I(2)-D-Glucopyranoside, (3I(2),16I(2),20R)-16,20-dihydroxypregn-5-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a6)]-

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  • Identifiers

    CAS number
    172046-43-4

    Molecular formula
    C39H64O16

    SMILES
    CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3CCC4(C5CCC6(C(C5CC=C4C3)CC(C6C(C)O)O)C)C)OC7C(C(C(C(O7)C)O)O)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 60.39%
    Sweet 36.38%
    Woody 29.33%
    Vanilla 22.32%
    Spicy 21.68%
    Cooling 21.68%
    Milky 20.01%
    Mint 19.91%
    Creamy 18.24%
    Balsamic 18.03%

     

    Flavor
    Bitter 43.86%
    Sweet 43.64%
    Fatty 38.64%
    Odorless 36.67%
    Sweet-like 28.65%
    Metallic 22.46%
    Cauliflower 21.69%
    Mentholic 21.52%
    Alkaline 21.39%
    Bland 21.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    3.79 (weak acid)

    Molecular weight
    788.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    2556°C

    Melting point expt.

    • 231 - 233 °C

    Flash point

    • 234.43 ˚C est.

  • Synonyms

    • DTXSID001101504
    • 172046-43-4
    • I(2)-D-Glucopyranoside, (3I(2),16I(2),20R)-16,20-dihydroxypregn-5-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a6)]-
    • 172046-43-4

