NCGC00384763-01_C54H86O24_1-O-(3-{[Hexopyranosyl-(1->3)-[hexopyranosyl-(1->4)]hexopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl)hexopyranose

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  • Identifiers

    CAS number
    29660-94-4

    Molecular formula
    C54H86O24

    SMILES
    CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)C2C1)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 60.09%
    Woody 33.76%
    Sweet 27.88%
    Spicy 27.77%
    Cooling 25.79%
    Balsamic 22.93%
    Amber 22.09%
    Dry 21.76%
    Mint 20.68%
    Warm 19.85%

     

    Flavor
    Bitter 58.02%
    Odorless 33.94%
    Sweet 32.73%
    Fatty 28.76%
    Sweet-like 28.22%
    Bland 25.86%
    Cedarleaf 21.56%
    Patchouli 20.77%
    Mentholic 20.5%
    Soil 20.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    1.95 (strong acid)

    Molecular weight
    1119.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3182°C

    Flash point

    • 224.7 ˚C est.

  • Synonyms

    • NCGC00384763-01_C54H86O24_1-O-(3-{[Hexopyranosyl-(1->3)-[hexopyranosyl-(1->4)]hexopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl)hexopyranose
    • 29660-94-4
    • 6-[[4,4,6a,6b,11,11,14b-heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-hydroxy-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
    • Compound NP-014590
    • CHEBI:181236
    • AKOS040738862
    • NCGC00384763-01
    • 29660-94-4

