Furost-20(22)-en-6-one, 3-[(6-O-I+/--D-arabinopyranosyl-I(2)-D-glucopyranosyl)oxy]-26-(I(2)-D-glucopyranosyloxy)-23-(hydroxymethyl)-, (3I(2),5I+/-,25R)-

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  • Identifiers

    CAS number
    170739-22-7

    Molecular formula
    C45H72O19

    SMILES
    CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@H]([C@@H]3C2)CC(=O)[C@@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@@H]7[C@H]([C@@H]([C@@H](CO7)O)O)O)O)O)O)C)C)C(C[C@@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)CO

    Safety labels

  • Odor profile

    Fragrance
    Odorless 60.6%
    Woody 29.72%
    Sweet 29.06%
    Cooling 27.55%
    Spicy 23.42%
    Mint 23.2%
    Warm 18.91%
    Milky 18.09%
    Savory 16.97%
    Amber 16.7%

     

    Flavor
    Bitter 56.7%
    Fatty 36.2%
    Odorless 32.67%
    Sweet-like 28.6%
    Sweet 26.19%
    Bland 25.61%
    Cedarleaf 21.29%
    Metallic 21.26%
    Cauliflower 20.73%
    Mentholic 20.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.1

    pKa est.
    5.26 (weak acid)

    Molecular weight
    917.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    3612°C

    Flash point

    • 265.79 ˚C est.

  • Synonyms

    • DTXSID101101557
    • 170739-22-7
    • Furost-20(22)-en-6-one, 3-[(6-O-I+/--D-arabinopyranosyl-I(2)-D-glucopyranosyl)oxy]-26-(I(2)-D-glucopyranosyloxy)-23-(hydroxymethyl)-, (3I(2),5I+/-,25R)-
    • 170739-22-7

