I(2)-D-Glucopyranosyl (1I+/-,3I(2),4I+/-,22R,24S)-1,3,22,24-tetrahydroxy-24-(hydroxymethyl)-9,19-cyclolanostan-28-oate

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  • Identifiers

    CAS number
    292167-38-5

    Molecular formula
    C37H62O12

    SMILES
    C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)[C@H](C[C@@H]([C@@]5(C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)C)C)[C@@H](C[C@@](CO)(C(C)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.68%
    Woody 46.75%
    Cooling 33.92%
    Amber 30.52%
    Mint 29.27%
    Sandalwood 29.05%
    Sweet 28.75%
    Balsamic 28.35%
    Dry 25.61%
    Musk 22.36%

     

    Flavor
    Bitter 55.25%
    Odorless 37.43%
    Sweet 28.69%
    Sweet-like 27.09%
    Bland 26.13%
    Fatty 23.79%
    Cedarleaf 21.73%
    Mild 21.12%
    Sandalwood 21.02%
    Patchouli 20.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    5.08 (weak acid)

    Molecular weight
    698.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    734°C

    Flash point

    • 246.95 ˚C est.

  • Synonyms

    • DTXSID301110118
    • 292167-38-5
    • I(2)-D-Glucopyranosyl (1I+/-,3I(2),4I+/-,22R,24S)-1,3,22,24-tetrahydroxy-24-(hydroxymethyl)-9,19-cyclolanostan-28-oate
    • 292167-38-5

