Polydatin

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  • Identifiers

    CAS number
    27208-80-6

    Molecular formula
    C20H22O8

    SMILES
    C1=CC(=CC=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)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 54.48%
    Sweet 38.21%
    Phenolic 33.46%
    Vanilla 31.94%
    Spicy 31.06%
    Balsamic 26.96%
    Bitter 24.02%
    Savory 20.18%
    Smoky 19.2%
    Fruity 18.73%

     

    Flavor
    Bitter 82.56%
    Odorless 29.16%
    Bland 25.56%
    Sweet-like 23.77%
    Cedarleaf 20.82%
    Lovage 19.74%
    Mild 19.69%
    Parsley 19.67%
    Nitrile 19.67%
    Ethyl benzoate 19.35%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.33 (weak base)

    Molecular weight
    390.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2617°C

    Melting point expt.

    • 130 - 140 °C

    Flash point

    • 287.37 ˚C est.

  • Synonyms

    • Piceid
    • Trans-Piceid
    • 27208-80-6
    • 3,4,5-Trihydroxystilbene-3-beta-monoglucoside
    • 3,4,5-Tsg
    • Resveratrol 3-beta-mono-D-glucoside
    • Resveratrol 3-O-beta-glucopyranoside
    • XM261C37CQ
    • 3,4'-5-Trihydroxystilbene-3-beta-D-glucopyranoside
    • resveratrol 3-O-beta-D-glucoside
    • trans-resveratrol 3-beta-glucoside
    • trans-resveratrol 3-beta-D-glucoside
    • trans-resveratrol 3-O-beta-D-glucoside
    • CHEBI:8198
    • 3,4',5-trihydroxystilbene-3-beta-D-glucoside
    • 3-Hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl-beta-D-glucoside
    • beta-D-Glucopyranoside, 3-hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl
    • Polydatin (E)-
    • polydatin, (E)-
    • RefChem:58805
    • Sooryehan Pure-Whitening
    • resveratrol-3-O-glucoside
    • Sooryehan Pure-Whitening Essence
    • Sooryehan Pure Whitening Spot Treatment
    • 5,4'-dihydroxystilbene-3-O-beta-D-Glcp
    • 65914-17-2
    • (2S,3R,4S,5S,6R)-2-(3-Hydroxy-5-(4-hydroxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
    • MFCD00210592
    • Resveratrol 3-O-glucoside
    • (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    • (2S,3R,4S,5S,6R)-2-(3-hydroxy-5-((E)-4-hydroxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
    • MLS001424114
    • 3,5,4'-Trihydroxystilbene 3-glucoside
    • SMR000466371
    • b-D-Glucopyranoside, 3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenyl
    • (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)vinyl]phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
    • (E/Z)-Piceid
    • Resveratrol 3-Glucoside
    • 5-Tsg
    • trans Resveratrol 3-O-b-D-glucopyranoside, 98%
    • picied
    • UNII-XM261C37CQ
    • E/Z-Polydatin
    • resveratrol-3-O-beta-d-glucopyranoside
    • E/Z-Piceid
    • (2S,3R,4S,5S,6R)-2-[3-Hydroxy-5-[(E)-4-hydroxystyryl]phenoxy]-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
    • Resveratrol glucoside
    • (E)-Piceid
    • 5-Trihydroxystilbene-3-beta-monoglucoside
    • 3-Hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenyl beta-D-glucopyranoside
    • Resveratrol 5-O-glucoside
    • SCHEMBL41411
    • MLS000759499
    • trans-Resveratrol 3-glucoside
    • E-resveratrol 3-beta-glucoside
    • CHEMBL142652
    • orb1304822
    • Resveratrol 3-beta-D-glucoside
    • SCHEMBL29355763
    • trans-Resveratrol 3-O-glucoside
    • BDBM60919
    • CHEBI:94610
    • cid_5281718
    • Reservatrol-3-b-mono-D-glucoside
    • resveratrol-3-O-beta-D-glucoside
    • DTXSID001030555
    • HMS2051A20
    • HMS6019I03
    • BB_NC-01425
    • HY-N0120
    • MSK40284
    • Resveratrol 3-O-b-D-glucopyranoside
    • resveratrol-3-O-b-mono-D-glucoside
    • EBC-26914
    • LMPK13090012
    • s2390
    • AKOS015961013
    • CCG-100895
    • DB11263
    • KS-5384
    • MT06138
    • NC00145
    • Resveratrol 3-.beta.-mono-d-glucoside
    • NCGC00246971-01
    • NCGC00246971-04
    • NCGC00246971-10
    • NCGC00246971-11
    • (2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
    • AS-13910
    • DA-69167
    • SY056143
    • trans-resveratrol 3-beta-d-glucopyranoside
    • trans-resveratrol-3-beta-D-glucopyranoside
    • CS-0007830
    • NS00069817
    • AB00639953-07
    • EN300-7416763
    • 3,4',5-Trihydroxystilbene-3-b-D-glucopyranoside
    • 914P172
    • 5,4'-dihydroxystilbene-3-O-beta-D-glucopyranoside
    • Q3902665
    • RESVERATROL 3-.BETA.-MONO-D-GLUCOSIDE [MI]
    • 3,5,4'-trihydroxystilbene 3-O-beta-D-glucopyranoside
    • BRD-K43236057-001-07-1
    • 3,4'-5-Trihydroxystilbene-3-beta-D-glucopyranoside, 97%
    • 3,4'-5-TRIHYDROXYSTILBENE-3-.BETA.-D-GLUCOPYRANOSIDE
    • 3-Hydroxy-5-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenyl-beta-D-glucopyranoside
    • 3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl beta-D-glucopyranoside
    • GLUCOPYRANOSIDE, 3-HYDROXY-5-(P-HYDROXYSTYRYL)PHENYL, .BETA.-D-
    • .BETA.-D-GLUCOPYRANOSIDE, 3-HYDROXY-5-((1E)-2-(4-HYDROXYPHENYL)ETHENYL)PHENYL
    • .BETA.-D-GLUCOPYRANOSIDE, 3-HYDROXY-5-(2-(4-HYDROXYPHENYL)ETHENYL)PHENYL
    • 5-((1E)-2-(4-HYDROXYPHENYL)ETHENYL)-1,3-BENZENEDIOL-3-.BETA.-MONO-D-GLUCOSIDE
    • beta-D-Glucopyranoside, 3-hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl-, (E)-
    • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]oxane-3,4,5-triol
    • (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)vinyl]phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol
    • .beta.-D-Glucopyranoside, 3-hydroxy-5-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenyl3,5,4'-Trihydroxystilbene 3-glucoside
    • 27208-80-6

