(3I(2),5I+/-,6I(2),25S)-26-(I(2)-D-Glucopyranosyloxy)-6,22-dihydroxyfurostan-3-yl O-I(2)-D-glucopyranosyl-(1a2)-O-[I(2)-D-glucopyranosyl-(1a3)]-O-I(2)-D-glucopyranosyl-(1a4)-I(2)-D-galactopyranoside

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  • Identifiers

    CAS number
    186545-34-6

    Molecular formula
    C57H96O30

    SMILES
    C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@H]([C@@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)C)O)C)OC1(CC[C@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 68.71%
    Sweet 37.33%
    Cooling 25.51%
    Woody 21.51%
    Alcoholic 19.97%
    Mint 19.94%
    Milky 18.19%
    Vanilla 17.45%
    Bitter 17.04%
    Savory 16.29%

     

    Flavor
    Sweet 55.73%
    Bitter 44.49%
    Odorless 43.66%
    Fatty 35.98%
    Sweet-like 31.01%
    Bland 22.1%
    Cauliflower 22.05%
    Very slight 21.16%
    Alkaline 20.96%
    Mentholic 20.87%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -4.4

    pKa est.
    3.94 (weak acid)

    Molecular weight
    1261.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3806°C

    Flash point

    • 198.58 ˚C est.

  • Synonyms

    • DTXSID801099014
    • (3I(2),5I+/-,6I(2),25S)-26-(I(2)-D-Glucopyranosyloxy)-6,22-dihydroxyfurostan-3-yl O-I(2)-D-glucopyranosyl-(1a2)-O-[I(2)-D-glucopyranosyl-(1a3)]-O-I(2)-D-glucopyranosyl-(1a4)-I(2)-D-galactopyranoside
    • 186545-34-6
    • 186545-34-6

