3,5-Dihydroxy-4'-Methoxystilbene-3Beta-D-Glucopyranoside

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  • Identifiers

    CAS number
    30197-14-9

    Molecular formula
    C21H24O8

    SMILES
    COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 50.08%
    Odorless 44.88%
    Vanilla 38.72%
    Spicy 34.37%
    Balsamic 30.27%
    Phenolic 26.83%
    Powdery 23.42%
    Bitter 22.44%
    Floral 21.98%
    Fruity 21.11%

     

    Flavor
    Bitter 80.3%
    Bland 25.07%
    Odorless 24.99%
    Sweet-like 22.95%
    Cedarleaf 20.58%
    Parsley 19.89%
    Lovage 19.77%
    Ethyl benzoate 19.59%
    Nitrile 19.01%
    Eugenol 19.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.37 (neutral)

    Molecular weight
    404.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2575°C

    Flash point

    • 262.58 ˚C est.

  • Synonyms

    • (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    • (2S,3R,4S,5S,6R)-2-(3-hydroxy-5-((E)-2-(4-methoxyphenyl)ethenyl)phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
    • RefChem:1065911
    • 3,5-Dihydroxy-4'-Methoxystilbene-3Beta-D-Glucopyranoside
    • Desoxyrhaponticin
    • 30197-14-9
    • Deoxyrhapontin
    • 3,5-Dihydroxy-4'-methoxystilbene 3-O-beta-D-glucoside
    • Deoxyrhaponticin
    • trans-Desoxyrhaponticin
    • deoxyrha-pontin
    • MFCD00063444
    • Spectrum5_000647
    • Desoxyrhaponticin (Standard)
    • BSPBio_003505
    • SPECTRUM1500827
    • CHEMBL113536
    • orb1297678
    • SCHEMBL29381871
    • CHEBI:92255
    • HY-N2486R
    • CHEBI:189522
    • HY-N2486
    • CCG-38844
    • s3300
    • AKOS037514943
    • EBC-615455
    • FD74178
    • NCGC00178025-01
    • (2S,3R,4S,5S,6R)-2-(3-Hydroxy-5-((E)-4-methoxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
    • (2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(1E)-2-(4-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
    • AC-34608
    • BS-16472
    • DA-62799
    • CS-0022757
    • BRD-K14536225-001-02-7
    • BRD-K52015643-001-01-1
    • 3,5-dihydroxy-4'-methoxystilbene-3-O-beta-D-glucopyranoside
    • (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-methoxyphenyl)vinyl]phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
    • 30197-14-9

