28-Hydroxy-28-oxoolean-12-en-3beta-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranosiduronic acid

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  • Identifiers

    CAS number
    38424-95-2

    Molecular formula
    C42H66O14

    SMILES
    C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 47.62%
    Odorless 46.38%
    Spicy 36.96%
    Balsamic 32.1%
    Amber 31.73%
    Dry 30.3%
    Cooling 26.34%
    Cedar 25.48%
    Sweet 24.18%
    Warm 23.34%

     

    Flavor
    Bitter 56.82%
    Odorless 28.9%
    Sweet-like 24.88%
    Sweet 24.4%
    Bland 23.22%
    Pine 22.51%
    Fatty 22.31%
    Cedarleaf 22.24%
    Patchouli 21.6%
    Woody 21.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    2.55 (strong acid)

    Molecular weight
    795.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    627°C

    Flash point

    • 280.93 ˚C est.

  • Synonyms

    • DTXSID401120829
    • (3I(2))-17-Carboxy-28-norolean-12-en-3-yl 4-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosiduronic acid
    • 28-Hydroxy-28-oxoolean-12-en-3beta-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranosiduronic acid
    • 38424-95-2
    • 38424-95-2

  • Applications

    28-Hydroxy-28-oxoolean-12-en-3beta-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranosiduronic acid, CAS 38424-95-2, is a triterpenoid glycoside based on an oleanane skeleton with surfactant-like and emulsifying properties. It may be used as a surfactant, emulsifier, and stabilizer in cosmetics and personal care; as a cleaning aid and emulsifier in household products; as an industrial processing aid (emulsifier, dispersant) in polymer manufacturing; as a pharmaceutical excipient or solubility enhancer; and as a potential adjuvant or functional additive in agricultural formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.89
    methanol 17.17
    isopropanol 0.55
    water 0.05
    ethyl acetate 1.18
    n-propanol 0.99
    acetone 3.31
    n-butanol 0.38
    acetonitrile 0.9
    DMF 39.37
    toluene 0.42
    isobutanol 0.36
    1,4-dioxane 7.05
    methyl acetate 1.67
    THF 15.03
    2-butanone 1.8
    n-pentanol 0.38
    sec-butanol 0.33
    n-hexane 0.02
    ethylene glycol 3.42
    NMP 32.43
    cyclohexane 0.03
    DMSO 30.76
    n-butyl acetate 0.54
    n-octanol 0.41
    chloroform 1.92
    n-propyl acetate 0.64
    acetic acid 16.83
    dichloromethane 1.83
    cyclohexanone 2.21
    propylene glycol 3.25
    isopropyl acetate 0.74
    DMAc 28.48
    2-ethoxyethanol 6.29
    isopentanol 0.23
    n-heptane 0.02
    ethyl formate 1.28
    1,2-dichloroethane 0.97
    n-hexanol 0.31
    2-methoxyethanol 15.85
    isobutyl acetate 0.35
    tetrachloromethane 0.26
    n-pentyl acetate 1.03
    transcutol 11.75
    n-heptanol 0.49
    ethylbenzene 0.16
    MIBK 0.64
    2-propoxyethanol 6.9
    tert-butanol 0.4
    MTBE 0.37
    2-butoxyethanol 4.1
    propionic acid 1.91
    o-xylene 0.29
    formic acid 21.23
    diethyl ether 0.62
    m-xylene 0.3
    p-xylene 0.2
    chlorobenzene 0.39
    dimethyl carbonate 4.31
    n-octane 0.02
    formamide 16.63
    cyclopentanone 7.03
    2-pentanone 1.1
    anisole 0.91
    cyclopentyl methyl ether 1.82
    gamma-butyrolactone 10.72
    1-methoxy-2-propanol 8.12
    pyridine 3.72
    3-pentanone 1.07
    furfural 10.45
    n-dodecane 0.01
