    ethylene carbonate 3.33
    cyrene 9.54
    2-ethoxyethyl acetate 3.62
    2-ethylhexyl acetate 0.37
    1,2,4-trichlorobenzene 1.23
    4-methylpyridine 2.72
    dibutyl ether 0.34
    2,6-dimethyl-4-heptanol 0.12
    DEF 4.7
    dimethyl isosorbide 6.54
    tetrachloroethylene 3.12
    eugenol 3.04
    triacetin 3.79
    span 80 3.38
    1,4-butanediol 2.14
    1,1-dichloroethane 0.9
    2-methyl-1-pentanol 0.26
    methyl formate 25.86
    2-methyl-1-butanol 0.31
    n-decane 0.04
    butyronitrile 0.54
    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 1.85
    tert-amyl methyl ether 0.46
    2,5,8-trioxanonane 6.84
    1-hexene 0.1
    2-isopropoxyethanol 3.08
    2,2,2-trifluoroethanol 11.04
    methyl butyrate 1.44

    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