Asparagoside B

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  • Identifiers

    CAS number
    60237-69-6

    Molecular formula
    C33H56O9

    SMILES
    C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@@H](C5)O)C)C)O[C@@]1(CC[C@H](C)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 42.11%
    Woody 40.22%
    Sweet 39.09%
    Mint 35.11%
    Cooling 32.03%
    Balsamic 30.06%
    Amber 28.6%
    Sandalwood 28.52%
    Spicy 26.37%
    Dry 22.8%

     

    Flavor
    Sweet 38.96%
    Fatty 35.86%
    Bitter 35.05%
    Odorless 30.65%
    Sweet-like 26.0%
    Metallic 22.91%
    Mentholic 22.27%
    Herbal 22.08%
    Earthy 21.77%
    Cedarleaf 21.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    5.39 (weak acid)

    Molecular weight
    596.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    310°C

    Flash point

    • 275.7 ˚C est.

  • Synonyms

    • Asparagoside B
    • timosaponin BII-b
    • SCHEMBL29934553
    • CHEBI:169892
    • DTXSID401172668
    • (2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-6,16-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    • NS00094582
    • (22R,25S)-3beta,22-Dihydroxy-5beta-furostan-27-yl beta-D-glucopyranoside
    • (25S)-26-O-beta-D-glucopyranosyl-5beta-furostan-3beta,22alpha,26-triol
    • (3I(2),5I(2),22I+/-,25S)-3,22-Dihydroxyfurostan-26-yl I(2)-D-glucopyranoside
    • 60237-69-6
    • 60237-69-6