  • Applications

    Polydatin (CAS 27208-80-6) is a natural polyphenol existing as the glycoside of resveratrol. In industrial contexts, it is regarded as a potential precursor or intermediate for resveratrol synthesis and is used in pharmaceutical research and development of polyphenol-based products. In cosmetics and personal care, polydatin is explored as a natural antioxidant bioactive ingredient suitable for inclusion in skin and hair care formulations. In food processing and nutraceuticals, it is evaluated for inclusion in nutraceutical formulations and for studies on bioavailability and stability of polyphenols, with attention to regulatory constraints. In analytical chemistry, polydatin can be employed as a reference standard or analytical target for quantifying polyphenols in plant extracts. In agriculture/plant science, it can serve as a marker compound in Polygonum extracts and in plant metabolomics investigations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25.59
    methanol 72.04
    isopropanol 11.8
    water 1.1
    ethyl acetate 1.43
    n-propanol 19.37
    acetone 33.09
    n-butanol 10.25
    acetonitrile 4.81
    DMF 76.1
    toluene 0.52
    isobutanol 4.2
    1,4-dioxane 15.33
    methyl acetate 2.9
    THF 58.62
    2-butanone 9.18
    n-pentanol 2.71
    sec-butanol 7.26
    n-hexane 0.04
    ethylene glycol 51.95
    NMP 26.02
    cyclohexane 0.13
    DMSO 633.54
    n-butyl acetate 0.2
    n-octanol 2.29
    chloroform 0.15
    n-propyl acetate 0.31
    acetic acid 60.9
    dichloromethane 0.11
    cyclohexanone 7.26
    propylene glycol 71.12
    isopropyl acetate 1.02
    DMAc 92.88
    2-ethoxyethanol 59.12
    isopentanol 3.83
    n-heptane 0.14
    ethyl formate 2.68
    1,2-dichloroethane 0.33
    n-hexanol 1.35
    2-methoxyethanol 206.11
    isobutyl acetate 0.16
    tetrachloromethane 0.08
    n-pentyl acetate 0.79
    transcutol 56.57
    n-heptanol 2.35
    ethylbenzene 0.16
    MIBK 2.22
    2-propoxyethanol 19.3
    tert-butanol 7.51
    MTBE 1.52
    2-butoxyethanol 12.08
    propionic acid 10.06
    o-xylene 0.39
    formic acid 94.52
    diethyl ether 2.57
    m-xylene 0.36
    p-xylene 0.15
    chlorobenzene 0.11
    dimethyl carbonate 5.21
    n-octane 0.1
    formamide 133.04
    cyclopentanone 17.7
    2-pentanone 6.45
    anisole 0.99
    cyclopentyl methyl ether 4.68
    gamma-butyrolactone 13.6
    1-methoxy-2-propanol 95.85
    pyridine 4.76
    3-pentanone 3.13
    furfural 10.08
    n-dodecane 0.07
    diethylene glycol 40.0
    diisopropyl ether 0.37
    tert-amyl alcohol 5.14
    acetylacetone 12.05
    n-hexadecane 0.08
    acetophenone 1.14
    methyl propionate 4.08
    isopentyl acetate 0.29
    trichloroethylene 0.61
    n-nonanol 2.42
    cyclohexanol 4.21
    benzyl alcohol 2.38
    2-ethylhexanol 0.53
    isooctanol 1.62
    dipropyl ether 1.25
    1,2-dichlorobenzene 0.1
    ethyl lactate 3.1
    propylene carbonate 2.23
