Asparagoside H

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  • Identifiers

    CAS number
    60267-28-9

    Molecular formula
    C56H94O28

    SMILES
    CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)OC8C(C(C(CO8)O)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O

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  • Odor profile

    Fragrance
    Odorless 65.63%
    Sweet 37.13%
    Cooling 25.71%
    Woody 23.74%
    Mint 20.35%
    Alcoholic 19.35%
    Milky 17.65%
    Vanilla 17.15%
    Warm 17.09%
    Spicy 16.82%

     

    Flavor
    Sweet 52.99%
    Bitter 43.47%
    Odorless 41.61%
    Fatty 36.67%
    Sweet-like 30.39%
    Bland 22.36%
    Cauliflower 21.9%
    Alkaline 20.95%
    Very slight 20.93%
    Mentholic 20.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.5

    pKa est.
    4.04 (weak acid)

    Molecular weight
    1215.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3730°C

    Melting point expt.

    • 146 - 150 °C

    Flash point

    • 209.11 ˚C est.

  • Synonyms

    • Asparagoside H
    • 60267-28-9
    • DTXSID201099228
    • 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-(O-beta-D-xylopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-4))-
    • (3I(2),5I(2),22I+/-,25S)-26-(I(2)-D-Glucopyranosyloxy)-22-hydroxyfurostan-3-yl O-I(2)-D-glucopyranosyl-(1a3)-O-[O-I(2)-D-xylopyranosyl-(1a4)-I(2)-D-glucopyranosyl-(1a4)]-I(2)-D-glucopyranoside
    • 60267-28-9

