Olean-12-en-28-oic acid, 3-[(3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy]-16,23-dihydroxy-, beta-D-glucopyranosyl ester, (3beta,4alpha,16alpha)-

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  • Identifiers

    CAS number
    289649-65-6

    Molecular formula
    C47H76O19

    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)CO)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)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 55.85%
    Woody 39.78%
    Sweet 32.6%
    Spicy 29.71%
    Cooling 27.11%
    Balsamic 25.44%
    Mint 24.28%
    Amber 24.0%
    Dry 23.0%
    Warm 21.68%

     

    Flavor
    Bitter 59.45%
    Sweet 32.85%
    Odorless 31.58%
    Fatty 30.99%
    Sweet-like 27.9%
    Bland 24.52%
    Cedarleaf 21.75%
    Patchouli 21.12%
    Soil 20.67%
    Mentholic 20.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    3.39 (weak acid)

    Molecular weight
    945.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3037°C

    Flash point

    • 271.08 ˚C est.

  • Synonyms

    • 289649-65-6
    • Olean-12-en-28-oic acid, 3-((3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy)-16,23-dihydroxy-, beta-D-glucopyranosyl ester, (3beta,4alpha,16alpha)-
    • Olean-12-en-28-oic acid, 3-[(3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy]-16,23-dihydroxy-, beta-D-glucopyranosyl ester, (3beta,4alpha,16alpha)-
    • RefChem:366964
    • DTXSID001101873
    • Olean-12-en-28-oic acid, 3-[(3-O-I(2)-D-glucopyranosyl-I+/--L-arabinopyranosyl)oxy]-16,23-dihydroxy-, I(2)-D-glucopyranosyl ester, (3I(2),4I+/-,16I+/-)-
    • 289649-65-6