  • Applications

    3,5-Dihydroxy-4'-Methoxystilbene-3Beta-D-Glucopyranoside is primarily used as a synthetic intermediate for the preparation of stilbene-based compounds, including derivatives relevant to pharmaceutical, agrochemical, and polymer research. It is studied in cosmetic and personal care research as a potential antioxidant and formulation stabilizer due to its polyphenolic glycoside structure. In analytical settings, it serves as a reference material or model compound for LC-MS and HPLC profiling of glycosylated stilbenes in natural product studies. The compound also functions as a research tool to explore glycoside hydrolysis and biotransformation of stilbene glycosides in enzymatic systems. Its use is typically directional and subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.74
    methanol 41.84
    isopropanol 8.69
    water 0.55
    ethyl acetate 2.18
    n-propanol 15.17
    acetone 33.0
    n-butanol 9.78
    acetonitrile 4.89
    DMF 73.28
    toluene 0.84
    isobutanol 4.19
    1,4-dioxane 18.21
    methyl acetate 3.96
    THF 85.65
    2-butanone 10.23
    n-pentanol 3.14
    sec-butanol 6.53
    n-hexane 0.05
    ethylene glycol 30.84
    NMP 31.94
    cyclohexane 0.18
    DMSO 708.07
    n-butyl acetate 0.29
    n-octanol 2.43
    chloroform 0.71
    n-propyl acetate 0.51
    acetic acid 61.75
    dichloromethane 0.7
    cyclohexanone 10.14
    propylene glycol 46.42
    isopropyl acetate 1.39
    DMAc 100.74
    2-ethoxyethanol 50.48
    isopentanol 4.25
    n-heptane 0.16
    ethyl formate 3.45
    1,2-dichloroethane 1.22
    n-hexanol 1.42
    2-methoxyethanol 148.21
    isobutyl acetate 0.29
    tetrachloromethane 0.19
    n-pentyl acetate 1.07
    transcutol 57.62
    n-heptanol 2.38
    ethylbenzene 0.22
    MIBK 2.68
    2-propoxyethanol 18.01
    tert-butanol 6.86
    MTBE 1.8
    2-butoxyethanol 11.1
    propionic acid 10.9
    o-xylene 0.57
    formic acid 76.24
    diethyl ether 2.94
    m-xylene 0.5
    p-xylene 0.23
    chlorobenzene 0.28
    dimethyl carbonate 7.22
    n-octane 0.1
    formamide 98.28
    cyclopentanone 24.1
    2-pentanone 7.0
    anisole 1.53
    cyclopentyl methyl ether 6.62
    gamma-butyrolactone 19.15
    1-methoxy-2-propanol 74.99
    pyridine 6.47
    3-pentanone 4.01
    furfural 13.12
    n-dodecane 0.09
    diethylene glycol 33.74
    diisopropyl ether 0.45
    tert-amyl alcohol 4.85
    acetylacetone 14.25
    n-hexadecane 0.1
    acetophenone 1.8
    methyl propionate 5.38
    isopentyl acetate 0.46
    trichloroethylene 2.31
    n-nonanol 2.59
    cyclohexanol 5.26
    benzyl alcohol 3.18
    2-ethylhexanol 0.64
    isooctanol 1.74
    dipropyl ether 1.48
    1,2-dichlorobenzene 0.29
    ethyl lactate 3.58
    propylene carbonate 3.59
    n-methylformamide 35.91
    2-pentanol 3.49
    n-pentane 0.11
    1-propoxy-2-propanol 8.23
    1-methoxy-2-propyl acetate 3.34
    2-(2-methoxypropoxy) propanol 12.81
    mesitylene 0.29
    ε-caprolactone 6.01
    p-cymene 0.23
    epichlorohydrin 19.49
    1,1,1-trichloroethane 0.46
    2-aminoethanol 47.97
    morpholine-4-carbaldehyde 40.75
    sulfolane 60.89
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 9.27
    n-hexyl acetate 1.93
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 19.31
    sec-butyl acetate 0.37
    tert-butyl acetate 2.09
    decalin 0.05
    glycerin 96.26
    diglyme 33.65
    acrylic acid 15.53
    isopropyl myristate 0.96
    n-butyric acid 8.81
    acetyl acetate 2.21
    di(2-ethylhexyl) phthalate 1.72
    ethyl propionate 0.86
    nitromethane 71.69
    1,2-diethoxyethane 4.71
    benzonitrile 0.94
    trioctyl phosphate 1.32
    1-bromopropane 0.49
    gamma-valerolactone 42.18
    n-decanol 1.82
    triethyl phosphate 0.99
    4-methyl-2-pentanol 1.3
    propionitrile 2.39
    vinylene carbonate 3.48
    1,1,2-trichlorotrifluoroethane 35.6
    DMS 2.15
    cumene 0.16
    2-octanol 1.26
    2-hexanone 1.17
    octyl acetate 1.61
    limonene 0.41
    1,2-dimethoxyethane 27.6
    ethyl orthosilicate 1.0
    tributyl phosphate 1.13
    diacetone alcohol 12.73
    N,N-dimethylaniline 1.3
    acrylonitrile 4.4
    aniline 2.91
    1,3-propanediol 53.31
    bromobenzene 0.18
    dibromomethane 0.43
    1,1,2,2-tetrachloroethane 2.42
    2-methyl-cyclohexyl acetate 0.89
    tetrabutyl urea 2.24
    diisobutyl methanol 0.58
    2-phenylethanol 1.81
    styrene 0.24
    dioctyl adipate 2.36
    dimethyl sulfate 17.71
    ethyl butyrate 0.66
    methyl lactate 19.02
    butyl lactate 2.84
    diethyl carbonate 0.59
    propanediol butyl ether 13.9
    triethyl orthoformate 1.28
    p-tert-butyltoluene 0.25
    methyl 4-tert-butylbenzoate 5.43
    morpholine 35.8
    tert-butylamine 1.37
    n-dodecanol 1.24
    dimethoxymethane 59.05
    ethylene carbonate 2.69
    cyrene 14.2
    2-ethoxyethyl acetate 3.23
    2-ethylhexyl acetate 0.28
    1,2,4-trichlorobenzene 0.58
    4-methylpyridine 2.54
    dibutyl ether 1.3
    2,6-dimethyl-4-heptanol 0.58
    DEF 10.06
    dimethyl isosorbide 15.12
    tetrachloroethylene 1.83
    eugenol 5.98
    triacetin 5.25
    span 80 9.42
    1,4-butanediol 11.34
    1,1-dichloroethane 0.52
    2-methyl-1-pentanol 1.74
    methyl formate 22.88
    2-methyl-1-butanol 4.21
    n-decane 0.17
    butyronitrile 1.85
    3,7-dimethyl-1-octanol 1.54
    1-chlorooctane 0.53
    1-chlorotetradecane 0.23
    n-nonane 0.14
    undecane 0.12
    tert-butylcyclohexane 0.04
    cyclooctane 0.1
    cyclopentanol 9.45
    tetrahydropyran 8.97
    tert-amyl methyl ether 2.02
    2,5,8-trioxanonane 26.83
    1-hexene 0.16
    2-isopropoxyethanol 13.12
    2,2,2-trifluoroethanol 16.49
    methyl butyrate 1.23

    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