  • Applications

    The compound (3I(2),5I+/-,6I(2),25S)-26-(I(2)-D-Glucopyranosyloxy)-6,22-dihydroxyfurostan-3-yl O-I(2)-D-glucopyranosyl-(1a2)-O-[I(2)-D-glucopyranosyl-(1a3)]-O-I(2)-D-glucopyranosyl-(1a4)-I(2)-D-galactopyranoside (CAS 186545-34-6) is a glycosylated steroidal saponin with several practical applications; it can function as a surfactant/emulsifier and foaming agent in household cleaners, cosmetics, and personal care products; it may serve as an inert pharmaceutical excipient or solubility enhancer in formulations; it is commonly evaluated as an intermediate in the synthesis of glycosylated steroidal derivatives for research and development; it may act as a fragrance-release precursor or reservoir in perfumery and fragrance applications; it can be used as an agricultural adjuvant to improve the wetting, spreading, and efficacy of crop protection products; and it provides a glycoside building block for polymer and materials research. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.29
    methanol 10.84
    isopropanol 0.34
    water 0.77
    ethyl acetate 1.02
    n-propanol 0.57
    acetone 2.39
    n-butanol 0.28
    acetonitrile 1.02
    DMF 24.9
    toluene 0.26
    isobutanol 0.2
    1,4-dioxane 4.49
    methyl acetate 1.25
    THF 6.25
    2-butanone 1.14
    n-pentanol 0.28
    sec-butanol 0.19
    n-hexane 0.01
    ethylene glycol 4.06
    NMP 24.94
    cyclohexane 0.03
    DMSO 45.09
    n-butyl acetate 0.54
    n-octanol 0.48
    chloroform 1.11
    n-propyl acetate 0.61
    acetic acid 14.6
    dichloromethane 1.36
    cyclohexanone 1.91
    propylene glycol 1.79
    isopropyl acetate 0.64
    DMAc 19.81
    2-ethoxyethanol 5.02
    isopentanol 0.16
    n-heptane 0.04
    ethyl formate 1.49
    1,2-dichloroethane 0.73
    n-hexanol 0.24
    2-methoxyethanol 10.82
    isobutyl acetate 0.3
    tetrachloromethane 0.19
    n-pentyl acetate 1.19
    transcutol 10.13
    n-heptanol 0.56
    ethylbenzene 0.11
    MIBK 0.49
    2-propoxyethanol 4.39
    tert-butanol 0.2
    MTBE 0.18
    2-butoxyethanol 4.09
    propionic acid 1.57
    o-xylene 0.2
    formic acid 38.14
    diethyl ether 0.42
    m-xylene 0.2
    p-xylene 0.15
    chlorobenzene 0.29
    dimethyl carbonate 4.13
    n-octane 0.03
    formamide 27.06
    cyclopentanone 4.38
    2-pentanone 0.89
    anisole 0.55
    cyclopentyl methyl ether 1.14
    gamma-butyrolactone 7.63
    1-methoxy-2-propanol 4.71
    pyridine 2.46
    3-pentanone 0.77
    furfural 11.73
    n-dodecane 0.02
    diethylene glycol 8.13
    diisopropyl ether 0.09
    tert-amyl alcohol 0.17
    acetylacetone 3.86
    n-hexadecane 0.02
    acetophenone 1.16
    methyl propionate 1.75
    isopentyl acetate 0.39
    trichloroethylene 2.04
    n-nonanol 0.51
    cyclohexanol 0.26
    benzyl alcohol 0.82
    2-ethylhexanol 0.14
    isooctanol 0.33
    dipropyl ether 0.45
    1,2-dichlorobenzene 0.33
    ethyl lactate 1.38
    propylene carbonate 2.55
    n-methylformamide 10.74
    2-pentanol 0.13
    n-pentane 0.02
    1-propoxy-2-propanol 2.22
    1-methoxy-2-propyl acetate 2.3
    2-(2-methoxypropoxy) propanol 2.71
    mesitylene 0.12
    ε-caprolactone 2.22
    p-cymene 0.14
    epichlorohydrin 5.32
    1,1,1-trichloroethane 0.3
    2-aminoethanol 3.11
    morpholine-4-carbaldehyde 26.22
    sulfolane 22.09
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.02
    n-hexyl acetate 1.05
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.58
    sec-butyl acetate 0.3
    tert-butyl acetate 0.64
    decalin 0.02
    glycerin 8.89
    diglyme 9.69
    acrylic acid 4.46
    isopropyl myristate 0.28
    n-butyric acid 1.32
    acetyl acetate 1.81
    di(2-ethylhexyl) phthalate 0.64
    ethyl propionate 0.61
    nitromethane 24.42
    1,2-diethoxyethane 1.57
    benzonitrile 0.69
    trioctyl phosphate 0.44
    1-bromopropane 0.16
    gamma-valerolactone 17.16
    n-decanol 0.3
    triethyl phosphate 0.49
    4-methyl-2-pentanol 0.09
    propionitrile 0.42
    vinylene carbonate 3.62
    1,1,2-trichlorotrifluoroethane 13.86
    DMS 1.6
    cumene 0.08
    2-octanol 0.28
    2-hexanone 0.53
    octyl acetate 0.57
    limonene 0.16
    1,2-dimethoxyethane 5.19
    ethyl orthosilicate 0.41
    tributyl phosphate 0.34
    diacetone alcohol 1.73
    N,N-dimethylaniline 0.54
    acrylonitrile 1.31
    aniline 0.56
    1,3-propanediol 2.4
    bromobenzene 0.25
    dibromomethane 0.53
    1,1,2,2-tetrachloroethane 1.36
    2-methyl-cyclohexyl acetate 0.47
    tetrabutyl urea 0.77
    diisobutyl methanol 0.1
    2-phenylethanol 0.78
    styrene 0.14
    dioctyl adipate 0.73
    dimethyl sulfate 11.29
    ethyl butyrate 0.55
    methyl lactate 4.6
    butyl lactate 1.73
    diethyl carbonate 0.4
    propanediol butyl ether 4.42
    triethyl orthoformate 0.67
    p-tert-butyltoluene 0.13
    methyl 4-tert-butylbenzoate 2.34
    morpholine 4.29
    tert-butylamine 0.06
    n-dodecanol 0.18
    dimethoxymethane 10.38
    ethylene carbonate 2.0
    cyrene 6.26
    2-ethoxyethyl acetate 3.49
    2-ethylhexyl acetate 0.33
    1,2,4-trichlorobenzene 0.51
    4-methylpyridine 1.18
    dibutyl ether 0.29
    2,6-dimethyl-4-heptanol 0.1
    DEF 2.54
    dimethyl isosorbide 5.88
    tetrachloroethylene 1.28
    eugenol 2.7
    triacetin 3.3
    span 80 2.82
    1,4-butanediol 1.18
    1,1-dichloroethane 0.32
    2-methyl-1-pentanol 0.14
    methyl formate 10.6
    2-methyl-1-butanol 0.16
    n-decane 0.04
    butyronitrile 0.3
    3,7-dimethyl-1-octanol 0.22
    1-chlorooctane 0.15
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.5
    tetrahydropyran 0.85
    tert-amyl methyl ether 0.22
    2,5,8-trioxanonane 6.35
    1-hexene 0.04
    2-isopropoxyethanol 1.99
    2,2,2-trifluoroethanol 8.41
    methyl butyrate 0.77

    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