(25S)-5beta-spirostan-3beta-yl beta-D-glucopyranosyl-(1->3)-[beta-D-xylopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside

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  • Identifiers

    CAS number
    60267-26-7

    Molecular formula
    C50H82O22

    SMILES
    C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)C)C)C)OC1

    Safety labels

  • Odor profile

    Fragrance
    Odorless 61.6%
    Sweet 32.62%
    Woody 26.79%
    Cooling 24.75%
    Mint 21.14%
    Spicy 20.79%
    Vanilla 18.22%
    Warm 18.17%
    Balsamic 16.94%
    Clean 16.87%

     

    Flavor
    Sweet 47.4%
    Bitter 42.08%
    Fatty 39.89%
    Odorless 34.92%
    Sweet-like 28.71%
    Metallic 22.52%
    Cauliflower 22.18%
    Alkaline 21.35%
    Mentholic 20.96%
    Bland 20.7%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -0.9

    pKa est.
    2.58 (strong acid)

    Molecular weight
    1035.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    2839°C

    Flash point

    • 189.77 ˚C est.

  • Synonyms

    • asparagoside F
    • CHEBI:134508
    • DTXSID701102646
    • (25S)-5beta-spirostan-3beta-yl beta-D-glucopyranosyl-(1->3)-[beta-D-xylopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside
    • 60267-26-7
    • I(2)-D-Glucopyranoside, (3I(2),5I(2),25S)-spirostan-3-yl O-I(2)-D-glucopyranosyl-(1a3)-O-[O-I(2)-D-xylopyranosyl-(1a4)-I(2)-D-glucopyranosyl-(1a4)]-
    • sarsasapogenin 3-O-{beta-D-glucopyranosyl-(1->3)-[beta-D-xylopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside}
    • 60267-26-7