  • Applications

    Furost-20(22)-en-6-one, 3-[(6-O-I+/--D-arabinopyranosyl-I(2)-D-glucopyranosyl)oxy]-26-(I(2)-D-glucopyranosyloxy)-23-(hydroxymethyl)-, (3I(2),5I+/-,25R)- (CAS 170739-22-7) is a steroidal glycoside with sugar moieties that impart amphiphilic properties, enabling use as a surfactant or emulsifier in cosmetics, personal care, and cleaning products; it can be pursued as an intermediate in steroid glycoside pharmaceutical synthesis and may serve as a reference material for analytical work on related compounds; in agriculture, it may be evaluated as an additive or emulsifier in agrochemical formulations such as pesticides or fertilizers; in coatings, inks, and polymer processing, it may act as an emulsifier or stabilizer to improve dispersion and formulation stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.64
    methanol 7.18
    isopropanol 0.14
    water 0.17
    ethyl acetate 0.35
    n-propanol 0.32
    acetone 1.17
    n-butanol 0.17
    acetonitrile 0.43
    DMF 9.92
    toluene 0.14
    isobutanol 0.12
    1,4-dioxane 2.28
    methyl acetate 0.47
    THF 3.33
    2-butanone 0.58
    n-pentanol 0.16
    sec-butanol 0.09
    n-hexane 0.0
    ethylene glycol 1.87
    NMP 11.57
    cyclohexane 0.01
    DMSO 16.16
    n-butyl acetate 0.22
    n-octanol 0.28
    chloroform 0.63
    n-propyl acetate 0.23
    acetic acid 7.28
    dichloromethane 0.7
    cyclohexanone 1.17
    propylene glycol 0.89
    isopropyl acetate 0.25
    DMAc 8.37
    2-ethoxyethanol 2.61
    isopentanol 0.1
    n-heptane 0.01
    ethyl formate 0.7
    1,2-dichloroethane 0.35
    n-hexanol 0.14
    2-methoxyethanol 5.78
    isobutyl acetate 0.15
    tetrachloromethane 0.09
    n-pentyl acetate 0.64
    transcutol 6.16
    n-heptanol 0.34
    ethylbenzene 0.06
    MIBK 0.29
    2-propoxyethanol 2.46
    tert-butanol 0.09
    MTBE 0.08
    2-butoxyethanol 2.72
    propionic acid 0.71
    o-xylene 0.09
    formic acid 18.59
    diethyl ether 0.17
    m-xylene 0.1
    p-xylene 0.07
    chlorobenzene 0.18
    dimethyl carbonate 1.46
    n-octane 0.01
    formamide 11.54
    cyclopentanone 2.41
    2-pentanone 0.47
    anisole 0.31
    cyclopentyl methyl ether 0.52
    gamma-butyrolactone 3.41
    1-methoxy-2-propanol 2.24
    pyridine 1.44
    3-pentanone 0.37
    furfural 7.1
    n-dodecane 0.01
    diethylene glycol 4.26
    diisopropyl ether 0.04
    tert-amyl alcohol 0.07
    acetylacetone 1.79
    n-hexadecane 0.01
    acetophenone 0.6
    methyl propionate 0.63
    isopentyl acetate 0.2
    trichloroethylene 1.12
    n-nonanol 0.31
    cyclohexanol 0.13
    benzyl alcohol 0.56
    2-ethylhexanol 0.08
    isooctanol 0.2
    dipropyl ether 0.17
    1,2-dichlorobenzene 0.2
    ethyl lactate 0.6
    propylene carbonate 1.14
    n-methylformamide 4.97
    2-pentanol 0.06
    n-pentane 0.01
    1-propoxy-2-propanol 1.11
    1-methoxy-2-propyl acetate 1.03
    2-(2-methoxypropoxy) propanol 1.73
    mesitylene 0.06
    ε-caprolactone 1.19
    p-cymene 0.07
    epichlorohydrin 3.03
    1,1,1-trichloroethane 0.13
    2-aminoethanol 1.71
    morpholine-4-carbaldehyde 13.87
    sulfolane 10.6
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.47
    n-hexyl acetate 0.64
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.99
    sec-butyl acetate 0.12
    tert-butyl acetate 0.26
    decalin 0.01
    glycerin 4.52
    diglyme 6.13
    acrylic acid 2.06
    isopropyl myristate 0.15
    n-butyric acid 0.64
    acetyl acetate 0.69
    di(2-ethylhexyl) phthalate 0.43
    ethyl propionate 0.22
    nitromethane 10.21
    1,2-diethoxyethane 0.74
    benzonitrile 0.42
    trioctyl phosphate 0.26
    1-bromopropane 0.07
    gamma-valerolactone 10.76
    n-decanol 0.17
    triethyl phosphate 0.19
    4-methyl-2-pentanol 0.05
    propionitrile 0.21
    vinylene carbonate 1.8
    1,1,2-trichlorotrifluoroethane 7.4
    DMS 0.71
    cumene 0.04
    2-octanol 0.14
    2-hexanone 0.29
    octyl acetate 0.32
    limonene 0.07
    1,2-dimethoxyethane 2.65
    ethyl orthosilicate 0.17
    tributyl phosphate 0.19
    diacetone alcohol 0.87
    N,N-dimethylaniline 0.28
    acrylonitrile 0.65
    aniline 0.3
    1,3-propanediol 1.3
    bromobenzene 0.15
    dibromomethane 0.26
    1,1,2,2-tetrachloroethane 0.69
    2-methyl-cyclohexyl acetate 0.25
    tetrabutyl urea 0.41
    diisobutyl methanol 0.05
    2-phenylethanol 0.53
    styrene 0.08
    dioctyl adipate 0.42
    dimethyl sulfate 3.72
    ethyl butyrate 0.21
    methyl lactate 1.93
    butyl lactate 0.99
    diethyl carbonate 0.14
    propanediol butyl ether 2.99
    triethyl orthoformate 0.26
    p-tert-butyltoluene 0.06
    methyl 4-tert-butylbenzoate 1.34
    morpholine 2.2
    tert-butylamine 0.03
    n-dodecanol 0.09
    dimethoxymethane 4.57
    ethylene carbonate 0.94
    cyrene 3.94
    2-ethoxyethyl acetate 1.86
    2-ethylhexyl acetate 0.15
    1,2,4-trichlorobenzene 0.3
    4-methylpyridine 0.68
    dibutyl ether 0.13
    2,6-dimethyl-4-heptanol 0.05
    DEF 1.11
    dimethyl isosorbide 3.42
    tetrachloroethylene 0.68
    eugenol 1.82
    triacetin 1.57
    span 80 1.75
    1,4-butanediol 0.71
    1,1-dichloroethane 0.14
    2-methyl-1-pentanol 0.1
    methyl formate 4.76
    2-methyl-1-butanol 0.1
    n-decane 0.02
    butyronitrile 0.16
    3,7-dimethyl-1-octanol 0.13
    1-chlorooctane 0.07
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 0.24
    tetrahydropyran 0.43
    tert-amyl methyl ether 0.08
    2,5,8-trioxanonane 3.9
    1-hexene 0.02
    2-isopropoxyethanol 1.07
    2,2,2-trifluoroethanol 3.08
    methyl butyrate 0.32

    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