  • Applications

    Olean-12-en-28-oic acid, 3-[(3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy]-16,23-dihydroxy-, beta-D-glucopyranosyl ester, (3beta,4alpha,16alpha)- (CAS 289649-65-6) is a glycosylated triterpenoid derivative that may function as a surfactant or emulsifier in cosmetics and personal care formulations, as a cleansing and foaming agent in household cleaners, and as an emulsion stabilizer in various products. It may also be evaluated as an intermediate or excipient in pharmaceutical synthesis of saponin-type natural products, and as an adjuvant or formulation aid in agricultural formulations to improve spread and wetting of active ingredients. In coatings, inks, and related formulations, it can function as a surfactant/additive to improve wetting, dispersion, and stability of pigment systems. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.25
    methanol 18.75
    isopropanol 0.37
    water 0.07
    ethyl acetate 1.08
    n-propanol 0.79
    acetone 2.09
    n-butanol 0.34
    acetonitrile 0.79
    DMF 30.03
    toluene 0.39
    isobutanol 0.29
    1,4-dioxane 5.36
    methyl acetate 1.46
    THF 9.73
    2-butanone 1.42
    n-pentanol 0.29
    sec-butanol 0.26
    n-hexane 0.01
    ethylene glycol 3.52
    NMP 34.61
    cyclohexane 0.03
    DMSO 24.8
    n-butyl acetate 0.45
    n-octanol 0.34
    chloroform 2.19
    n-propyl acetate 0.52
    acetic acid 16.92
    dichloromethane 2.1
    cyclohexanone 2.14
    propylene glycol 3.02
    isopropyl acetate 0.61
    DMAc 23.67
    2-ethoxyethanol 4.74
    isopentanol 0.2
    n-heptane 0.02
    ethyl formate 1.37
    1,2-dichloroethane 0.95
    n-hexanol 0.26
    2-methoxyethanol 13.23
    isobutyl acetate 0.26
    tetrachloromethane 0.26
    n-pentyl acetate 0.88
    transcutol 8.83
    n-heptanol 0.45
    ethylbenzene 0.13
    MIBK 0.48
    2-propoxyethanol 5.43
    tert-butanol 0.28
    MTBE 0.25
    2-butoxyethanol 3.71
    propionic acid 2.15
    o-xylene 0.26
    formic acid 29.51
    diethyl ether 0.46
    m-xylene 0.27
    p-xylene 0.15
    chlorobenzene 0.39
    dimethyl carbonate 4.23
    n-octane 0.01
    formamide 18.84
    cyclopentanone 5.84
    2-pentanone 0.93
    anisole 0.74
    cyclopentyl methyl ether 1.54
    gamma-butyrolactone 9.64
    1-methoxy-2-propanol 5.99
    pyridine 3.32
    3-pentanone 0.95
    furfural 11.4
    n-dodecane 0.01
    diethylene glycol 8.59
    diisopropyl ether 0.09
    tert-amyl alcohol 0.24
    acetylacetone 3.51
    n-hexadecane 0.01
    acetophenone 1.2
    methyl propionate 2.12
    isopentyl acetate 0.37
    trichloroethylene 3.46
    n-nonanol 0.36
    cyclohexanol 0.33
    benzyl alcohol 1.06
    2-ethylhexanol 0.14
    isooctanol 0.28
    dipropyl ether 0.37
    1,2-dichlorobenzene 0.46
    ethyl lactate 1.35
    propylene carbonate 3.12
    n-methylformamide 12.91
    2-pentanol 0.16
    n-pentane 0.02
    1-propoxy-2-propanol 2.51
    1-methoxy-2-propyl acetate 2.49
    2-(2-methoxypropoxy) propanol 2.77
    mesitylene 0.14
    ε-caprolactone 2.62
    p-cymene 0.11
    epichlorohydrin 7.39
    1,1,1-trichloroethane 0.47
    2-aminoethanol 3.92
    morpholine-4-carbaldehyde 30.79
    sulfolane 24.54
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.44
    n-hexyl acetate 0.87
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 3.9
    sec-butyl acetate 0.28
    tert-butyl acetate 0.71
    decalin 0.01
    glycerin 11.5
    diglyme 8.59
    acrylic acid 5.59
    isopropyl myristate 0.19
    n-butyric acid 1.54
    acetyl acetate 1.63
    di(2-ethylhexyl) phthalate 0.53
    ethyl propionate 0.56
    nitromethane 22.91
    1,2-diethoxyethane 1.14
    benzonitrile 0.63
    trioctyl phosphate 0.32
    1-bromopropane 0.21
    gamma-valerolactone 20.52
    n-decanol 0.19
    triethyl phosphate 0.41
    4-methyl-2-pentanol 0.11
    propionitrile 0.47
    vinylene carbonate 4.19
    1,1,2-trichlorotrifluoroethane 19.71
    DMS 1.63
    cumene 0.08
    2-octanol 0.19
    2-hexanone 0.5
    octyl acetate 0.4
    limonene 0.14
    1,2-dimethoxyethane 5.39
    ethyl orthosilicate 0.36
    tributyl phosphate 0.26
    diacetone alcohol 2.02
    N,N-dimethylaniline 0.68
    acrylonitrile 1.4
    aniline 0.76
    1,3-propanediol 2.51
    bromobenzene 0.32
    dibromomethane 0.74
    1,1,2,2-tetrachloroethane 2.31
    2-methyl-cyclohexyl acetate 0.49
    tetrabutyl urea 0.55
    diisobutyl methanol 0.09
    2-phenylethanol 0.94
    styrene 0.16
    dioctyl adipate 0.54
    dimethyl sulfate 10.53
    ethyl butyrate 0.45
    methyl lactate 5.76
    butyl lactate 1.44
    diethyl carbonate 0.33
    propanediol butyl ether 4.05
    triethyl orthoformate 0.61
    p-tert-butyltoluene 0.12
    methyl 4-tert-butylbenzoate 2.24
    morpholine 6.1
    tert-butylamine 0.08
    n-dodecanol 0.11
    dimethoxymethane 13.45
    ethylene carbonate 2.24
    cyrene 7.31
    2-ethoxyethyl acetate 2.67
    2-ethylhexyl acetate 0.29
    1,2,4-trichlorobenzene 0.79
    4-methylpyridine 1.45
    dibutyl ether 0.17
    2,6-dimethyl-4-heptanol 0.09
    DEF 2.59
    dimethyl isosorbide 6.02
    tetrachloroethylene 2.0
    eugenol 2.43
    triacetin 2.76
    span 80 2.68
    1,4-butanediol 1.07
    1,1-dichloroethane 0.44
    2-methyl-1-pentanol 0.18
    methyl formate 11.43
    2-methyl-1-butanol 0.22
    n-decane 0.02
    butyronitrile 0.28
    3,7-dimethyl-1-octanol 0.17
    1-chlorooctane 0.1
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.74
    tetrahydropyran 1.16
    tert-amyl methyl ether 0.28
    2,5,8-trioxanonane 5.33
    1-hexene 0.05
    2-isopropoxyethanol 1.81
    2,2,2-trifluoroethanol 6.41
    methyl butyrate 0.73

    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