  • Applications

    For the compound (25S)-5beta-spirostan-3beta-yl beta-D-glucopyranosyl-(1->3)-[beta-D-xylopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranoside (CAS number: 60267-26-7), applications span several industries where its steroidal glycoside structure can act as a natural surfactant and emulsifier; in cosmetics and personal care it may function as a surfactant and emulsifier in cleansers and creams; in household cleaning products it can serve as a surfactant/foaming agent; in coatings/inks and adhesives formulations it can improve wetting and dispersion properties; in pharmaceutical development it may be used as an intermediate in the synthesis of steroidal glycosides or as an excipient under formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.15
    methanol 11.23
    isopropanol 0.29
    water 0.42
    ethyl acetate 0.9
    n-propanol 0.51
    acetone 2.42
    n-butanol 0.25
    acetonitrile 0.97
    DMF 21.63
    toluene 0.23
    isobutanol 0.2
    1,4-dioxane 4.13
    methyl acetate 1.15
    THF 6.37
    2-butanone 1.07
    n-pentanol 0.27
    sec-butanol 0.17
    n-hexane 0.01
    ethylene glycol 3.51
    NMP 24.92
    cyclohexane 0.02
    DMSO 39.52
    n-butyl acetate 0.57
    n-octanol 0.53
    chloroform 1.35
    n-propyl acetate 0.63
    acetic acid 17.98
    dichloromethane 1.57
    cyclohexanone 1.98
    propylene glycol 1.8
    isopropyl acetate 0.63
    DMAc 18.1
    2-ethoxyethanol 5.18
    isopentanol 0.16
    n-heptane 0.02
    ethyl formate 1.43
    1,2-dichloroethane 0.73
    n-hexanol 0.25
    2-methoxyethanol 10.3
    isobutyl acetate 0.36
    tetrachloromethane 0.21
    n-pentyl acetate 1.39
    transcutol 11.87
    n-heptanol 0.61
    ethylbenzene 0.1
    MIBK 0.53
    2-propoxyethanol 4.72
    tert-butanol 0.2
    MTBE 0.17
    2-butoxyethanol 4.76
    propionic acid 1.6
    o-xylene 0.18
    formic acid 37.86
    diethyl ether 0.34
    m-xylene 0.19
    p-xylene 0.14
    chlorobenzene 0.34
    dimethyl carbonate 3.72
    n-octane 0.02
    formamide 25.03
    cyclopentanone 4.81
    2-pentanone 0.85
    anisole 0.63
    cyclopentyl methyl ether 1.06
    gamma-butyrolactone 7.98
    1-methoxy-2-propanol 4.63
    pyridine 2.51
    3-pentanone 0.68
    furfural 13.89
    n-dodecane 0.01
    diethylene glycol 8.13
    diisopropyl ether 0.08
    tert-amyl alcohol 0.17
    acetylacetone 4.17
    n-hexadecane 0.02
    acetophenone 1.37
    methyl propionate 1.54
    isopentyl acetate 0.48
    trichloroethylene 2.57
    n-nonanol 0.56
    cyclohexanol 0.22
    benzyl alcohol 1.0
    2-ethylhexanol 0.16
    isooctanol 0.37
    dipropyl ether 0.4
    1,2-dichlorobenzene 0.42
    ethyl lactate 1.5
    propylene carbonate 2.99
    n-methylformamide 10.32
    2-pentanol 0.12
    n-pentane 0.01
    1-propoxy-2-propanol 2.4
    1-methoxy-2-propyl acetate 2.59
    2-(2-methoxypropoxy) propanol 3.46
    mesitylene 0.11
    ε-caprolactone 2.4
    p-cymene 0.14
    epichlorohydrin 6.09
    1,1,1-trichloroethane 0.37
    2-aminoethanol 3.08
    morpholine-4-carbaldehyde 25.89
    sulfolane 24.08
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.98
    n-hexyl acetate 1.33
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 5.66
    sec-butyl acetate 0.33
    tert-butyl acetate 0.71
    decalin 0.01
    glycerin 9.24
    diglyme 11.21
    acrylic acid 4.69
    isopropyl myristate 0.33
    n-butyric acid 1.35
    acetyl acetate 1.92
    di(2-ethylhexyl) phthalate 0.89
    ethyl propionate 0.57
    nitromethane 27.89
    1,2-diethoxyethane 1.55
    benzonitrile 0.84
    trioctyl phosphate 0.57
    1-bromopropane 0.15
    gamma-valerolactone 19.3
    n-decanol 0.32
    triethyl phosphate 0.54
    4-methyl-2-pentanol 0.09
    propionitrile 0.38
    vinylene carbonate 4.27
    1,1,2-trichlorotrifluoroethane 16.89
    DMS 1.67
    cumene 0.08
    2-octanol 0.28
    2-hexanone 0.56
    octyl acetate 0.71
    limonene 0.16
    1,2-dimethoxyethane 5.12
    ethyl orthosilicate 0.45
    tributyl phosphate 0.44
    diacetone alcohol 1.97
    N,N-dimethylaniline 0.56
    acrylonitrile 1.26
    aniline 0.56
    1,3-propanediol 2.22
    bromobenzene 0.29
    dibromomethane 0.55
    1,1,2,2-tetrachloroethane 1.57
    2-methyl-cyclohexyl acetate 0.62
    tetrabutyl urea 0.87
    diisobutyl methanol 0.1
    2-phenylethanol 0.98
    styrene 0.14
    dioctyl adipate 0.97
    dimethyl sulfate 10.88
    ethyl butyrate 0.56
    methyl lactate 4.6
    butyl lactate 2.17
    diethyl carbonate 0.42
    propanediol butyl ether 5.3
    triethyl orthoformate 0.69
    p-tert-butyltoluene 0.13
    methyl 4-tert-butylbenzoate 2.96
    morpholine 3.89
    tert-butylamine 0.06
    n-dodecanol 0.19
    dimethoxymethane 9.13
    ethylene carbonate 2.29
    cyrene 7.84
    2-ethoxyethyl acetate 4.23
    2-ethylhexyl acetate 0.39
    1,2,4-trichlorobenzene 0.69
    4-methylpyridine 1.26
    dibutyl ether 0.27
    2,6-dimethyl-4-heptanol 0.1
    DEF 2.22
    dimethyl isosorbide 7.31
    tetrachloroethylene 1.44
    eugenol 3.47
    triacetin 4.28
    span 80 3.71
    1,4-butanediol 1.21
    1,1-dichloroethane 0.35
    2-methyl-1-pentanol 0.15
    methyl formate 10.35
    2-methyl-1-butanol 0.15
    n-decane 0.03
    butyronitrile 0.28
    3,7-dimethyl-1-octanol 0.25
    1-chlorooctane 0.15
    1-chlorotetradecane 0.05
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 0.45
    tetrahydropyran 0.76
    tert-amyl methyl ether 0.19
    2,5,8-trioxanonane 7.32
    1-hexene 0.03
    2-isopropoxyethanol 2.09
    2,2,2-trifluoroethanol 9.15
    methyl butyrate 0.76

    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