3-((Hexopyranosyl-(1->3)-(hexopyranosyl-(1->4))hexopyranosyl)oxy)-22-hydroxyfurostan-27-yl hexopyranoside

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  • Identifiers

    CAS number
    60267-27-8

    Molecular formula
    C51H86O24

    SMILES
    CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 64.29%
    Sweet 36.21%
    Cooling 26.89%
    Woody 23.79%
    Mint 22.19%
    Alcoholic 18.63%
    Milky 17.89%
    Spicy 17.37%
    Warm 17.35%
    Balsamic 16.9%

     

    Flavor
    Sweet 51.99%
    Bitter 42.77%
    Odorless 41.15%
    Fatty 36.76%
    Sweet-like 30.1%
    Bland 22.02%
    Cauliflower 21.98%
    Mentholic 21.1%
    Metallic 21.07%
    Very slight 21.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.4

    pKa est.
    4.34 (weak acid)

    Molecular weight
    1083.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3542°C

    Melting point expt.

    • 170 - 174 °C

    Flash point

    • 234.62 ˚C est.

  • Synonyms

    • DTXSID10975679
    • 3-((Hexopyranosyl-(1->3)-(hexopyranosyl-(1->4))hexopyranosyl)oxy)-22-hydroxyfurostan-27-yl hexopyranoside
    • 3-{[Hexopyranosyl-(1->3)-[hexopyranosyl-(1->4)]hexopyranosyl]oxy}-22-hydroxyfurostan-27-yl hexopyranoside
    • RefChem:1066337
    • DTXCID801403075
    • Asparagoside G
    • 60267-27-8
    • beta-D-Glucopyranoside, (3-beta,5-beta,22-alpha,25S)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurostan-3-yl O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-glucopyranosyl-(1-4))-
    • 60267-27-8

