beta-D-Glucopyranosiduronic acid, (3beta)-18-hydroxy-16-oxo-28-norolean-12-en-3-yl O-beta-D-galactopyranosyl-(1-2)-O-(O-beta-D-glucopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-3))-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    96827-23-5

    Molecular formula
    C53H84O24

    SMILES
    CC1(CCC2C(=O)CC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)C)C2(C1)O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 59.1%
    Sweet 34.09%
    Woody 33.79%
    Spicy 30.8%
    Cooling 26.5%
    Mint 22.43%
    Balsamic 22.38%
    Dry 20.92%
    Warm 20.61%
    Amber 20.07%

     

    Flavor
    Bitter 59.41%
    Odorless 32.9%
    Fatty 31.78%
    Sweet 31.11%
    Sweet-like 28.32%
    Bland 25.14%
    Cedarleaf 21.68%
    Mentholic 20.65%
    Patchouli 20.56%
    Cauliflower 20.54%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    1.74 (strong acid)

    Molecular weight
    1105.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3419°C

    Flash point

    • 209.99 ˚C est.

  • Synonyms

    • 96827-23-5
    • DTXSID901099431
    • beta-D-Glucopyranosiduronic acid, (3beta)-18-hydroxy-16-oxo-28-norolean-12-en-3-yl O-beta-D-galactopyranosyl-(1-2)-O-(O-beta-D-glucopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-3))-
    • I(2)-D-Glucopyranosiduronic acid, (3I(2))-18-hydroxy-16-oxo-28-norolean-12-en-3-yl O-I(2)-D-galactopyranosyl-(1a2)-O-[O-I(2)-D-glucopyranosyl-(1a2)-I(2)-D-galactopyranosyl-(1a3)]-
    • 96827-23-5

