beta-D-Glucopyranosyl (3beta,16alpha)-3-((O-beta-D-glucopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->3)-alpha-L-arabinopyranosyl)oxy)-16-hydroxyolean-12-en-28-oate

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  • Identifiers

    CAS number
    289649-66-7

    Molecular formula
    C53H86O23

    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](CO7)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 58.07%
    Woody 36.94%
    Sweet 33.62%
    Spicy 28.42%
    Cooling 26.8%
    Balsamic 23.96%
    Mint 23.12%
    Amber 22.15%
    Dry 21.98%
    Warm 20.86%

     

    Flavor
    Bitter 56.78%
    Sweet 35.83%
    Odorless 32.7%
    Fatty 30.7%
    Sweet-like 28.3%
    Bland 24.56%
    Cedarleaf 21.45%
    Patchouli 20.89%
    Mentholic 20.66%
    Old paper 20.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    3.02 (weak acid)

    Molecular weight
    1091.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3478°C

    Flash point

    • 231.98 ˚C est.

  • Synonyms

    • 289649-66-7
    • beta-D-Glucopyranosyl (3beta,16alpha)-3-((O-beta-D-glucopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->3)-alpha-L-arabinopyranosyl)oxy)-16-hydroxyolean-12-en-28-oate
    • beta-D-Glucopyranosyl (3beta,16alpha)-3-[(O-beta-D-glucopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->3)-alpha-L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oate
    • RefChem:329021
    • DTXSID601101102
    • I(2)-D-Glucopyranosyl (3I(2),16I+/-)-3-[(O-I(2)-D-glucopyranosyl-(1a3)-O-I(2)-D-glucopyranosyl-(1a3)-I+/--L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oate
    • 289649-66-7

