2-(4-Hydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4-(4-hydroxystyryl)benzofuran-6-ol

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  • Identifiers

    CAS number
    223591-26-2

    Molecular formula
    C28H20O6

    SMILES
    C1=CC(=CC=C1/C=C/C2=C3C(=CC(=C2)O)OC(=C3C4=CC(=CC(=C4)O)O)C5=CC=C(C=C5)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 59.0%
    Fruity 39.6%
    Odorless 34.12%
    Burnt 28.91%
    Spicy 28.52%
    Medicinal 27.99%
    Animal 26.53%
    Smoky 23.75%
    Balsamic 21.65%
    Woody 21.58%

     

    Flavor
    Bitter 96.13%
    Odorless 21.24%
    Very strong 20.71%
    Nitrile 20.19%
    Indole 20.05%
    Cedarleaf 19.63%
    Sweet-like 19.05%
    Moth ball 18.76%
    Parsley 18.64%
    Lovage 18.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    9.6 (weak base)

    Molecular weight
    452.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2029°C

    Flash point

    • 321.67 ˚C est.

  • Synonyms

    • CHEMBL5591362
    • 5-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-3-yl]benzene-1,3-diol
    • 5-{6-Hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-3-yl}benzene-1,3-diol
    • 2-(4-Hydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4-(4-hydroxystyryl)benzofuran-6-ol
    • SCHEMBL29657650
    • DTXSID101113861
    • 223591-26-2
    • 5-[6-Hydroxy-2-(4-hydroxyphenyl)-4-[(1E)-2-(4-hydroxyphenyl)ethenyl]-3-benzofuranyl]-1,3-benzenediol
    • 223591-26-2

