1-O-[(24S)-1alpha,3beta,24-Trihydroxy-24-(hydroxymethyl)-28-oxo-9beta-9,19-cyclolanostan-28-yl]-beta-D-glucopyranose

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  • Identifiers

    CAS number
    292167-39-6

    Molecular formula
    C37H62O11

    SMILES
    C[C@H](CC[C@@](CO)(C(C)C)O)[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

    Safety labels

  • Odor profile

    Fragrance
    Woody 53.33%
    Odorless 50.78%
    Amber 34.27%
    Sandalwood 32.5%
    Cooling 31.86%
    Balsamic 29.7%
    Dry 28.36%
    Mint 28.02%
    Sweet 25.64%
    Cedar 24.7%

     

    Flavor
    Bitter 52.88%
    Odorless 34.2%
    Bland 26.31%
    Sweet-like 26.01%
    Sweet 25.84%
    Fatty 23.33%
    Cedarleaf 22.3%
    Mild 22.1%
    Sandalwood 21.38%
    Patchouli 21.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    5.29 (weak acid)

    Molecular weight
    682.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    472°C

    Flash point

    • 243.09 ˚C est.

  • Synonyms

    • DTXSID601115729
    • 1-O-[(24S)-1alpha,3beta,24-Trihydroxy-24-(hydroxymethyl)-28-oxo-9beta-9,19-cyclolanostan-28-yl]-beta-D-glucopyranose
    • 292167-39-6
    • I(2)-D-Glucopyranosyl (1I+/-,3I(2),4I+/-,24S)-1,3,24-trihydroxy-24-(hydroxymethyl)-9,19-cyclolanostan-28-oate
    • 292167-39-6

