4-(7-(beta-D-Glucopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl (2E)-3-(3,4-dihydroxyphenyl)-2-propenoate

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  • Identifiers

    CAS number
    20196-92-3

    Molecular formula
    C30H26O13

    SMILES
    C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC(=O)/C=C/C5=CC(=C(C=C5)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 75.23%
    Phenolic 27.87%
    Vanilla 27.03%
    Balsamic 22.84%
    Savory 22.77%
    Milky 20.99%
    Burnt 20.32%
    Bitter 19.9%
    Spicy 19.7%
    Dairy 16.58%

     

    Flavor
    Bitter 88.55%
    Odorless 36.89%
    Bland 32.2%
    Sweet-like 23.72%
    Cedarleaf 19.96%
    Very mild 19.78%
    Lovage 19.65%
    Parsley 19.49%
    Nitrile 19.23%
    Ethyl benzoate 18.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    9.26 (weak base)

    Molecular weight
    594.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4153°C

    Flash point

    • 322.96 ˚C est.

  • Synonyms

    • 20196-92-3
    • 4-(7-(beta-D-Glucopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl (2E)-3-(3,4-dihydroxyphenyl)-2-propenoate
    • 4-[7-(beta-D-Glucopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]phenyl (2E)-3-(3,4-dihydroxyphenyl)-2-propenoate
    • RefChem:288392
    • DTXSID801106889
    • 4-[7-(I(2)-D-Glucopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]phenyl (2E)-3-(3,4-dihydroxyphenyl)-2-propenoate
    • 20196-92-3

