Eleutheroside B1

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  • Identifiers

    CAS number
    16845-16-2

    Molecular formula
    C17H20O10

    SMILES
    COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.86%
    Vanilla 43.77%
    Sweet 32.14%
    Milky 30.18%
    Caramellic 28.18%
    Creamy 25.91%
    Dairy 21.27%
    Burnt 20.69%
    Phenolic 20.54%
    Savory 19.76%

     

    Flavor
    Bitter 72.09%
    Bland 32.85%
    Odorless 30.8%
    Sweet-like 26.53%
    Eugenol 21.06%
    Parsley 20.82%
    Cedarleaf 20.61%
    Very mild 20.46%
    Naphthalic 19.54%
    Fenugreek 19.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    6.7 (neutral)

    Molecular weight
    384.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1866°C

    Flash point

    • 247.53 ˚C est.

  • Synonyms

    • Eleutheroside B1
    • 16845-16-2
    • Eleutheroside-B1
    • AZA7PP6D4R
    • Isofraxidin alpha-D-glucopyranoside
    • Isofraxidin 7-o-alpha-D-glucopyranoside
    • 6,8-dimethoxy-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
    • 7-(alpha-D-Glucopyranosyloxy)-6,8-dimethoxy-2H-1-benzopyran-2-one
    • ISOFRAXIDIN .ALPHA.-D-GLUCOPYRANOSIDE
    • 2H-1-Benzopyran-2-one, 7-(alpha-D-glucopyranosyloxy)-6,8-dimethoxy-
    • ISOFRAXIDIN 7-O-.ALPHA.-D-GLUCOPYRANOSIDE
    • 7-(.ALPHA.-D-GLUCOPYRANOSYLOXY)-6,8-DIMETHOXY-2H-1-BENZOPYRAN-2-ONE
    • 2H-1-BENZOPYRAN-2-ONE, 7-(.ALPHA.-D-GLUCOPYRANOSYLOXY)-6,8-DIMETHOXY-
    • 6,8-dimethoxy-7-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-2-one
    • RefChem:136487
    • ELEUTHEROSIDE B1(RG)
    • UNII-AZA7PP6D4R
    • 6,8-Dimethoxy-7-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one
    • orb1297169
    • SCHEMBL29500485
    • DTXSID801316838
    • AKOS040760770
    • EBC-616528
    • 6,8-dimethoxy-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one
    • AC-34064
    • DA-52856
    • MS-26315
    • HY-135646
    • CS-0113675
    • E80556
    • 6,8-Dimethoxy-2-oxo-2H-1-benzopyran-7-yl alpha-D-glucopyranoside
    • 16845-16-2