  • Applications

    beta-D-Glucopyranosyl (3beta,16alpha)-3-((O-beta-D-glucopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->3)-alpha-L-arabinopyranosyl)oxy)-16-hydroxyolean-12-en-28-oate (CAS 289649-66-7) is a glycoside triterpenoid of the oleanane type. In industry, it is considered a natural surfactant with foaming and emulsifying properties, suitable for use in cosmetics and personal care formulations as well as in household cleaners; it may also act as a stabilizer and additive in polymer or plastics formulations. As a glycosylated triterpenoid scaffold, it is commonly evaluated as a synthetic intermediate or lead compound in glycosylation-based synthesis and research on bioactive natural products, and may be explored for applications in food processing and agricultural formulation as an additive or functional ingredient.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.43
    methanol 17.94
    isopropanol 0.45
    water 0.1
    ethyl acetate 1.53
    n-propanol 0.84
    acetone 3.0
    n-butanol 0.33
    acetonitrile 1.27
    DMF 41.57
    toluene 0.51
    isobutanol 0.32
    1,4-dioxane 6.6
    methyl acetate 2.16
    THF 11.41
    2-butanone 1.87
    n-pentanol 0.34
    sec-butanol 0.29
    n-hexane 0.02
    ethylene glycol 3.86
    NMP 42.38
    cyclohexane 0.04
    DMSO 34.81
    n-butyl acetate 0.68
    n-octanol 0.46
    chloroform 2.56
    n-propyl acetate 0.82
    acetic acid 19.66
    dichloromethane 2.59
    cyclohexanone 2.5
    propylene glycol 3.14
    isopropyl acetate 0.87
    DMAc 33.45
    2-ethoxyethanol 5.67
    isopentanol 0.2
    n-heptane 0.04
    ethyl formate 1.67
    1,2-dichloroethane 1.22
    n-hexanol 0.3
    2-methoxyethanol 13.1
    isobutyl acetate 0.42
    tetrachloromethane 0.3
    n-pentyl acetate 1.24
    transcutol 11.59
    n-heptanol 0.55
    ethylbenzene 0.18
    MIBK 0.63
    2-propoxyethanol 6.12
    tert-butanol 0.36
    MTBE 0.35
    2-butoxyethanol 4.31
    propionic acid 2.51
    o-xylene 0.37
    formic acid 33.12
    diethyl ether 0.61
    m-xylene 0.35
    p-xylene 0.24
    chlorobenzene 0.51
    dimethyl carbonate 6.32
    n-octane 0.02
    formamide 21.87
    cyclopentanone 6.97
    2-pentanone 1.14
    anisole 1.02
    cyclopentyl methyl ether 1.86
    gamma-butyrolactone 12.45
    1-methoxy-2-propanol 6.55
    pyridine 4.36
    3-pentanone 1.29
    furfural 14.65
    n-dodecane 0.01
    diethylene glycol 9.57
    diisopropyl ether 0.13
    tert-amyl alcohol 0.29
    acetylacetone 4.93
    n-hexadecane 0.02
    acetophenone 1.79
    methyl propionate 3.0
    isopentyl acetate 0.52
    trichloroethylene 4.4
    n-nonanol 0.49
    cyclohexanol 0.34
    benzyl alcohol 1.26
    2-ethylhexanol 0.17
    isooctanol 0.35
    dipropyl ether 0.56
    1,2-dichlorobenzene 0.62
    ethyl lactate 1.84
    propylene carbonate 3.98
    n-methylformamide 15.79
    2-pentanol 0.17
    n-pentane 0.02
    1-propoxy-2-propanol 3.16
    1-methoxy-2-propyl acetate 3.44
    2-(2-methoxypropoxy) propanol 3.63
    mesitylene 0.19
    ε-caprolactone 2.96
    p-cymene 0.17
    epichlorohydrin 9.17
    1,1,1-trichloroethane 0.65
    2-aminoethanol 3.97
    morpholine-4-carbaldehyde 36.77
    sulfolane 30.68
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.75
    n-hexyl acetate 1.19
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.99
    sec-butyl acetate 0.42
    tert-butyl acetate 1.01
    decalin 0.02
    glycerin 11.38
    diglyme 10.85
    acrylic acid 6.93
    isopropyl myristate 0.29
    n-butyric acid 1.66
    acetyl acetate 2.38
    di(2-ethylhexyl) phthalate 0.73
    ethyl propionate 0.86
    nitromethane 32.35
    1,2-diethoxyethane 1.67
    benzonitrile 0.86
    trioctyl phosphate 0.45
    1-bromopropane 0.27
    gamma-valerolactone 22.97
    n-decanol 0.27
    triethyl phosphate 0.62
    4-methyl-2-pentanol 0.12
    propionitrile 0.68
    vinylene carbonate 5.35
    1,1,2-trichlorotrifluoroethane 22.91
    DMS 2.44
    cumene 0.13
    2-octanol 0.26
    2-hexanone 0.73
    octyl acetate 0.6
    limonene 0.2
    1,2-dimethoxyethane 6.64
    ethyl orthosilicate 0.53
    tributyl phosphate 0.37
    diacetone alcohol 2.52
    N,N-dimethylaniline 1.0
    acrylonitrile 2.12
    aniline 0.88
    1,3-propanediol 2.34
    bromobenzene 0.45
    dibromomethane 0.92
    1,1,2,2-tetrachloroethane 2.88
    2-methyl-cyclohexyl acetate 0.72
    tetrabutyl urea 0.82
    diisobutyl methanol 0.12
    2-phenylethanol 1.15
    styrene 0.23
    dioctyl adipate 0.82
    dimethyl sulfate 15.15
    ethyl butyrate 0.71
    methyl lactate 7.06
    butyl lactate 1.85
    diethyl carbonate 0.53
    propanediol butyl ether 4.85
    triethyl orthoformate 0.94
    p-tert-butyltoluene 0.19
    methyl 4-tert-butylbenzoate 3.07
    morpholine 6.81
    tert-butylamine 0.11
    n-dodecanol 0.15
    dimethoxymethane 17.66
    ethylene carbonate 2.77
    cyrene 9.28
    2-ethoxyethyl acetate 3.75
    2-ethylhexyl acetate 0.41
    1,2,4-trichlorobenzene 1.06
    4-methylpyridine 1.87
    dibutyl ether 0.27
    2,6-dimethyl-4-heptanol 0.12
    DEF 3.27
    dimethyl isosorbide 8.15
    tetrachloroethylene 2.35
    eugenol 3.26
    triacetin 3.93
    span 80 3.42
    1,4-butanediol 1.25
    1,1-dichloroethane 0.57
    2-methyl-1-pentanol 0.2
    methyl formate 14.99
    2-methyl-1-butanol 0.22
    n-decane 0.03
    butyronitrile 0.35
    3,7-dimethyl-1-octanol 0.24
    1-chlorooctane 0.15
    1-chlorotetradecane 0.04
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.02
    cyclopentanol 0.81
    tetrahydropyran 1.33
    tert-amyl methyl ether 0.37
    2,5,8-trioxanonane 6.96
    1-hexene 0.07
    2-isopropoxyethanol 2.37
    2,2,2-trifluoroethanol 7.96
    methyl butyrate 1.04

    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