    diethylene glycol 10.17
    diisopropyl ether 0.13
    tert-amyl alcohol 0.3
    acetylacetone 4.47
    n-hexadecane 0.01
    acetophenone 1.39
    methyl propionate 2.28
    isopentyl acetate 0.43
    trichloroethylene 3.41
    n-nonanol 0.42
    cyclohexanol 0.31
    benzyl alcohol 1.2
    2-ethylhexanol 0.14
    isooctanol 0.32
    dipropyl ether 0.48
    1,2-dichlorobenzene 0.43
    ethyl lactate 1.39
    propylene carbonate 2.73
    n-methylformamide 13.96
    2-pentanol 0.19
    n-pentane 0.02
    1-propoxy-2-propanol 3.29
    1-methoxy-2-propyl acetate 2.87
    2-(2-methoxypropoxy) propanol 3.18
    mesitylene 0.16
    ε-caprolactone 2.48
    p-cymene 0.12
    epichlorohydrin 8.63
    1,1,1-trichloroethane 0.52
    2-aminoethanol 3.93
    morpholine-4-carbaldehyde 31.78
    sulfolane 23.32
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.91
    n-hexyl acetate 1.04
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.76
    sec-butyl acetate 0.35
    tert-butyl acetate 0.94
    decalin 0.02
    glycerin 10.86
    diglyme 9.87
    acrylic acid 4.77
    isopropyl myristate 0.25
    n-butyric acid 1.36
    acetyl acetate 1.66
    di(2-ethylhexyl) phthalate 0.59
    ethyl propionate 0.65
    nitromethane 23.59
    1,2-diethoxyethane 1.63
    benzonitrile 0.63
    trioctyl phosphate 0.36
    1-bromopropane 0.22
    gamma-valerolactone 21.52
    n-decanol 0.24
    triethyl phosphate 0.41
    4-methyl-2-pentanol 0.14
    propionitrile 0.51
    vinylene carbonate 3.35
    1,1,2-trichlorotrifluoroethane 17.08
    DMS 1.73
    cumene 0.1
    2-octanol 0.24
    2-hexanone 0.65
    octyl acetate 0.48
    limonene 0.14
    1,2-dimethoxyethane 7.19
    ethyl orthosilicate 0.38
    tributyl phosphate 0.29
    diacetone alcohol 2.58
    N,N-dimethylaniline 0.84
    acrylonitrile 1.49
    aniline 0.77
    1,3-propanediol 2.79
    bromobenzene 0.33
    dibromomethane 0.68
    1,1,2,2-tetrachloroethane 2.45
    2-methyl-cyclohexyl acetate 0.54
    tetrabutyl urea 0.65
    diisobutyl methanol 0.11
    2-phenylethanol 1.04
    styrene 0.19
    dioctyl adipate 0.64
    dimethyl sulfate 10.37
    ethyl butyrate 0.52
    methyl lactate 5.26
    butyl lactate 1.54
    diethyl carbonate 0.36
    propanediol butyl ether 5.09
    triethyl orthoformate 0.68
    p-tert-butyltoluene 0.14
    methyl 4-tert-butylbenzoate 2.5
    morpholine 7.75
    tert-butylamine 0.11
    n-dodecanol 0.13
    dimethoxymethane 18.54
    ethylene carbonate 1.81
    cyrene 7.69
    2-ethoxyethyl acetate 3.06
    2-ethylhexyl acetate 0.31
    1,2,4-trichlorobenzene 0.76
    4-methylpyridine 1.67
    dibutyl ether 0.25
    2,6-dimethyl-4-heptanol 0.11
    DEF 2.72
    dimethyl isosorbide 6.59
    tetrachloroethylene 1.97
    eugenol 2.62
    triacetin 2.96
    span 80 2.96
    1,4-butanediol 1.28
    1,1-dichloroethane 0.5
    2-methyl-1-pentanol 0.21
    methyl formate 12.23
    2-methyl-1-butanol 0.23
    n-decane 0.03
    butyronitrile 0.29
    3,7-dimethyl-1-octanol 0.22
    1-chlorooctane 0.12
    1-chlorotetradecane 0.04
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.8
    tetrahydropyran 1.48
    tert-amyl methyl ether 0.36
    2,5,8-trioxanonane 5.88
    1-hexene 0.06
    2-isopropoxyethanol 2.43
    2,2,2-trifluoroethanol 5.25
    methyl butyrate 0.81

    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