3-((6-O-((2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

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  • Identifiers

    CAS number
    190328-43-9

    Molecular formula
    C30H26O14

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 77.77%
    Phenolic 30.96%
    Vanilla 24.33%
    Savory 23.3%
    Burnt 23.02%
    Milky 20.26%
    Balsamic 19.85%
    Spicy 19.7%
    Bitter 18.69%
    Smoky 17.25%

     

    Flavor
    Bitter 90.17%
    Odorless 37.05%
    Bland 33.2%
    Sweet-like 23.75%
    Cedarleaf 19.89%
    Lovage 19.53%
    Very mild 19.5%
    Parsley 19.42%
    Nitrile 19.01%
    Ethyl benzoate 18.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.98 (weak base)

    Molecular weight
    610.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4096°C

    Flash point

    • 324.27 ˚C est.

  • Synonyms

    • 190328-43-9
    • 3-((6-O-((2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
    • 3-[[6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
    • RefChem:273004
    • CHEMBL2071308
    • kaempferol-3-O-caffeoylglucoside
    • DTXSID501101359
    • 3-[[6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]-I(2)-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
    • 190328-43-9

  • Applications

    Chemical name: 3-((6-O-((2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; CAS number: 190328-43-9 is a naturally derived flavonoid glycoside that can serve as an intermediate in the synthesis of flavonoid derivatives and as an antioxidant in formulations. Potential applications include cosmetics/personal care as an antioxidant and formulation stabilizer, in pharmaceuticals as an intermediate for bioactive flavonoids, in food processing or nutraceuticals as a natural antioxidant or functional ingredient, in polymers/plastics and coatings as a stabilizing antioxidant additive, and in agricultural formulations as a bioactive component evaluated for crop protection or plant health support.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 44.8
    methanol 34.59
    isopropanol 22.63
    water 0.11
    ethyl acetate 2.68
    n-propanol 36.29
    acetone 35.09
    n-butanol 10.6
    acetonitrile 2.48
    DMF 124.45
    toluene 0.4
    isobutanol 7.9
    1,4-dioxane 41.4
    methyl acetate 9.01
    THF 144.7
    2-butanone 25.93
    n-pentanol 4.98
    sec-butanol 15.14
    n-hexane 0.02
    ethylene glycol 46.39
    NMP 88.43
    cyclohexane 0.05
    DMSO 392.73
    n-butyl acetate 0.65
    n-octanol 1.68
    chloroform 0.42
    n-propyl acetate 1.24
    acetic acid 68.62
    dichloromethane 0.71
    cyclohexanone 15.51
    propylene glycol 78.35
    isopropyl acetate 1.15
    DMAc 120.49
    2-ethoxyethanol 56.76
    isopentanol 2.74
    n-heptane 0.04
    ethyl formate 5.44
    1,2-dichloroethane 1.07
    n-hexanol 1.22
    2-methoxyethanol 166.65
    isobutyl acetate 0.31
    tetrachloromethane 0.05
    n-pentyl acetate 1.49
    transcutol 42.34
    n-heptanol 1.6
    ethylbenzene 0.09
    MIBK 1.26
    2-propoxyethanol 20.42
    tert-butanol 6.79
    MTBE 2.0
    2-butoxyethanol 11.84
    propionic acid 20.84
    o-xylene 0.17
    formic acid 59.13
    diethyl ether 3.69
    m-xylene 0.13
    p-xylene 0.09
    chlorobenzene 0.12
    dimethyl carbonate 4.81
    n-octane 0.03
    formamide 67.41
    cyclopentanone 52.64
    2-pentanone 7.66
    anisole 0.82
    cyclopentyl methyl ether 4.96
    gamma-butyrolactone 48.66
    1-methoxy-2-propanol 78.47