  • Applications

    Asparagoside B, a natural glycoside (CAS 60237-69-6), is primarily regarded as a research reagent and a synthetic intermediate in chemical and pharmaceutical development. In industry, it can serve as a starting material for semi-synthetic routes to derive other natural product analogs. It is also considered as a botanical extract component in cosmetic and personal care formulations, and is evaluated in fragrance and flavor research for screening odor and taste properties. In academic and industrial settings, it can function as a reference standard or analytical probe in glycoside chemistry. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.18
    methanol 15.08
    isopropanol 0.42
    water 0.25
    ethyl acetate 1.06
    n-propanol 0.99
    acetone 3.96
    n-butanol 0.56
    acetonitrile 0.79
    DMF 14.51
    toluene 0.52
    isobutanol 0.39
    1,4-dioxane 7.33
    methyl acetate 1.03
    THF 20.46
    2-butanone 1.55
    n-pentanol 0.62
    sec-butanol 0.22
    n-hexane 0.02
    ethylene glycol 2.55
    NMP 18.34
    cyclohexane 0.04
    DMSO 40.2
    n-butyl acetate 0.8
    n-octanol 1.0
    chloroform 2.47
    n-propyl acetate 0.79
    acetic acid 16.45
    dichloromethane 2.28
    cyclohexanone 4.19
    propylene glycol 1.36
    isopropyl acetate 1.0
    DMAc 14.31
    2-ethoxyethanol 7.3
    isopentanol 0.41
    n-heptane 0.04
    ethyl formate 1.69
    1,2-dichloroethane 1.2
    n-hexanol 0.66
    2-methoxyethanol 13.49
    isobutyl acetate 0.62
    tetrachloromethane 0.48
    n-pentyl acetate 2.24
    transcutol 16.22
    n-heptanol 1.35
    ethylbenzene 0.26
    MIBK 1.22
    2-propoxyethanol 8.79
    tert-butanol 0.34
    MTBE 0.33
    2-butoxyethanol 8.72
    propionic acid 1.58
    o-xylene 0.36
    formic acid 20.34
    diethyl ether 0.59
    m-xylene 0.48
    p-xylene 0.3
    chlorobenzene 0.73
    dimethyl carbonate 2.83
    n-octane 0.03
    formamide 15.12
    cyclopentanone 9.16
    2-pentanone 1.61
    anisole 1.22
    cyclopentyl methyl ether 2.43
    gamma-butyrolactone 10.89
    1-methoxy-2-propanol 6.19
    pyridine 4.17
    3-pentanone 1.06
    furfural 13.08
    n-dodecane 0.02
    diethylene glycol 10.13
    diisopropyl ether 0.19
    tert-amyl alcohol 0.24
    acetylacetone 5.92
    n-hexadecane 0.03
    acetophenone 1.98
    methyl propionate 1.55
    isopentyl acetate 0.9
    trichloroethylene 3.69
    n-nonanol 1.13
    cyclohexanol 0.48
    benzyl alcohol 1.84
    2-ethylhexanol 0.38
    isooctanol 0.94
    dipropyl ether 0.69
    1,2-dichlorobenzene 0.78
    ethyl lactate 1.43
    propylene carbonate 3.56
    n-methylformamide 7.78
    2-pentanol 0.22
    n-pentane 0.02
    1-propoxy-2-propanol 3.65
    1-methoxy-2-propyl acetate 3.42
    2-(2-methoxypropoxy) propanol 4.9
    mesitylene 0.28
    ε-caprolactone 3.95
    p-cymene 0.28
    epichlorohydrin 10.2
    1,1,1-trichloroethane 0.66
    2-aminoethanol 3.62
    morpholine-4-carbaldehyde 23.52
    sulfolane 25.7
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.24
    n-hexyl acetate 2.35
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 8.71
    sec-butyl acetate 0.48
    tert-butyl acetate 1.29
    decalin 0.04
    glycerin 6.48
    diglyme 16.44
    acrylic acid 3.66
    isopropyl myristate 0.59
    n-butyric acid 2.19
    acetyl acetate 2.14
    di(2-ethylhexyl) phthalate 1.38
    ethyl propionate 0.7
    nitromethane 17.78
    1,2-diethoxyethane 2.32
    benzonitrile 1.14
    trioctyl phosphate 0.92
    1-bromopropane 0.28
    gamma-valerolactone 28.26
    n-decanol 0.61
    triethyl phosphate 0.68
    4-methyl-2-pentanol 0.25
    propionitrile 0.47
    vinylene carbonate 4.95
    1,1,2-trichlorotrifluoroethane 15.36
    DMS 1.96
    cumene 0.21
    2-octanol 0.54
    2-hexanone 1.04
    octyl acetate 1.1
    limonene 0.3
    1,2-dimethoxyethane 7.39
    ethyl orthosilicate 0.67
    tributyl phosphate 0.66
    diacetone alcohol 3.01
    N,N-dimethylaniline 1.01
    acrylonitrile 1.2
    aniline 1.02
    1,3-propanediol 3.56
    bromobenzene 0.62
    dibromomethane 1.02
    1,1,2,2-tetrachloroethane 2.31
    2-methyl-cyclohexyl acetate 1.09
    tetrabutyl urea 1.23
    diisobutyl methanol 0.24
    2-phenylethanol 1.99
    styrene 0.28
    dioctyl adipate 1.42
    dimethyl sulfate 7.14
    ethyl butyrate 0.75
    methyl lactate 3.59
    butyl lactate 2.88
    diethyl carbonate 0.5
    propanediol butyl ether 7.28
    triethyl orthoformate 0.94
    p-tert-butyltoluene 0.27
    methyl 4-tert-butylbenzoate 4.38
    morpholine 7.34
    tert-butylamine 0.11
    n-dodecanol 0.33
    dimethoxymethane 11.9
    ethylene carbonate 3.14
    cyrene 9.23
    2-ethoxyethyl acetate 5.44
    2-ethylhexyl acetate 0.67
    1,2,4-trichlorobenzene 1.2
    4-methylpyridine 2.06
    dibutyl ether 0.49
    2,6-dimethyl-4-heptanol 0.24
    DEF 2.47
    dimethyl isosorbide 9.46
    tetrachloroethylene 2.58
    eugenol 4.92
    triacetin 4.57
    span 80 4.84
    1,4-butanediol 1.62
    1,1-dichloroethane 0.52
    2-methyl-1-pentanol 0.41
    methyl formate 7.34
    2-methyl-1-butanol 0.33
    n-decane 0.06
    butyronitrile 0.44
    3,7-dimethyl-1-octanol 0.59
    1-chlorooctane 0.27
    1-chlorotetradecane 0.08
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.03
    cyclooctane 0.03
    cyclopentanol 0.89
    tetrahydropyran 1.85
    tert-amyl methyl ether 0.32
    2,5,8-trioxanonane 9.88
    1-hexene 0.08
    2-isopropoxyethanol 3.29
    2,2,2-trifluoroethanol 6.54
    methyl butyrate 0.99

    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