  • Applications

    CAS 172046-43-4, I(2)-D-Glucopyranoside, (3I(2),16I(2),20R)-16,20-dihydroxypregn-5-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a6)]-, is primarily used as a chemical intermediate in the synthesis of glycosylated steroid derivatives and may serve as a building block for pharmaceutical steroid glycosides. In formulation contexts, it may function as a glycoside surfactant or emulsifier that aids solubility and stabilization in cosmetics and personal care products as well as in household cleaners. It is also of interest as a research reagent for structure-activity studies of steroid glycosides and as a potential precursor in agrochemical research. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.02
    methanol 14.03
    isopropanol 0.22
    water 0.1
    ethyl acetate 0.59
    n-propanol 0.67
    acetone 0.96
    n-butanol 0.36
    acetonitrile 0.34
    DMF 10.63
    toluene 0.18
    isobutanol 0.23
    1,4-dioxane 3.54
    methyl acetate 0.74
    THF 4.59
    2-butanone 0.78
    n-pentanol 0.24
    sec-butanol 0.19
    n-hexane 0.01
    ethylene glycol 2.53
    NMP 15.23
    cyclohexane 0.02
    DMSO 16.96
    n-butyl acetate 0.33
    n-octanol 0.38
    chloroform 1.12
    n-propyl acetate 0.3
    acetic acid 9.18
    dichloromethane 1.23
    cyclohexanone 1.44
    propylene glycol 1.79
    isopropyl acetate 0.34
    DMAc 10.08
    2-ethoxyethanol 3.85
    isopentanol 0.19
    n-heptane 0.02
    ethyl formate 0.99
    1,2-dichloroethane 0.54
    n-hexanol 0.24
    2-methoxyethanol 10.37
    isobutyl acetate 0.16
    tetrachloromethane 0.15
    n-pentyl acetate 0.84
    transcutol 8.92
    n-heptanol 0.49
    ethylbenzene 0.07
    MIBK 0.32
    2-propoxyethanol 4.19
    tert-butanol 0.14
    MTBE 0.14
    2-butoxyethanol 3.82
    propionic acid 1.41
    o-xylene 0.13
    formic acid 23.67
    diethyl ether 0.31
    m-xylene 0.13
    p-xylene 0.07
    chlorobenzene 0.2
    dimethyl carbonate 1.75
    n-octane 0.01
    formamide 13.37
    cyclopentanone 2.92
    2-pentanone 0.58
    anisole 0.38
    cyclopentyl methyl ether 0.82
    gamma-butyrolactone 4.65
    1-methoxy-2-propanol 3.78
    pyridine 1.73
    3-pentanone 0.49
    furfural 8.26
    n-dodecane 0.01
    diethylene glycol 6.09
    diisopropyl ether 0.06
    tert-amyl alcohol 0.16
    acetylacetone 1.8
    n-hexadecane 0.01
    acetophenone 0.63
    methyl propionate 1.05
    isopentyl acetate 0.3
    trichloroethylene 1.68
    n-nonanol 0.41
    cyclohexanol 0.25
    benzyl alcohol 0.68
    2-ethylhexanol 0.13
    isooctanol 0.29
    dipropyl ether 0.26
    1,2-dichlorobenzene 0.24
    ethyl lactate 0.78
    propylene carbonate 1.69
    n-methylformamide 6.84
    2-pentanol 0.12
    n-pentane 0.01
    1-propoxy-2-propanol 1.86
    1-methoxy-2-propyl acetate 1.59
    2-(2-methoxypropoxy) propanol 2.52
    mesitylene 0.07
    ε-caprolactone 1.89
    p-cymene 0.09
    epichlorohydrin 4.36
    1,1,1-trichloroethane 0.2
    2-aminoethanol 2.97
    morpholine-4-carbaldehyde 18.28
    sulfolane 12.75
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.83
    n-hexyl acetate 0.87
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 4.02
    sec-butyl acetate 0.16
    tert-butyl acetate 0.38
    decalin 0.01
    glycerin 8.41
    diglyme 8.69
    acrylic acid 3.3
    isopropyl myristate 0.18
    n-butyric acid 1.27
    acetyl acetate 0.83
    di(2-ethylhexyl) phthalate 0.51
    ethyl propionate 0.31
    nitromethane 10.5
    1,2-diethoxyethane 0.95
    benzonitrile 0.38
    trioctyl phosphate 0.33
    1-bromopropane 0.14
    gamma-valerolactone 13.79
    n-decanol 0.21
    triethyl phosphate 0.28
    4-methyl-2-pentanol 0.09
    propionitrile 0.25
    vinylene carbonate 2.39
    1,1,2-trichlorotrifluoroethane 12.04
    DMS 0.97
    cumene 0.05
    2-octanol 0.21
    2-hexanone 0.31
    octyl acetate 0.39
    limonene 0.11
    1,2-dimethoxyethane 3.57
    ethyl orthosilicate 0.27
    tributyl phosphate 0.25
    diacetone alcohol 1.16
    N,N-dimethylaniline 0.32
    acrylonitrile 0.68
    aniline 0.41
    1,3-propanediol 2.55
    bromobenzene 0.16
    dibromomethane 0.46
    1,1,2,2-tetrachloroethane 1.1
    2-methyl-cyclohexyl acetate 0.33
    tetrabutyl urea 0.45
    diisobutyl methanol 0.08
    2-phenylethanol 0.66
    styrene 0.08
    dioctyl adipate 0.49
    dimethyl sulfate 5.07
    ethyl butyrate 0.31
    methyl lactate 3.07
    butyl lactate 1.37
    diethyl carbonate 0.21
    propanediol butyl ether 3.85
    triethyl orthoformate 0.39
    p-tert-butyltoluene 0.08
    methyl 4-tert-butylbenzoate 1.72
    morpholine 3.79
    tert-butylamine 0.04
    n-dodecanol 0.12
    dimethoxymethane 6.28
    ethylene carbonate 1.34
    cyrene 4.93
    2-ethoxyethyl acetate 2.6
    2-ethylhexyl acetate 0.23
    1,2,4-trichlorobenzene 0.41
    4-methylpyridine 0.78
    dibutyl ether 0.17
    2,6-dimethyl-4-heptanol 0.08
    DEF 1.59
    dimethyl isosorbide 4.37
    tetrachloroethylene 1.07
    eugenol 1.98
    triacetin 2.24
    span 80 2.47
    1,4-butanediol 0.88
    1,1-dichloroethane 0.21
    2-methyl-1-pentanol 0.16
    methyl formate 5.72
    2-methyl-1-butanol 0.21
    n-decane 0.02
    butyronitrile 0.2
    3,7-dimethyl-1-octanol 0.18
    1-chlorooctane 0.09
    1-chlorotetradecane 0.03
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.41
    tetrahydropyran 0.71
    tert-amyl methyl ether 0.18
    2,5,8-trioxanonane 5.31
    1-hexene 0.03
    2-isopropoxyethanol 1.43
    2,2,2-trifluoroethanol 3.98
    methyl butyrate 0.44

    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