    pyridine 14.78
    3-pentanone 4.08
    furfural 21.59
    n-dodecane 0.02
    diethylene glycol 28.82
    diisopropyl ether 0.18
    tert-amyl alcohol 5.29
    acetylacetone 9.4
    n-hexadecane 0.02
    acetophenone 1.04
    methyl propionate 7.02
    isopentyl acetate 0.4
    trichloroethylene 1.5
    n-nonanol 1.72
    cyclohexanol 4.1
    benzyl alcohol 2.51
    2-ethylhexanol 0.32
    isooctanol 0.78
    dipropyl ether 1.22
    1,2-dichlorobenzene 0.06
    ethyl lactate 2.7
    propylene carbonate 4.52
    n-methylformamide 59.25
    2-pentanol 3.22
    n-pentane 0.05
    1-propoxy-2-propanol 9.8
    1-methoxy-2-propyl acetate 2.62
    2-(2-methoxypropoxy) propanol 8.17
    mesitylene 0.05
    ε-caprolactone 13.27
    p-cymene 0.05
    epichlorohydrin 34.91
    1,1,1-trichloroethane 0.15
    2-aminoethanol 67.15
    morpholine-4-carbaldehyde 86.27
    sulfolane 86.01
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 18.96
    n-hexyl acetate 1.63
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 15.97
    sec-butyl acetate 0.46
    tert-butyl acetate 1.01
    decalin 0.01
    glycerin 117.99
    diglyme 24.06
    acrylic acid 24.89
    isopropyl myristate 0.47
    n-butyric acid 9.36
    acetyl acetate 1.0
    di(2-ethylhexyl) phthalate 0.59
    ethyl propionate 0.96
    nitromethane 66.26
    1,2-diethoxyethane 4.64
    benzonitrile 0.56
    trioctyl phosphate 0.56
    1-bromopropane 0.48
    gamma-valerolactone 118.44
    n-decanol 1.13
    triethyl phosphate 0.27
    4-methyl-2-pentanol 0.55
    propionitrile 2.22
    vinylene carbonate 3.53
    1,1,2-trichlorotrifluoroethane 33.34
    DMS 1.26
    cumene 0.04
    2-octanol 0.86
    2-hexanone 2.57
    octyl acetate 1.1
    limonene 0.1
    1,2-dimethoxyethane 33.5
    ethyl orthosilicate 0.27
    tributyl phosphate 0.46
    diacetone alcohol 8.42
    N,N-dimethylaniline 0.46
    acrylonitrile 4.32
    aniline 2.29
    1,3-propanediol 62.4
    bromobenzene 0.06
    dibromomethane 0.32
    1,1,2,2-tetrachloroethane 1.44
    2-methyl-cyclohexyl acetate 0.38
    tetrabutyl urea 1.38
    diisobutyl methanol 0.15
    2-phenylethanol 0.86
    styrene 0.11
    dioctyl adipate 1.17
    dimethyl sulfate 10.19
    ethyl butyrate 0.59
    methyl lactate 15.34
    butyl lactate 3.0
    diethyl carbonate 0.29
    propanediol butyl ether 16.55
    triethyl orthoformate 0.71
    p-tert-butyltoluene 0.05
    methyl 4-tert-butylbenzoate 1.59
    morpholine 87.3
    tert-butylamine 1.08
    n-dodecanol 0.68
    dimethoxymethane 47.72
    ethylene carbonate 2.65
    cyrene 11.97
    2-ethoxyethyl acetate 4.1
    2-ethylhexyl acetate 0.24
    1,2,4-trichlorobenzene 0.16
    4-methylpyridine 4.02
    dibutyl ether 0.96
    2,6-dimethyl-4-heptanol 0.15
    DEF 10.5
    dimethyl isosorbide 6.8
    tetrachloroethylene 0.73
    eugenol 2.15
    triacetin 2.66
    span 80 8.46
    1,4-butanediol 15.51
    1,1-dichloroethane 0.47
    2-methyl-1-pentanol 1.47
    methyl formate 34.16
    2-methyl-1-butanol 3.9
    n-decane 0.05
    butyronitrile 1.43
    3,7-dimethyl-1-octanol 0.59
    1-chlorooctane 0.2
    1-chlorotetradecane 0.07
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 16.92
    tetrahydropyran 16.46
    tert-amyl methyl ether 1.54
    2,5,8-trioxanonane 16.58
    1-hexene 0.14
    2-isopropoxyethanol 15.82
    2,2,2-trifluoroethanol 12.66
    methyl butyrate 1.75

    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