(3beta,5alpha,25R)-3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-26-(beta-D-glucopyranosyloxy)furost-20(22)-en-6-one

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  • Identifiers

    CAS number
    172519-52-7

    Molecular formula
    C44H70O18

    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)CC[C@@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 58.0%
    Woody 31.29%
    Sweet 29.17%
    Cooling 25.91%
    Spicy 25.79%
    Mint 22.78%
    Warm 19.45%
    Milky 18.39%
    Vanilla 17.39%
    Amber 16.77%

     

    Flavor
    Bitter 53.74%
    Fatty 37.95%
    Odorless 30.21%
    Sweet-like 27.85%
    Sweet 26.47%
    Bland 24.52%
    Metallic 22.33%
    Cedarleaf 21.71%
    Cauliflower 21.12%
    Mentholic 20.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.2

    pKa est.
    5.46 (weak acid)

    Molecular weight
    887.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3101°C

    Flash point

    • 256.62 ˚C est.

  • Synonyms

    • 172519-52-7
    • (3beta,5alpha,25R)-3-((6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy)-26-(beta-D-glucopyranosyloxy)furost-20(22)-en-6-one
    • (3beta,5alpha,25R)-3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-26-(beta-D-glucopyranosyloxy)furost-20(22)-en-6-one
    • RefChem:207941
    • Chinenoside III
    • DTXSID801107368
    • (3I(2),5I+/-,25R)-3-[(6-O-I+/--L-Arabinopyranosyl-I(2)-D-glucopyranosyl)oxy]-26-(I(2)-D-glucopyranosyloxy)furost-20(22)-en-6-one
    • 26-O-beta-glucopyranosyl 3beta,26-dihydroxy-(25R)-5alpha-furost-20(22)-en-6-one 3-O-alpha-arabinopyranosyl(1->6)-beta-glucopyranoside
    • 172519-52-7