  • Applications

    The chemical name 4-(7-(beta-D-Glucopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl (2E)-3-(3,4-dihydroxyphenyl)-2-propenoate (CAS 20196-92-3) has applications as a synthetic intermediate and additive across several industries. In cosmetics and personal care, it is regarded as an antioxidant and may serve as a precursor for fragrance ingredients; in pharmaceuticals and biochemical synthesis, it acts as a synthetic intermediate for polyphenol-based actives. In polymers and coatings, it may be used as an additive to improve formulation stability and as a UV-absorbing/antioxidant agent for resins and coatings. In the fragrance industry, it may function as a fragrance precursor or odorant additive in formulations. Applications would be subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.37
    methanol 2.3
    isopropanol 0.51
    water 0.01
    ethyl acetate 0.05
    n-propanol 1.21
    acetone 1.04
    n-butanol 0.4
    acetonitrile 0.08
    DMF 14.13
    toluene 0.03
    isobutanol 0.29
    1,4-dioxane 2.61
    methyl acetate 0.22
    THF 7.02
    2-butanone 0.82
    n-pentanol 0.25
    sec-butanol 0.48
    n-hexane 0.0
    ethylene glycol 4.2
    NMP 9.03
    cyclohexane 0.0
    DMSO 39.94
    n-butyl acetate 0.03
    n-octanol 0.16
    chloroform 0.02
    n-propyl acetate 0.05
    acetic acid 2.76
    dichloromethane 0.03
    cyclohexanone 0.68
    propylene glycol 6.94
    isopropyl acetate 0.03
    DMAc 12.05
    2-ethoxyethanol 5.51
    isopentanol 0.14
    n-heptane 0.0
    ethyl formate 0.19
    1,2-dichloroethane 0.04
    n-hexanol 0.06
    2-methoxyethanol 16.74
    isobutyl acetate 0.02
    tetrachloromethane 0.0
    n-pentyl acetate 0.11
    transcutol 7.48
    n-heptanol 0.15
    ethylbenzene 0.01
    MIBK 0.06
    2-propoxyethanol 2.04
    tert-butanol 0.2
    MTBE 0.07
    2-butoxyethanol 1.78
    propionic acid 0.78
    o-xylene 0.01
    formic acid 5.38
    diethyl ether 0.1
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 0.25
    n-octane 0.0
    formamide 5.32
    cyclopentanone 2.17
    2-pentanone 0.24
    anisole 0.05
    cyclopentyl methyl ether 0.23
    gamma-butyrolactone 1.81
    1-methoxy-2-propanol 6.04
    pyridine 0.72
    3-pentanone 0.16
    furfural 1.78
    n-dodecane 0.0
    diethylene glycol 3.58
    diisopropyl ether 0.01
    tert-amyl alcohol 0.2
    acetylacetone 0.39
    n-hexadecane 0.0
    acetophenone 0.07
    methyl propionate 0.21
    isopentyl acetate 0.02
    trichloroethylene 0.06
    n-nonanol 0.17
    cyclohexanol 0.18
    benzyl alcohol 0.19
    2-ethylhexanol 0.02
    isooctanol 0.08
    dipropyl ether 0.09
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.22
    propylene carbonate 0.18
    n-methylformamide 4.23
    2-pentanol 0.11
    n-pentane 0.0
    1-propoxy-2-propanol 0.93
    1-methoxy-2-propyl acetate 0.16
    2-(2-methoxypropoxy) propanol 1.59
    mesitylene 0.01
    ε-caprolactone 0.52
    p-cymene 0.0
    epichlorohydrin 1.66
    1,1,1-trichloroethane 0.01
    2-aminoethanol 5.38
    morpholine-4-carbaldehyde 12.18
    sulfolane 6.55
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.63
    n-hexyl acetate 0.14
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.84
    sec-butyl acetate 0.02
    tert-butyl acetate 0.04
    decalin 0.0
    glycerin 17.99
    diglyme 4.9
    acrylic acid 1.39
    isopropyl myristate 0.04
    n-butyric acid 0.33
    acetyl acetate 0.03
    di(2-ethylhexyl) phthalate 0.08
    ethyl propionate 0.04
    nitromethane 3.1
    1,2-diethoxyethane 0.39
    benzonitrile 0.04
    trioctyl phosphate 0.06
    1-bromopropane 0.02
    gamma-valerolactone 11.61
    n-decanol 0.1
    triethyl phosphate 0.03
    4-methyl-2-pentanol 0.03
    propionitrile 0.09
    vinylene carbonate 0.18
    1,1,2-trichlorotrifluoroethane 3.16
    DMS 0.09
    cumene 0.0
    2-octanol 0.08
    2-hexanone 0.13
    octyl acetate 0.09
    limonene 0.01
    1,2-dimethoxyethane 3.85
    ethyl orthosilicate 0.03
    tributyl phosphate 0.05
    diacetone alcohol 0.51
    N,N-dimethylaniline 0.04
    acrylonitrile 0.19
    aniline 0.12
    1,3-propanediol 4.33
    bromobenzene 0.0
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.06
    2-methyl-cyclohexyl acetate 0.03
    tetrabutyl urea 0.18
    diisobutyl methanol 0.01
    2-phenylethanol 0.06
    styrene 0.01
    dioctyl adipate 0.13
    dimethyl sulfate 0.7
    ethyl butyrate 0.04
    methyl lactate 1.09
    butyl lactate 0.34
    diethyl carbonate 0.02
    propanediol butyl ether 2.78
    triethyl orthoformate 0.07
    p-tert-butyltoluene 0.0
    methyl 4-tert-butylbenzoate 0.23
    morpholine 5.13
    tert-butylamine 0.04
    n-dodecanol 0.06
    dimethoxymethane 3.4
    ethylene carbonate 0.12
    cyrene 2.02
    2-ethoxyethyl acetate 0.33
    2-ethylhexyl acetate 0.02
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.2
    dibutyl ether 0.09
    2,6-dimethyl-4-heptanol 0.01
    DEF 0.49
    dimethyl isosorbide 1.26
    tetrachloroethylene 0.04
    eugenol 0.4
    triacetin 0.31
    span 80 1.28
    1,4-butanediol 1.28
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.09
    methyl formate 2.27
    2-methyl-1-butanol 0.2
    n-decane 0.0
    butyronitrile 0.06
    3,7-dimethyl-1-octanol 0.05
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.57
    tetrahydropyran 0.53
    tert-amyl methyl ether 0.08
    2,5,8-trioxanonane 3.5
    1-hexene 0.01
    2-isopropoxyethanol 1.34
    2,2,2-trifluoroethanol 0.63
    methyl butyrate 0.09

    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