  • Applications

    Eleutheroside B1 (CAS 16845-16-2) is a phenolic glycoside isolated from Eleutherococcus species. In industry, it is primarily used as a quality marker for Eleutherococcus-based botanical extracts and as an active constituent studied in pharmaceutical and nutraceutical research. It serves as a reference standard for analytical methods (HPLC/LC-MS) to quantify the compound in extracts. It is also investigated as a bioactive ingredient in cosmetic and personal care formulations derived from botanical extracts. Additionally, it is considered in plant-based product development and quality-control workflows to help standardize adaptogenic preparations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.84
    methanol 6.75
    isopropanol 3.16
    water 1.26
    ethyl acetate 0.57
    n-propanol 4.1
    acetone 2.66
    n-butanol 2.27
    acetonitrile 1.08
    DMF 27.52
    toluene 0.16
    isobutanol 1.66
    1,4-dioxane 5.16
    methyl acetate 1.38
    THF 9.94
    2-butanone 2.12
    n-pentanol 1.43
    sec-butanol 2.5
    n-hexane 0.04
    ethylene glycol 17.68
    NMP 38.75
    cyclohexane 0.11
    DMSO 110.45
    n-butyl acetate 0.44
    n-octanol 1.02
    chloroform 0.19
    n-propyl acetate 0.5
    acetic acid 19.32
    dichloromethane 0.39
    cyclohexanone 4.56
    propylene glycol 9.4
    isopropyl acetate 0.35
    DMAc 37.18
    2-ethoxyethanol 12.47
    isopentanol 1.27
    n-heptane 0.13
    ethyl formate 1.26
    1,2-dichloroethane 0.62
    n-hexanol 1.02
    2-methoxyethanol 28.73
    isobutyl acetate 0.23
    tetrachloromethane 0.07
    n-pentyl acetate 0.74
    transcutol 15.75
    n-heptanol 1.38
    ethylbenzene 0.12
    MIBK 0.49
    2-propoxyethanol 6.96
    tert-butanol 1.91
    MTBE 0.47
    2-butoxyethanol 5.47
    propionic acid 4.48
    o-xylene 0.23
    formic acid 48.83
    diethyl ether 0.67
    m-xylene 0.14
    p-xylene 0.18
    chlorobenzene 0.11
    dimethyl carbonate 1.99
    n-octane 0.08
    formamide 52.23
    cyclopentanone 7.12
    2-pentanone 1.0
    anisole 0.39
    cyclopentyl methyl ether 1.72
    gamma-butyrolactone 9.94
    1-methoxy-2-propanol 12.46
    pyridine 2.81
    3-pentanone 0.98
    furfural 7.78
    n-dodecane 0.06
    diethylene glycol 16.55
    diisopropyl ether 0.13
    tert-amyl alcohol 1.75
    acetylacetone 1.75
    n-hexadecane 0.06
    acetophenone 1.01
    methyl propionate 1.47
    isopentyl acetate 0.45
    trichloroethylene 0.67
    n-nonanol 1.12
    cyclohexanol 2.39
    benzyl alcohol 1.5
    2-ethylhexanol 0.58
    isooctanol 0.93
    dipropyl ether 0.8
    1,2-dichlorobenzene 0.14
    ethyl lactate 1.76
    propylene carbonate 2.2
    n-methylformamide 13.06
    2-pentanol 1.01
    n-pentane 0.06
    1-propoxy-2-propanol 3.85
    1-methoxy-2-propyl acetate 1.47
    2-(2-methoxypropoxy) propanol 5.06
    mesitylene 0.09
    ε-caprolactone 4.23
    p-cymene 0.21
    epichlorohydrin 5.3
    1,1,1-trichloroethane 0.1
    2-aminoethanol 13.44
    morpholine-4-carbaldehyde 25.57
    sulfolane 30.18
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 3.03
    n-hexyl acetate 0.87
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 7.55
    sec-butyl acetate 0.27
    tert-butyl acetate 0.46
    decalin 0.04
    glycerin 32.45
    diglyme 12.51
    acrylic acid 7.43
    isopropyl myristate 0.43
    n-butyric acid 2.51
    acetyl acetate 0.51
    di(2-ethylhexyl) phthalate 0.88
    ethyl propionate 0.5
    nitromethane 15.87
    1,2-diethoxyethane 1.74
    benzonitrile 0.62
    trioctyl phosphate 0.74
    1-bromopropane 0.22
    gamma-valerolactone 16.89
    n-decanol 0.85
    triethyl phosphate 0.7
    4-methyl-2-pentanol 0.4
    propionitrile 0.82
    vinylene carbonate 1.97
    1,1,2-trichlorotrifluoroethane 12.99
    DMS 1.1
    cumene 0.1
    2-octanol 0.69
    2-hexanone 0.75
    octyl acetate 0.74
    limonene 0.33
    1,2-dimethoxyethane 8.88
    ethyl orthosilicate 0.62
    tributyl phosphate 0.68
    diacetone alcohol 3.03
    N,N-dimethylaniline 0.55
    acrylonitrile 1.8
    aniline 0.89
    1,3-propanediol 13.54
    bromobenzene 0.07
    dibromomethane 0.22
    1,1,2,2-tetrachloroethane 0.78
    2-methyl-cyclohexyl acetate 0.73
    tetrabutyl urea 1.8
    diisobutyl methanol 0.34
    2-phenylethanol 1.15
    styrene 0.11
    dioctyl adipate 1.04
    dimethyl sulfate 5.76
    ethyl butyrate 0.58
    methyl lactate 5.55
    butyl lactate 1.64
    diethyl carbonate 0.47
    propanediol butyl ether 5.56
    triethyl orthoformate 0.83
    p-tert-butyltoluene 0.18
    methyl 4-tert-butylbenzoate 2.23
    morpholine 10.51
    tert-butylamine 0.56
    n-dodecanol 0.61
    dimethoxymethane 8.27
    ethylene carbonate 1.61
    cyrene 8.39
    2-ethoxyethyl acetate 1.54
    2-ethylhexyl acetate 0.34
    1,2,4-trichlorobenzene 0.28
    4-methylpyridine 1.15
    dibutyl ether 0.59
    2,6-dimethyl-4-heptanol 0.34
    DEF 3.87
    dimethyl isosorbide 6.55
    tetrachloroethylene 0.7
    eugenol 2.63
    triacetin 1.97
    span 80 4.24
    1,4-butanediol 5.67
    1,1-dichloroethane 0.16
    2-methyl-1-pentanol 0.9
    methyl formate 7.58
    2-methyl-1-butanol 1.41
    n-decane 0.1
    butyronitrile 0.62
    3,7-dimethyl-1-octanol 0.55
    1-chlorooctane 0.24
    1-chlorotetradecane 0.12
    n-nonane 0.09
    undecane 0.07
    tert-butylcyclohexane 0.02
    cyclooctane 0.05
    cyclopentanol 4.41
    tetrahydropyran 2.48
    tert-amyl methyl ether 0.6
    2,5,8-trioxanonane 10.5
    1-hexene 0.11
    2-isopropoxyethanol 4.88
    2,2,2-trifluoroethanol 10.35
    methyl butyrate 0.78

    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