  • Applications

    3-((Hexopyranosyl-(1->3)-(hexopyranosyl-(1->4))hexopyranosyl)oxy)-22-hydroxyfurostan-27-yl hexopyranoside (CAS 60267-27-8) is a furostanol glycoside (saponin). Because the molecule contains multiple sugar units, it is often evaluated as a natural surface-active compound and can be used as a surfactant, foam booster, emulsifier and stabilizer in cosmetics and personal care formulations as well as household cleaning products; it is also investigated as an intermediate in the synthesis of other steroidal glycosides for pharmaceutical and agricultural research; it may serve as an excipient or formulation aid in pharmaceutical development under applicable regulatory regimes; and it holds potential as an agricultural spray adjuvant/surfactant to improve deposition and coverage.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.08
    methanol 10.51
    isopropanol 0.28
    water 0.57
    ethyl acetate 0.95
    n-propanol 0.5
    acetone 2.32
    n-butanol 0.25
    acetonitrile 0.91
    DMF 21.92
    toluene 0.25
    isobutanol 0.19
    1,4-dioxane 4.17
    methyl acetate 1.12
    THF 6.34
    2-butanone 1.06
    n-pentanol 0.25
    sec-butanol 0.16
    n-hexane 0.01
    ethylene glycol 3.45
    NMP 23.79
    cyclohexane 0.03
    DMSO 40.12
    n-butyl acetate 0.51
    n-octanol 0.46
    chloroform 1.26
    n-propyl acetate 0.59
    acetic acid 15.04
    dichloromethane 1.47
    cyclohexanone 1.88
    propylene glycol 1.59
    isopropyl acetate 0.63
    DMAc 18.05
    2-ethoxyethanol 4.59
    isopentanol 0.15
    n-heptane 0.03
    ethyl formate 1.37
    1,2-dichloroethane 0.73
    n-hexanol 0.22
    2-methoxyethanol 9.6
    isobutyl acetate 0.3
    tetrachloromethane 0.21
    n-pentyl acetate 1.18
    transcutol 9.81
    n-heptanol 0.54
    ethylbenzene 0.11
    MIBK 0.5
    2-propoxyethanol 4.19
    tert-butanol 0.18
    MTBE 0.17
    2-butoxyethanol 3.99
    propionic acid 1.47
    o-xylene 0.19
    formic acid 36.19
    diethyl ether 0.37
    m-xylene 0.2
    p-xylene 0.14
    chlorobenzene 0.31
    dimethyl carbonate 3.83
    n-octane 0.02
    formamide 24.24
    cyclopentanone 4.48
    2-pentanone 0.86
    anisole 0.55
    cyclopentyl methyl ether 1.14
    gamma-butyrolactone 7.8
    1-methoxy-2-propanol 4.28
    pyridine 2.4
    3-pentanone 0.72
    furfural 12.06
    n-dodecane 0.02
    diethylene glycol 7.48
    diisopropyl ether 0.09
    tert-amyl alcohol 0.16
    acetylacetone 3.9
    n-hexadecane 0.02
    acetophenone 1.19
    methyl propionate 1.6
    isopentyl acetate 0.4
    trichloroethylene 2.29
    n-nonanol 0.49
    cyclohexanol 0.23
    benzyl alcohol 0.82
    2-ethylhexanol 0.14
    isooctanol 0.32
    dipropyl ether 0.4
    1,2-dichlorobenzene 0.38
    ethyl lactate 1.32
    propylene carbonate 2.76
    n-methylformamide 9.6
    2-pentanol 0.12
    n-pentane 0.01
    1-propoxy-2-propanol 2.12
    1-methoxy-2-propyl acetate 2.27
    2-(2-methoxypropoxy) propanol 2.75
    mesitylene 0.12
    ε-caprolactone 2.21
    p-cymene 0.13
    epichlorohydrin 5.56
    1,1,1-trichloroethane 0.33
    2-aminoethanol 2.78
    morpholine-4-carbaldehyde 24.43
    sulfolane 23.06
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.96
    n-hexyl acetate 1.07
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.58
    sec-butyl acetate 0.3
    tert-butyl acetate 0.66
    decalin 0.01
    glycerin 8.16
    diglyme 9.44
    acrylic acid 4.24
    isopropyl myristate 0.28
    n-butyric acid 1.27
    acetyl acetate 1.85
    di(2-ethylhexyl) phthalate 0.68
    ethyl propionate 0.59
    nitromethane 24.21
    1,2-diethoxyethane 1.42
    benzonitrile 0.71
    trioctyl phosphate 0.46
    1-bromopropane 0.16
    gamma-valerolactone 17.33
    n-decanol 0.28
    triethyl phosphate 0.49
    4-methyl-2-pentanol 0.09
    propionitrile 0.38
    vinylene carbonate 3.85
    1,1,2-trichlorotrifluoroethane 14.47
    DMS 1.53
    cumene 0.08
    2-octanol 0.26
    2-hexanone 0.52
    octyl acetate 0.58
    limonene 0.15
    1,2-dimethoxyethane 4.75
    ethyl orthosilicate 0.41
    tributyl phosphate 0.35
    diacetone alcohol 1.75
    N,N-dimethylaniline 0.54
    acrylonitrile 1.2
    aniline 0.54
    1,3-propanediol 2.07
    bromobenzene 0.27
    dibromomethane 0.56
    1,1,2,2-tetrachloroethane 1.5
    2-methyl-cyclohexyl acetate 0.51
    tetrabutyl urea 0.74
    diisobutyl methanol 0.09
    2-phenylethanol 0.8
    styrene 0.13
    dioctyl adipate 0.76
    dimethyl sulfate 10.75
    ethyl butyrate 0.53
    methyl lactate 4.32
    butyl lactate 1.74
    diethyl carbonate 0.39
    propanediol butyl ether 4.28
    triethyl orthoformate 0.65
    p-tert-butyltoluene 0.13
    methyl 4-tert-butylbenzoate 2.44
    morpholine 3.86
    tert-butylamine 0.06
    n-dodecanol 0.17
    dimethoxymethane 9.36
    ethylene carbonate 2.08
    cyrene 6.49
    2-ethoxyethyl acetate 3.5
    2-ethylhexyl acetate 0.33
    1,2,4-trichlorobenzene 0.59
    4-methylpyridine 1.16
    dibutyl ether 0.26
    2,6-dimethyl-4-heptanol 0.09
    DEF 2.29
    dimethyl isosorbide 6.19
    tetrachloroethylene 1.4
    eugenol 2.8
    triacetin 3.37
    span 80 2.88
    1,4-butanediol 1.07
    1,1-dichloroethane 0.33
    2-methyl-1-pentanol 0.14
    methyl formate 9.65
    2-methyl-1-butanol 0.14
    n-decane 0.03
    butyronitrile 0.27
    3,7-dimethyl-1-octanol 0.21
    1-chlorooctane 0.14
    1-chlorotetradecane 0.04
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.47
    tetrahydropyran 0.79
    tert-amyl methyl ether 0.2
    2,5,8-trioxanonane 6.18
    1-hexene 0.04
    2-isopropoxyethanol 1.85
    2,2,2-trifluoroethanol 8.51
    methyl butyrate 0.74

    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