  • Applications

    Chemical name: beta-D-Glucopyranosiduronic acid, (3beta)-18-hydroxy-16-oxo-28-norolean-12-en-3-yl O-beta-D-galactopyranosyl-(1-2)-O-(O-beta-D-glucopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-3))-, CAS number: 96827-23-5, is a complex triterpenoid glycoside that is typically considered a specialty intermediate with surfactant and emulsifier potential. In practice, it may function as a surfactant or emulsifier in cosmetics and personal care formulations, in household and cleaning products, and in coatings/inks or adhesive systems where wetting, dispersion, or stabilizing action is desired. It can also serve as an intermediate in pharmaceutical research or in industrial formulation development, where natural glycoside moieties are leveraged for solubility and compatibility, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.5
    methanol 14.71
    isopropanol 0.43
    water 0.12
    ethyl acetate 0.93
    n-propanol 0.73
    acetone 2.81
    n-butanol 0.27
    acetonitrile 1.04
    DMF 31.58
    toluene 0.3
    isobutanol 0.27
    1,4-dioxane 4.05
    methyl acetate 1.5
    THF 7.18
    2-butanone 1.39
    n-pentanol 0.26
    sec-butanol 0.24
    n-hexane 0.02
    ethylene glycol 3.71
    NMP 26.55
    cyclohexane 0.03
    DMSO 37.68
    n-butyl acetate 0.45
    n-octanol 0.32
    chloroform 1.54
    n-propyl acetate 0.52
    acetic acid 14.95
    dichloromethane 1.75
    cyclohexanone 1.5
    propylene glycol 2.53
    isopropyl acetate 0.5
    DMAc 22.26
    2-ethoxyethanol 3.89
    isopentanol 0.16
    n-heptane 0.02
    ethyl formate 1.25
    1,2-dichloroethane 0.91
    n-hexanol 0.22
    2-methoxyethanol 9.35
    isobutyl acetate 0.27
    tetrachloromethane 0.2
    n-pentyl acetate 0.83
    transcutol 6.97
    n-heptanol 0.39
    ethylbenzene 0.11
    MIBK 0.45
    2-propoxyethanol 3.88
    tert-butanol 0.28
    MTBE 0.23
    2-butoxyethanol 2.93
    propionic acid 1.81
    o-xylene 0.21
    formic acid 29.06
    diethyl ether 0.44
    m-xylene 0.2
    p-xylene 0.14
    chlorobenzene 0.3
    dimethyl carbonate 3.61
    n-octane 0.02
    formamide 19.49
    cyclopentanone 4.26
    2-pentanone 0.82
    anisole 0.56
    cyclopentyl methyl ether 0.99
    gamma-butyrolactone 7.62
    1-methoxy-2-propanol 4.42
    pyridine 2.73
    3-pentanone 0.79
    furfural 8.99
    n-dodecane 0.01
    diethylene glycol 6.86
    diisopropyl ether 0.09
    tert-amyl alcohol 0.21
    acetylacetone 3.13
    n-hexadecane 0.01
    acetophenone 1.02
    methyl propionate 1.85
    isopentyl acetate 0.34
    trichloroethylene 2.75
    n-nonanol 0.33
    cyclohexanol 0.22
    benzyl alcohol 0.78
    2-ethylhexanol 0.12
    isooctanol 0.24
    dipropyl ether 0.37
    1,2-dichlorobenzene 0.35
    ethyl lactate 1.11
    propylene carbonate 2.08
    n-methylformamide 12.49
    2-pentanol 0.13
    n-pentane 0.02
    1-propoxy-2-propanol 1.99
    1-methoxy-2-propyl acetate 1.94
    2-(2-methoxypropoxy) propanol 2.35
    mesitylene 0.11
    ε-caprolactone 1.64
    p-cymene 0.11
    epichlorohydrin 5.63
    1,1,1-trichloroethane 0.37
    2-aminoethanol 3.26
    morpholine-4-carbaldehyde 21.12
    sulfolane 19.38
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.02
    n-hexyl acetate 0.77
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 3.1
    sec-butyl acetate 0.25
    tert-butyl acetate 0.57
    decalin 0.01
    glycerin 8.7
    diglyme 6.85
    acrylic acid 4.61
    isopropyl myristate 0.18
    n-butyric acid 1.06
    acetyl acetate 1.35
    di(2-ethylhexyl) phthalate 0.48
    ethyl propionate 0.5
    nitromethane 22.92
    1,2-diethoxyethane 1.07
    benzonitrile 0.56
    trioctyl phosphate 0.3
    1-bromopropane 0.2
    gamma-valerolactone 13.22
    n-decanol 0.19
    triethyl phosphate 0.36
    4-methyl-2-pentanol 0.09
    propionitrile 0.51
    vinylene carbonate 2.8
    1,1,2-trichlorotrifluoroethane 13.11
    DMS 1.46
    cumene 0.08
    2-octanol 0.19
    2-hexanone 0.51
    octyl acetate 0.38
    limonene 0.13
    1,2-dimethoxyethane 4.49
    ethyl orthosilicate 0.3
    tributyl phosphate 0.24
    diacetone alcohol 1.67
    N,N-dimethylaniline 0.57
    acrylonitrile 1.54
    aniline 0.55
    1,3-propanediol 1.88
    bromobenzene 0.27
    dibromomethane 0.66
    1,1,2,2-tetrachloroethane 1.9
    2-methyl-cyclohexyl acetate 0.4
    tetrabutyl urea 0.56
    diisobutyl methanol 0.08
    2-phenylethanol 0.71
    styrene 0.13
    dioctyl adipate 0.49
    dimethyl sulfate 9.1
    ethyl butyrate 0.42
    methyl lactate 4.21
    butyl lactate 1.27
    diethyl carbonate 0.3
    propanediol butyl ether 3.3
    triethyl orthoformate 0.51
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 1.9
    morpholine 4.17
    tert-butylamine 0.08
    n-dodecanol 0.11
    dimethoxymethane 11.65
    ethylene carbonate 1.45
    cyrene 5.55
    2-ethoxyethyl acetate 2.38
    2-ethylhexyl acetate 0.26
    1,2,4-trichlorobenzene 0.6
    4-methylpyridine 1.2
    dibutyl ether 0.18
    2,6-dimethyl-4-heptanol 0.08
    DEF 2.02
    dimethyl isosorbide 4.73
    tetrachloroethylene 1.57
    eugenol 2.11
    triacetin 2.41
    span 80 2.13
    1,4-butanediol 1.02
    1,1-dichloroethane 0.41
    2-methyl-1-pentanol 0.15
    methyl formate 11.84
    2-methyl-1-butanol 0.17
    n-decane 0.02
    butyronitrile 0.26
    3,7-dimethyl-1-octanol 0.16
    1-chlorooctane 0.1
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.5
    tetrahydropyran 0.82
    tert-amyl methyl ether 0.23
    2,5,8-trioxanonane 4.48
    1-hexene 0.05
    2-isopropoxyethanol 1.61
    2,2,2-trifluoroethanol 5.88
    methyl butyrate 0.64

    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