  • Applications

    1-O-[(24S)-1alpha,3beta,24-Trihydroxy-24-(hydroxymethyl)-28-oxo-9beta-9,19-cyclolanostan-28-yl]-beta-D-glucopyranose is a glycosylated steroid derivative typically used as a building block or intermediate in the synthesis of steroidal glycosides for pharmaceutical development; its glycosidic linkage and highly hydroxylated aglycone enable potential use as a surface-active agent, providing surfactant or emulsifying properties in cosmetic/personal care formulations and in household cleaners; it may act as a wetting agent or stabilizer in coatings and inks and as a compatibility additive in some polymer formulations; and it can be pursued as an intermediate for semi-synthetic routes to steroidal drugs. CAS 292167-39-6.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.42
    methanol 19.22
    isopropanol 1.02
    water 0.06
    ethyl acetate 1.49
    n-propanol 1.65
    acetone 4.01
    n-butanol 0.79
    acetonitrile 1.02
    DMF 20.79
    toluene 0.25
    isobutanol 0.63
    1,4-dioxane 7.54
    methyl acetate 2.07
    THF 13.7
    2-butanone 2.43
    n-pentanol 0.57
    sec-butanol 0.55
    n-hexane 0.02
    ethylene glycol 4.38
    NMP 20.28
    cyclohexane 0.03
    DMSO 33.69
    n-butyl acetate 0.74
    n-octanol 0.53
    chloroform 2.51
    n-propyl acetate 0.76
    acetic acid 19.61
    dichloromethane 2.16
    cyclohexanone 3.15
    propylene glycol 3.52
    isopropyl acetate 1.01
    DMAc 20.14
    2-ethoxyethanol 7.52
    isopentanol 0.47
    n-heptane 0.02
    ethyl formate 1.83
    1,2-dichloroethane 1.15
    n-hexanol 0.55
    2-methoxyethanol 18.9
    isobutyl acetate 0.45
    tetrachloromethane 0.38
    n-pentyl acetate 1.37
    transcutol 11.76
    n-heptanol 0.75
    ethylbenzene 0.13
    MIBK 0.93
    2-propoxyethanol 8.26
    tert-butanol 0.72
    MTBE 0.57
    2-butoxyethanol 5.63
    propionic acid 2.87
    o-xylene 0.2
    formic acid 19.71
    diethyl ether 0.92
    m-xylene 0.19
    p-xylene 0.15
    chlorobenzene 0.36
    dimethyl carbonate 3.34
    n-octane 0.02
    formamide 15.42
    cyclopentanone 7.26
    2-pentanone 1.56
    anisole 0.81
    cyclopentyl methyl ether 1.64
    gamma-butyrolactone 10.36
    1-methoxy-2-propanol 9.07
    pyridine 3.13
    3-pentanone 1.24
    furfural 8.97
    n-dodecane 0.01
    diethylene glycol 10.62
    diisopropyl ether 0.18
    tert-amyl alcohol 0.53
    acetylacetone 4.26
    n-hexadecane 0.01
    acetophenone 1.14
    methyl propionate 2.29
    isopentyl acetate 0.69
    trichloroethylene 3.43
    n-nonanol 0.57
    cyclohexanol 0.46
    benzyl alcohol 1.11
    2-ethylhexanol 0.24
    isooctanol 0.47
    dipropyl ether 0.56
    1,2-dichlorobenzene 0.4
    ethyl lactate 1.42
    propylene carbonate 3.12
    n-methylformamide 11.05
    2-pentanol 0.33
    n-pentane 0.02
    1-propoxy-2-propanol 3.34
    1-methoxy-2-propyl acetate 3.35
    2-(2-methoxypropoxy) propanol 3.32
    mesitylene 0.1
    ε-caprolactone 3.5
    p-cymene 0.12
    epichlorohydrin 8.98
    1,1,1-trichloroethane 0.63
    2-aminoethanol 5.73
    morpholine-4-carbaldehyde 23.57
    sulfolane 19.2
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.21
    n-hexyl acetate 1.39
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.39
    sec-butyl acetate 0.46
    tert-butyl acetate 1.17
    decalin 0.02
    glycerin 11.74
    diglyme 11.4
    acrylic acid 5.47
    isopropyl myristate 0.3
    n-butyric acid 2.62
    acetyl acetate 1.9
    di(2-ethylhexyl) phthalate 0.67
    ethyl propionate 0.8
    nitromethane 20.85
    1,2-diethoxyethane 1.93
    benzonitrile 0.6
    trioctyl phosphate 0.47
    1-bromopropane 0.3
    gamma-valerolactone 23.4
    n-decanol 0.3
    triethyl phosphate 0.56
    4-methyl-2-pentanol 0.23
    propionitrile 0.67
    vinylene carbonate 3.55
    1,1,2-trichlorotrifluoroethane 16.95
    DMS 1.92
    cumene 0.1
    2-octanol 0.33
    2-hexanone 0.84
    octyl acetate 0.6
    limonene 0.16
    1,2-dimethoxyethane 7.58
    ethyl orthosilicate 0.5
    tributyl phosphate 0.4
    diacetone alcohol 2.98
    N,N-dimethylaniline 0.62
    acrylonitrile 1.5
    aniline 0.7
    1,3-propanediol 5.56
    bromobenzene 0.28
    dibromomethane 0.93
    1,1,2,2-tetrachloroethane 2.47
    2-methyl-cyclohexyl acetate 0.67
    tetrabutyl urea 0.65
    diisobutyl methanol 0.15
    2-phenylethanol 1.21
    styrene 0.15
    dioctyl adipate 0.69
    dimethyl sulfate 7.88
    ethyl butyrate 0.67
    methyl lactate 5.11
    butyl lactate 1.88
    diethyl carbonate 0.5
    propanediol butyl ether 4.76
    triethyl orthoformate 0.77
    p-tert-butyltoluene 0.12
    methyl 4-tert-butylbenzoate 2.46
    morpholine 8.54
    tert-butylamine 0.2
    n-dodecanol 0.16
    dimethoxymethane 12.97
    ethylene carbonate 2.42
    cyrene 5.87
    2-ethoxyethyl acetate 4.28
    2-ethylhexyl acetate 0.46
    1,2,4-trichlorobenzene 0.66
    4-methylpyridine 1.51
    dibutyl ether 0.29
    2,6-dimethyl-4-heptanol 0.15
    DEF 2.84
    dimethyl isosorbide 5.84
    tetrachloroethylene 2.01
    eugenol 2.71
    triacetin 3.3
    span 80 3.09
    1,4-butanediol 1.74
    1,1-dichloroethane 0.63
    2-methyl-1-pentanol 0.36
    methyl formate 8.47
    2-methyl-1-butanol 0.46
    n-decane 0.02
    butyronitrile 0.5
    3,7-dimethyl-1-octanol 0.31
    1-chlorooctane 0.13
    1-chlorotetradecane 0.04
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.98
    tetrahydropyran 1.76
    tert-amyl methyl ether 0.48
    2,5,8-trioxanonane 6.34
    1-hexene 0.08
    2-isopropoxyethanol 2.96
    2,2,2-trifluoroethanol 7.66
    methyl butyrate 1.01

    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