  • Applications

    Asparagoside H, CAS 60267-28-9, is primarily used as an intermediate in glycoside synthesis and as an analytical reference material to support LC–MS and NMR methods and structure elucidation in natural products and synthetic chemistry research. In plant metabolite studies, it often serves as a reference compound for identification and chemotaxonomic work. It is also evaluated in biological activity screening to explore potential activities of glycosides, and may function as a precursor or intermediate in the downstream synthesis of related glycoside derivatives, depending on research goals and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.06
    methanol 11.04
    isopropanol 0.26
    water 0.68
    ethyl acetate 0.82
    n-propanol 0.47
    acetone 1.96
    n-butanol 0.23
    acetonitrile 0.84
    DMF 23.22
    toluene 0.22
    isobutanol 0.17
    1,4-dioxane 3.85
    methyl acetate 1.0
    THF 5.53
    2-butanone 0.93
    n-pentanol 0.23
    sec-butanol 0.15
    n-hexane 0.01
    ethylene glycol 3.83
    NMP 24.12
    cyclohexane 0.02
    DMSO 37.44
    n-butyl acetate 0.46
    n-octanol 0.44
    chloroform 1.05
    n-propyl acetate 0.51
    acetic acid 14.33
    dichloromethane 1.23
    cyclohexanone 1.67
    propylene glycol 1.79
    isopropyl acetate 0.54
    DMAc 18.13
    2-ethoxyethanol 4.53
    isopentanol 0.14
    n-heptane 0.03
    ethyl formate 1.26
    1,2-dichloroethane 0.6
    n-hexanol 0.21
    2-methoxyethanol 10.06
    isobutyl acetate 0.27
    tetrachloromethane 0.17
    n-pentyl acetate 1.1
    transcutol 10.23
    n-heptanol 0.51
    ethylbenzene 0.1
    MIBK 0.43
    2-propoxyethanol 4.11
    tert-butanol 0.17
    MTBE 0.15
    2-butoxyethanol 4.0
    propionic acid 1.37
    o-xylene 0.18
    formic acid 40.48
    diethyl ether 0.32
    m-xylene 0.18
    p-xylene 0.12
    chlorobenzene 0.26
    dimethyl carbonate 3.78
    n-octane 0.02
    formamide 26.01
    cyclopentanone 3.94
    2-pentanone 0.75
    anisole 0.53
    cyclopentyl methyl ether 1.01
    gamma-butyrolactone 7.03
    1-methoxy-2-propanol 4.48
    pyridine 2.18
    3-pentanone 0.64
    furfural 11.73
    n-dodecane 0.01
    diethylene glycol 7.77
    diisopropyl ether 0.08
    tert-amyl alcohol 0.15
    acetylacetone 3.47
    n-hexadecane 0.02
    acetophenone 1.13
    methyl propionate 1.48
    isopentyl acetate 0.35
    trichloroethylene 1.97
    n-nonanol 0.46
    cyclohexanol 0.22
    benzyl alcohol 0.79
    2-ethylhexanol 0.13
    isooctanol 0.3
    dipropyl ether 0.37
    1,2-dichlorobenzene 0.33
    ethyl lactate 1.33
    propylene carbonate 2.49
    n-methylformamide 9.98
    2-pentanol 0.11
    n-pentane 0.01
    1-propoxy-2-propanol 2.11
    1-methoxy-2-propyl acetate 2.16
    2-(2-methoxypropoxy) propanol 2.81
    mesitylene 0.11
    ε-caprolactone 2.01
    p-cymene 0.12
    epichlorohydrin 4.87
    1,1,1-trichloroethane 0.27
    2-aminoethanol 2.92
    morpholine-4-carbaldehyde 25.73
    sulfolane 21.36
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.84
    n-hexyl acetate 0.98
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 4.72
    sec-butyl acetate 0.26
    tert-butyl acetate 0.59
    decalin 0.01
    glycerin 9.61
    diglyme 9.67
    acrylic acid 4.16
    isopropyl myristate 0.26
    n-butyric acid 1.15
    acetyl acetate 1.62
    di(2-ethylhexyl) phthalate 0.66
    ethyl propionate 0.52
    nitromethane 24.15
    1,2-diethoxyethane 1.37
    benzonitrile 0.66
    trioctyl phosphate 0.44
    1-bromopropane 0.13
    gamma-valerolactone 16.46
    n-decanol 0.27
    triethyl phosphate 0.46
    4-methyl-2-pentanol 0.08
    propionitrile 0.34
    vinylene carbonate 3.58
    1,1,2-trichlorotrifluoroethane 14.81
    DMS 1.42
    cumene 0.07
    2-octanol 0.25
    2-hexanone 0.45
    octyl acetate 0.54
    limonene 0.14
    1,2-dimethoxyethane 4.6
    ethyl orthosilicate 0.38
    tributyl phosphate 0.33
    diacetone alcohol 1.67
    N,N-dimethylaniline 0.52
    acrylonitrile 1.13
    aniline 0.5
    1,3-propanediol 2.09
    bromobenzene 0.23
    dibromomethane 0.45
    1,1,2,2-tetrachloroethane 1.28
    2-methyl-cyclohexyl acetate 0.46
    tetrabutyl urea 0.72
    diisobutyl methanol 0.08
    2-phenylethanol 0.74
    styrene 0.12
    dioctyl adipate 0.73
    dimethyl sulfate 10.6
    ethyl butyrate 0.48
    methyl lactate 4.55
    butyl lactate 1.75
    diethyl carbonate 0.36
    propanediol butyl ether 4.6
    triethyl orthoformate 0.61
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 2.42
    morpholine 3.7
    tert-butylamine 0.05
    n-dodecanol 0.16
    dimethoxymethane 9.28
    ethylene carbonate 1.91
    cyrene 6.82
    2-ethoxyethyl acetate 3.31
    2-ethylhexyl acetate 0.29
    1,2,4-trichlorobenzene 0.51
    4-methylpyridine 1.06
    dibutyl ether 0.24
    2,6-dimethyl-4-heptanol 0.08
    DEF 2.19
    dimethyl isosorbide 6.3
    tetrachloroethylene 1.21
    eugenol 2.89
    triacetin 3.37
    span 80 3.05
    1,4-butanediol 1.06
    1,1-dichloroethane 0.27
    2-methyl-1-pentanol 0.12
    methyl formate 9.9
    2-methyl-1-butanol 0.13
    n-decane 0.03
    butyronitrile 0.24
    3,7-dimethyl-1-octanol 0.2
    1-chlorooctane 0.13
    1-chlorotetradecane 0.04
    n-nonane 0.03
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.43
    tetrahydropyran 0.7
    tert-amyl methyl ether 0.19
    2,5,8-trioxanonane 6.42
    1-hexene 0.03
    2-isopropoxyethanol 1.81
    2,2,2-trifluoroethanol 8.14
    methyl butyrate 0.66

    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