  • Applications

    Chemical name: I(2)-D-Glucopyranosyl (1I+/-,3I(2),4I+/-,22R,24S)-1,3,22,24-tetrahydroxy-24-(hydroxymethyl)-9,19-cyclolanostan-28-oate; CAS 292167-38-5; this glycosylated triterpenoid ester is typically evaluated as a natural-product–derived intermediate and building block in pharmaceutical and agrochemical research; it may function as a surfactant/emulsifier or foaming agent in cosmetics, personal-care, and household cleaning formulations; it can serve as a stabilizer or functional additive in polymer and coating systems; and provides a scaffold for semi-synthetic saponins in chemical synthesis and natural-product–based drug-discovery research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.62
    methanol 19.58
    isopropanol 1.15
    water 0.07
    ethyl acetate 1.54
    n-propanol 1.77
    acetone 4.72
    n-butanol 0.84
    acetonitrile 1.13
    DMF 21.75
    toluene 0.22
    isobutanol 0.66
    1,4-dioxane 7.9
    methyl acetate 2.14
    THF 15.08
    2-butanone 2.66
    n-pentanol 0.59
    sec-butanol 0.57
    n-hexane 0.02
    ethylene glycol 4.79
    NMP 19.41
    cyclohexane 0.03
    DMSO 40.45
    n-butyl acetate 0.76
    n-octanol 0.5
    chloroform 2.27
    n-propyl acetate 0.78
    acetic acid 19.68
    dichloromethane 1.99
    cyclohexanone 3.43
    propylene glycol 3.67
    isopropyl acetate 0.99
    DMAc 20.46
    2-ethoxyethanol 7.82
    isopentanol 0.49
    n-heptane 0.02
    ethyl formate 1.95
    1,2-dichloroethane 1.15
    n-hexanol 0.56
    2-methoxyethanol 19.22
    isobutyl acetate 0.42
    tetrachloromethane 0.37
    n-pentyl acetate 1.25
    transcutol 10.47
    n-heptanol 0.74
    ethylbenzene 0.12
    MIBK 0.95
    2-propoxyethanol 8.34
    tert-butanol 0.79
    MTBE 0.58
    2-butoxyethanol 5.51
    propionic acid 2.82
    o-xylene 0.17
    formic acid 19.6
    diethyl ether 0.93
    m-xylene 0.16
    p-xylene 0.15
    chlorobenzene 0.31
    dimethyl carbonate 3.15
    n-octane 0.02
    formamide 15.68
    cyclopentanone 7.84
    2-pentanone 1.64
    anisole 0.73
    cyclopentyl methyl ether 1.51
    gamma-butyrolactone 10.28
    1-methoxy-2-propanol 8.93
    pyridine 3.03
    3-pentanone 1.3
    furfural 8.6
    n-dodecane 0.01
    diethylene glycol 10.94
    diisopropyl ether 0.17
    tert-amyl alcohol 0.54
    acetylacetone 4.55
    n-hexadecane 0.01
    acetophenone 1.08
    methyl propionate 2.24
    isopentyl acetate 0.67
    trichloroethylene 3.09
    n-nonanol 0.54
    cyclohexanol 0.46
    benzyl alcohol 1.1
    2-ethylhexanol 0.23
    isooctanol 0.44
    dipropyl ether 0.54
    1,2-dichlorobenzene 0.34
    ethyl lactate 1.39
    propylene carbonate 2.95
    n-methylformamide 11.25
    2-pentanol 0.33
    n-pentane 0.02
    1-propoxy-2-propanol 3.3
    1-methoxy-2-propyl acetate 3.1
    2-(2-methoxypropoxy) propanol 3.13
    mesitylene 0.09
    ε-caprolactone 3.5
    p-cymene 0.11
    epichlorohydrin 9.03
    1,1,1-trichloroethane 0.59
    2-aminoethanol 5.97
    morpholine-4-carbaldehyde 23.16
    sulfolane 19.73
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.29
    n-hexyl acetate 1.25
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.13
    sec-butyl acetate 0.44
    tert-butyl acetate 1.1
    decalin 0.02
    glycerin 11.62
    diglyme 10.81
    acrylic acid 5.25
    isopropyl myristate 0.28
    n-butyric acid 2.56
    acetyl acetate 1.73
    di(2-ethylhexyl) phthalate 0.61
    ethyl propionate 0.78
    nitromethane 20.64
    1,2-diethoxyethane 1.9
    benzonitrile 0.6
    trioctyl phosphate 0.43
    1-bromopropane 0.3
    gamma-valerolactone 24.12
    n-decanol 0.29
    triethyl phosphate 0.52
    4-methyl-2-pentanol 0.23
    propionitrile 0.73
    vinylene carbonate 3.26
    1,1,2-trichlorotrifluoroethane 16.17
    DMS 1.68
    cumene 0.09
    2-octanol 0.32
    2-hexanone 0.9
    octyl acetate 0.56
    limonene 0.16
    1,2-dimethoxyethane 8.01
    ethyl orthosilicate 0.46
    tributyl phosphate 0.37
    diacetone alcohol 2.95
    N,N-dimethylaniline 0.56
    acrylonitrile 1.58
    aniline 0.64
    1,3-propanediol 5.89
    bromobenzene 0.24
    dibromomethane 0.85
    1,1,2,2-tetrachloroethane 2.32
    2-methyl-cyclohexyl acetate 0.62
    tetrabutyl urea 0.63
    diisobutyl methanol 0.14
    2-phenylethanol 1.19
    styrene 0.13
    dioctyl adipate 0.64
    dimethyl sulfate 7.4
    ethyl butyrate 0.66
    methyl lactate 4.84
    butyl lactate 1.7
    diethyl carbonate 0.49
    propanediol butyl ether 4.5
    triethyl orthoformate 0.71
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 2.15
    morpholine 8.69
    tert-butylamine 0.2
    n-dodecanol 0.16
    dimethoxymethane 12.5
    ethylene carbonate 2.29
    cyrene 5.69
    2-ethoxyethyl acetate 3.87
    2-ethylhexyl acetate 0.45
    1,2,4-trichlorobenzene 0.54
    4-methylpyridine 1.4
    dibutyl ether 0.28
    2,6-dimethyl-4-heptanol 0.14
    DEF 2.89
    dimethyl isosorbide 5.63
    tetrachloroethylene 1.91
    eugenol 2.46
    triacetin 2.79
    span 80 2.86
    1,4-butanediol 1.92
    1,1-dichloroethane 0.62
    2-methyl-1-pentanol 0.37
    methyl formate 8.84
    2-methyl-1-butanol 0.47
    n-decane 0.02
    butyronitrile 0.54
    3,7-dimethyl-1-octanol 0.29
    1-chlorooctane 0.12
    1-chlorotetradecane 0.03
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 1.05
    tetrahydropyran 1.84
    tert-amyl methyl ether 0.47
    2,5,8-trioxanonane 6.14
    1-hexene 0.07
    2-isopropoxyethanol 3.05
    2,2,2-trifluoroethanol 7.3
    methyl butyrate 1.02

    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