  • Applications

    (3beta,5alpha,25R)-3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-26-(beta-D-glucopyranosyloxy)furost-20(22)-en-6-one, CAS 172519-52-7, is a steroidal furostanol glycoside that may function as a natural surfactant or emulsifier in cosmetics and some household cleaning formulations; may serve as an intermediate or scaffold in the synthesis of other steroidal glycosides for pharmaceutical development; may act as an adjuvant or surfactant component in agricultural formulations; and is used as a reference material in phytochemical research and analytical characterization. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.6
    methanol 6.75
    isopropanol 0.15
    water 0.12
    ethyl acetate 0.4
    n-propanol 0.33
    acetone 1.24
    n-butanol 0.17
    acetonitrile 0.45
    DMF 10.41
    toluene 0.16
    isobutanol 0.13
    1,4-dioxane 2.7
    methyl acetate 0.54
    THF 4.04
    2-butanone 0.65
    n-pentanol 0.18
    sec-butanol 0.1
    n-hexane 0.0
    ethylene glycol 1.67
    NMP 11.8
    cyclohexane 0.01
    DMSO 16.64
    n-butyl acetate 0.25
    n-octanol 0.33
    chloroform 0.77
    n-propyl acetate 0.27
    acetic acid 7.6
    dichloromethane 0.83
    cyclohexanone 1.32
    propylene glycol 0.86
    isopropyl acetate 0.29
    DMAc 9.39
    2-ethoxyethanol 2.82
    isopentanol 0.11
    n-heptane 0.01
    ethyl formate 0.73
    1,2-dichloroethane 0.38
    n-hexanol 0.15
    2-methoxyethanol 6.15
    isobutyl acetate 0.18
    tetrachloromethane 0.1
    n-pentyl acetate 0.78
    transcutol 7.87
    n-heptanol 0.39
    ethylbenzene 0.07
    MIBK 0.34
    2-propoxyethanol 2.75
    tert-butanol 0.1
    MTBE 0.09
    2-butoxyethanol 3.14
    propionic acid 0.75
    o-xylene 0.11
    formic acid 17.18
    diethyl ether 0.19
    m-xylene 0.12
    p-xylene 0.09
    chlorobenzene 0.21
    dimethyl carbonate 1.63
    n-octane 0.01
    formamide 10.78
    cyclopentanone 2.7
    2-pentanone 0.52
    anisole 0.38
    cyclopentyl methyl ether 0.59
    gamma-butyrolactone 3.81
    1-methoxy-2-propanol 2.43
    pyridine 1.62
    3-pentanone 0.41
    furfural 7.95
    n-dodecane 0.01
    diethylene glycol 4.45
    diisopropyl ether 0.04
    tert-amyl alcohol 0.09
    acetylacetone 2.12
    n-hexadecane 0.01
    acetophenone 0.72
    methyl propionate 0.72
    isopentyl acetate 0.24
    trichloroethylene 1.33
    n-nonanol 0.37
    cyclohexanol 0.14
    benzyl alcohol 0.64
    2-ethylhexanol 0.09
    isooctanol 0.24
    dipropyl ether 0.2
    1,2-dichlorobenzene 0.24
    ethyl lactate 0.68
    propylene carbonate 1.3
    n-methylformamide 5.06
    2-pentanol 0.07
    n-pentane 0.01
    1-propoxy-2-propanol 1.3
    1-methoxy-2-propyl acetate 1.21
    2-(2-methoxypropoxy) propanol 2.15
    mesitylene 0.07
    ε-caprolactone 1.35
    p-cymene 0.08
    epichlorohydrin 3.49
    1,1,1-trichloroethane 0.16
    2-aminoethanol 1.6
    morpholine-4-carbaldehyde 15.08
    sulfolane 11.65
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.55
    n-hexyl acetate 0.81
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.66
    sec-butyl acetate 0.15
    tert-butyl acetate 0.32
    decalin 0.01
    glycerin 4.51
    diglyme 7.58
    acrylic acid 2.15
    isopropyl myristate 0.19
    n-butyric acid 0.69
    acetyl acetate 0.79
    di(2-ethylhexyl) phthalate 0.53
    ethyl propionate 0.26
    nitromethane 11.34
    1,2-diethoxyethane 0.9
    benzonitrile 0.48
    trioctyl phosphate 0.32
    1-bromopropane 0.08
    gamma-valerolactone 12.66
    n-decanol 0.2
    triethyl phosphate 0.23
    4-methyl-2-pentanol 0.05
    propionitrile 0.23
    vinylene carbonate 2.04
    1,1,2-trichlorotrifluoroethane 8.57
    DMS 0.86
    cumene 0.05
    2-octanol 0.17
    2-hexanone 0.32
    octyl acetate 0.4
    limonene 0.08
    1,2-dimethoxyethane 3.09
    ethyl orthosilicate 0.2
    tributyl phosphate 0.24
    diacetone alcohol 1.01
    N,N-dimethylaniline 0.33
    acrylonitrile 0.7
    aniline 0.34
    1,3-propanediol 1.33
    bromobenzene 0.17
    dibromomethane 0.3
    1,1,2,2-tetrachloroethane 0.82
    2-methyl-cyclohexyl acetate 0.3
    tetrabutyl urea 0.49
    diisobutyl methanol 0.06
    2-phenylethanol 0.6
    styrene 0.09
    dioctyl adipate 0.54
    dimethyl sulfate 4.21
    ethyl butyrate 0.25
    methyl lactate 2.11
    butyl lactate 1.18
    diethyl carbonate 0.17
    propanediol butyl ether 3.43
    triethyl orthoformate 0.33
    p-tert-butyltoluene 0.07
    methyl 4-tert-butylbenzoate 1.65
    morpholine 2.46
    tert-butylamine 0.03
    n-dodecanol 0.11
    dimethoxymethane 5.11
    ethylene carbonate 1.06
    cyrene 4.45
    2-ethoxyethyl acetate 2.28
    2-ethylhexyl acetate 0.18
    1,2,4-trichlorobenzene 0.37
    4-methylpyridine 0.78
    dibutyl ether 0.16
    2,6-dimethyl-4-heptanol 0.06
    DEF 1.25
    dimethyl isosorbide 4.17
    tetrachloroethylene 0.78
    eugenol 2.16
    triacetin 2.0
    span 80 2.17
    1,4-butanediol 0.7
    1,1-dichloroethane 0.16
    2-methyl-1-pentanol 0.11
    methyl formate 4.89
    2-methyl-1-butanol 0.1
    n-decane 0.02
    butyronitrile 0.17
    3,7-dimethyl-1-octanol 0.16
    1-chlorooctane 0.08
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 0.26
    tetrahydropyran 0.5
    tert-amyl methyl ether 0.1
    2,5,8-trioxanonane 4.84
    1-hexene 0.02
    2-isopropoxyethanol 1.2
    2,2,2-trifluoroethanol 3.27
    methyl butyrate 0.37

    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