    n-methylformamide 41.39
    2-pentanol 3.4
    n-pentane 0.1
    1-propoxy-2-propanol 8.91
    1-methoxy-2-propyl acetate 2.77
    2-(2-methoxypropoxy) propanol 13.3
    mesitylene 0.22
    ε-caprolactone 4.23
    p-cymene 0.16
    epichlorohydrin 11.24
    1,1,1-trichloroethane 0.14
    2-aminoethanol 78.04
    morpholine-4-carbaldehyde 38.76
    sulfolane 44.59
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 6.47
    n-hexyl acetate 1.42
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 20.34
    sec-butyl acetate 0.24
    tert-butyl acetate 1.7
    decalin 0.04
    glycerin 140.09
    diglyme 33.82
    acrylic acid 14.29
    isopropyl myristate 0.74
    n-butyric acid 7.19
    acetyl acetate 1.26
    di(2-ethylhexyl) phthalate 1.37
    ethyl propionate 0.57
    nitromethane 69.21
    1,2-diethoxyethane 3.67
    benzonitrile 0.55
    trioctyl phosphate 1.13
    1-bromopropane 0.18
    gamma-valerolactone 38.09
    n-decanol 1.71
    triethyl phosphate 0.66
    4-methyl-2-pentanol 1.19
    propionitrile 2.04
    vinylene carbonate 2.01
    1,1,2-trichlorotrifluoroethane 27.44
    DMS 1.46
    cumene 0.11
    2-octanol 1.12
    2-hexanone 0.86
    octyl acetate 1.29
    limonene 0.29
    1,2-dimethoxyethane 27.67
    ethyl orthosilicate 0.67
    tributyl phosphate 0.85
    diacetone alcohol 12.67
    N,N-dimethylaniline 0.98
    acrylonitrile 3.82
    aniline 2.1
    1,3-propanediol 76.4
    bromobenzene 0.06
    dibromomethane 0.08
    1,1,2,2-tetrachloroethane 0.79
    2-methyl-cyclohexyl acetate 0.54
    tetrabutyl urea 1.9
    diisobutyl methanol 0.51
    2-phenylethanol 1.39
    styrene 0.14
    dioctyl adipate 1.82
    dimethyl sulfate 11.89
    ethyl butyrate 0.43
    methyl lactate 19.3
    butyl lactate 2.6
    diethyl carbonate 0.36
    propanediol butyl ether 15.8
    triethyl orthoformate 0.85
    p-tert-butyltoluene 0.19
    methyl 4-tert-butylbenzoate 4.65
    morpholine 33.92
    tert-butylamine 1.43
    n-dodecanol 1.16
    dimethoxymethane 57.27
    ethylene carbonate 1.54
    cyrene 12.94
    2-ethoxyethyl acetate 2.37
    2-ethylhexyl acetate 0.17
    1,2,4-trichlorobenzene 0.22
    4-methylpyridine 1.63
    dibutyl ether 1.04
    2,6-dimethyl-4-heptanol 0.51
    DEF 8.5
    dimethyl isosorbide 13.69
    tetrachloroethylene 0.68
    eugenol 5.48
    triacetin 4.02
    span 80 9.7
    1,4-butanediol 14.42
    1,1-dichloroethane 0.14
    2-methyl-1-pentanol 1.39
    methyl formate 22.92
    2-methyl-1-butanol 3.86
    n-decane 0.14
    butyronitrile 1.51
    3,7-dimethyl-1-octanol 1.34
    1-chlorooctane 0.4
    1-chlorotetradecane 0.17
    n-nonane 0.12
    undecane 0.1
    tert-butylcyclohexane 0.02
    cyclooctane 0.08
    cyclopentanol 8.0
    tetrahydropyran 6.63
    tert-amyl methyl ether 1.8
    2,5,8-trioxanonane 26.39
    1-hexene 0.13
    2-isopropoxyethanol 13.3
    2,2,2-trifluoroethanol 12.82
    methyl butyrate 0.82

    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