  • Applications

    NCGC00384763-01_C54H86O24_1-O-(3-{[Hexopyranosyl-(1->3)-[hexopyranosyl-(1->4)]hexopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl)hexopyranose (CAS 29660-94-4) is a complex glycosylated triterpenoid that is commonly evaluated for use as a natural surfactant and emulsifier in cosmetic and personal care formulations. The molecule’s multiple sugar units and rigid oleanane core enable stabilization of oil-in-water emulsions and can contribute to foam generation, supporting cleansers, shampoos, and moisturizers. In household products, it may function as a biosourced surfactant/foaming agent, contributing to cleaning performance with reduced reliance on synthetic surfactants. In pharmaceutical settings, it can act as a formulation excipient or solubilizer to aid dispersion or stabilization of poorly water-soluble actives, subject to regulatory limits. In polymer and plastics processing, it may serve as a processing aid or compatibility modifier to improve the mixing of hydrophobic components with polymers. Additionally, it may be evaluated as a natural adjuvant or formulation aid in agrochemical products to improve wetting and stability. Subject to local regulations and formulation limits, these potential applications reflect the glycoside-based surfactant character of the compound.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.03
    methanol 17.96
    isopropanol 0.7
    water 0.1
    ethyl acetate 1.47
    n-propanol 1.03
    acetone 4.27
    n-butanol 0.39
    acetonitrile 1.46
    DMF 47.36
    toluene 0.46
    isobutanol 0.4
    1,4-dioxane 6.98
    methyl acetate 2.39
    THF 12.84
    2-butanone 2.16
    n-pentanol 0.37
    sec-butanol 0.39
    n-hexane 0.02
    ethylene glycol 4.46
    NMP 36.34
    cyclohexane 0.04
    DMSO 44.53
    n-butyl acetate 0.63
    n-octanol 0.48
    chloroform 2.41
    n-propyl acetate 0.78
    acetic acid 20.1
    dichloromethane 2.41
    cyclohexanone 2.37
    propylene glycol 3.69
    isopropyl acetate 0.84
    DMAc 35.86
    2-ethoxyethanol 5.74
    isopentanol 0.23
    n-heptane 0.04
    ethyl formate 1.66
    1,2-dichloroethane 1.28
    n-hexanol 0.29
    2-methoxyethanol 14.04
    isobutyl acetate 0.39
    tetrachloromethane 0.32
    n-pentyl acetate 1.14
    transcutol 10.74
    n-heptanol 0.53
    ethylbenzene 0.16
    MIBK 0.67
    2-propoxyethanol 5.69
    tert-butanol 0.51
    MTBE 0.44
    2-butoxyethanol 3.9
    propionic acid 2.55
    o-xylene 0.33
    formic acid 27.14
    diethyl ether 0.7
    m-xylene 0.31
    p-xylene 0.23
    chlorobenzene 0.44
    dimethyl carbonate 5.62
    n-octane 0.03
    formamide 20.85
    cyclopentanone 7.29
    2-pentanone 1.24
    anisole 0.9
    cyclopentyl methyl ether 1.64
    gamma-butyrolactone 11.57
    1-methoxy-2-propanol 7.45
    pyridine 4.07
    3-pentanone 1.29
    furfural 12.15
    n-dodecane 0.02
    diethylene glycol 9.27
    diisopropyl ether 0.14
    tert-amyl alcohol 0.37
    acetylacetone 5.1
    n-hexadecane 0.02
    acetophenone 1.54
    methyl propionate 2.96
    isopentyl acetate 0.48
    trichloroethylene 4.11
    n-nonanol 0.5
    cyclohexanol 0.35
    benzyl alcohol 1.13
    2-ethylhexanol 0.16
    isooctanol 0.33
    dipropyl ether 0.56
    1,2-dichlorobenzene 0.5
    ethyl lactate 1.64
    propylene carbonate 3.22
    n-methylformamide 16.71
    2-pentanol 0.2
    n-pentane 0.03
    1-propoxy-2-propanol 2.98
    1-methoxy-2-propyl acetate 2.91
    2-(2-methoxypropoxy) propanol 3.38
    mesitylene 0.17
    ε-caprolactone 2.51
    p-cymene 0.14
    epichlorohydrin 8.4
    1,1,1-trichloroethane 0.65
    2-aminoethanol 4.21
    morpholine-4-carbaldehyde 30.8
    sulfolane 27.49
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.73
    n-hexyl acetate 1.11
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.53
    sec-butyl acetate 0.4
    tert-butyl acetate 0.98
    decalin 0.02
    glycerin 11.6
    diglyme 9.8
    acrylic acid 6.31
    isopropyl myristate 0.28
    n-butyric acid 1.55
    acetyl acetate 2.09
    di(2-ethylhexyl) phthalate 0.63
    ethyl propionate 0.78
    nitromethane 31.63
    1,2-diethoxyethane 1.69
    benzonitrile 0.77
    trioctyl phosphate 0.41
    1-bromopropane 0.28
    gamma-valerolactone 19.94
    n-decanol 0.29
    triethyl phosphate 0.49
    4-methyl-2-pentanol 0.14
    propionitrile 0.73
    vinylene carbonate 3.97
    1,1,2-trichlorotrifluoroethane 18.53
    DMS 2.09
    cumene 0.11
    2-octanol 0.28
    2-hexanone 0.74
    octyl acetate 0.57
    limonene 0.18
    1,2-dimethoxyethane 6.98
    ethyl orthosilicate 0.42
    tributyl phosphate 0.33
    diacetone alcohol 2.64
    N,N-dimethylaniline 0.89
    acrylonitrile 2.16
    aniline 0.81
    1,3-propanediol 2.8
    bromobenzene 0.38
    dibromomethane 0.92
    1,1,2,2-tetrachloroethane 2.94
    2-methyl-cyclohexyl acetate 0.57
    tetrabutyl urea 0.79
    diisobutyl methanol 0.12
    2-phenylethanol 0.98
    styrene 0.21
    dioctyl adipate 0.74
    dimethyl sulfate 13.45
    ethyl butyrate 0.63
    methyl lactate 6.38
    butyl lactate 1.66
    diethyl carbonate 0.45
    propanediol butyl ether 4.67
    triethyl orthoformate 0.79
    p-tert-butyltoluene 0.16
    methyl 4-tert-butylbenzoate 2.61
    morpholine 6.99
    tert-butylamine 0.14
    n-dodecanol 0.17
    dimethoxymethane 18.24
    ethylene carbonate 2.15
    cyrene 7.8
    2-ethoxyethyl acetate 3.27
    2-ethylhexyl acetate 0.35
    1,2,4-trichlorobenzene 0.87
    4-methylpyridine 1.74
    dibutyl ether 0.28
    2,6-dimethyl-4-heptanol 0.12
    DEF 3.2
    dimethyl isosorbide 6.47
    tetrachloroethylene 2.32
    eugenol 2.7
    triacetin 3.38
    span 80 3.12
    1,4-butanediol 1.42
    1,1-dichloroethane 0.65
    2-methyl-1-pentanol 0.21
    methyl formate 15.62
    2-methyl-1-butanol 0.25
    n-decane 0.04
    butyronitrile 0.37
    3,7-dimethyl-1-octanol 0.24
    1-chlorooctane 0.15
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.83
    tetrahydropyran 1.42
    tert-amyl methyl ether 0.41
    2,5,8-trioxanonane 6.3
    1-hexene 0.08
    2-isopropoxyethanol 2.4
    2,2,2-trifluoroethanol 7.6
    methyl butyrate 0.97

    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