  • Applications

    2-(4-Hydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4-(4-hydroxystyryl)benzofuran-6-ol (CAS 223591-26-2) is a polyphenolic benzofuran compound commonly used as an organic intermediate and building block in specialty chemistry. In industrial manufacturing, it can serve as a precursor for dyes and pigments and as a crosslinkable or UV-absorbing component in coatings and inks. Its multiple phenolic OH groups confer potential antioxidant properties, making it of interest as a polymer additive or cosmetic formulation ingredient (subject to local regulations and formulation limits). The conjugated 4-hydroxystyryl moiety enables photoactive or electrochromic behavior, supporting exploration in electronics or optoelectronic applications. In pharmaceutical development, it may be evaluated as a synthetic intermediate for small-molecule drugs.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.07
    methanol 1.23
    isopropanol 0.5
    water 0.01
    ethyl acetate 0.59
    n-propanol 1.22
    acetone 0.74
    n-butanol 0.88
    acetonitrile 0.23
    DMF 9.92
    toluene 0.04
    isobutanol 0.45
    1,4-dioxane 2.14
    methyl acetate 1.03
    THF 8.33
    2-butanone 2.1
    n-pentanol 0.46
    sec-butanol 0.94
    n-hexane 0.0
    ethylene glycol 1.25
    NMP 5.16
    cyclohexane 0.0
    DMSO 23.51
    n-butyl acetate 0.41
    n-octanol 0.31
    chloroform 0.06
    n-propyl acetate 0.38
    acetic acid 2.8
    dichloromethane 0.03
    cyclohexanone 1.38
    propylene glycol 4.28
    isopropyl acetate 0.36
    DMAc 15.5
    2-ethoxyethanol 6.18
    isopentanol 0.46
    n-heptane 0.0
    ethyl formate 0.72
    1,2-dichloroethane 0.06
    n-hexanol 0.22
    2-methoxyethanol 18.25
    isobutyl acetate 0.17
    tetrachloromethane 0.01
    n-pentyl acetate 0.56
    transcutol 21.26
    n-heptanol 0.34
    ethylbenzene 0.02
    MIBK 0.35
    2-propoxyethanol 6.13
    tert-butanol 0.31
    MTBE 0.27
    2-butoxyethanol 3.97
    propionic acid 2.04
    o-xylene 0.03
    formic acid 2.29
    diethyl ether 0.26
    m-xylene 0.03
    p-xylene 0.02
    chlorobenzene 0.03
    dimethyl carbonate 1.01
    n-octane 0.0
    formamide 3.91
    cyclopentanone 3.48
    2-pentanone 0.86
    anisole 0.31
    cyclopentyl methyl ether 0.5
    gamma-butyrolactone 3.94
    1-methoxy-2-propanol 13.29
    pyridine 1.46
    3-pentanone 0.58
    furfural 3.65
    n-dodecane 0.0
    diethylene glycol 5.75
    diisopropyl ether 0.03
    tert-amyl alcohol 0.65
    acetylacetone 1.58
    n-hexadecane 0.0
    acetophenone 0.41
    methyl propionate 1.21
    isopentyl acetate 0.4
    trichloroethylene 0.23
    n-nonanol 0.38
    cyclohexanol 0.34
    benzyl alcohol 0.52
    2-ethylhexanol 0.13
    isooctanol 0.24
    dipropyl ether 0.3
    1,2-dichlorobenzene 0.03
    ethyl lactate 1.2
    propylene carbonate 1.09
    n-methylformamide 3.62
    2-pentanol 0.35
    n-pentane 0.0
    1-propoxy-2-propanol 4.59
    1-methoxy-2-propyl acetate 2.39
    2-(2-methoxypropoxy) propanol 5.9
    mesitylene 0.01
    ε-caprolactone 1.99
    p-cymene 0.03
    epichlorohydrin 3.97
    1,1,1-trichloroethane 0.02
    2-aminoethanol 2.85
    morpholine-4-carbaldehyde 10.02
    sulfolane 9.91
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.31
    n-hexyl acetate 0.74
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 7.77
    sec-butyl acetate 0.26
    tert-butyl acetate 0.46
    decalin 0.0
    glycerin 11.8
    diglyme 11.63
    acrylic acid 2.45
    isopropyl myristate 0.31
    n-butyric acid 1.65
    acetyl acetate 0.32
    di(2-ethylhexyl) phthalate 0.62
    ethyl propionate 0.46
    nitromethane 5.17
    1,2-diethoxyethane 1.82
    benzonitrile 0.18
    trioctyl phosphate 0.37
    1-bromopropane 0.03
    gamma-valerolactone 13.14
    n-decanol 0.24
    triethyl phosphate 0.35
    4-methyl-2-pentanol 0.14
    propionitrile 0.36
    vinylene carbonate 0.93
    1,1,2-trichlorotrifluoroethane 9.99
    DMS 0.86
    cumene 0.02
    2-octanol 0.2
    2-hexanone 0.48
    octyl acetate 0.49
    limonene 0.04
    1,2-dimethoxyethane 6.15
    ethyl orthosilicate 0.33
    tributyl phosphate 0.4
    diacetone alcohol 2.34
    N,N-dimethylaniline 0.19
    acrylonitrile 0.77
    aniline 0.29
    1,3-propanediol 4.27
    bromobenzene 0.02
    dibromomethane 0.02
    1,1,2,2-tetrachloroethane 0.31
    2-methyl-cyclohexyl acetate 0.35
    tetrabutyl urea 0.72
    diisobutyl methanol 0.09
    2-phenylethanol 0.4
    styrene 0.03
    dioctyl adipate 0.91
    dimethyl sulfate 2.57
    ethyl butyrate 0.42
    methyl lactate 4.28
    butyl lactate 1.71
    diethyl carbonate 0.29
    propanediol butyl ether 5.24
    triethyl orthoformate 0.66
    p-tert-butyltoluene 0.03
    methyl 4-tert-butylbenzoate 1.29
    morpholine 5.3
    tert-butylamine 0.06
    n-dodecanol 0.15
    dimethoxymethane 5.22
    ethylene carbonate 0.62
    cyrene 4.17
    2-ethoxyethyl acetate 2.0
    2-ethylhexyl acetate 0.26
    1,2,4-trichlorobenzene 0.09
    4-methylpyridine 0.52
    dibutyl ether 0.32
    2,6-dimethyl-4-heptanol 0.09
    DEF 1.79
    dimethyl isosorbide 6.06
    tetrachloroethylene 0.15
    eugenol 1.96
    triacetin 2.06
    span 80 3.96
    1,4-butanediol 0.97
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.35
    methyl formate 2.18
    2-methyl-1-butanol 0.67
    n-decane 0.01
    butyronitrile 0.27
    3,7-dimethyl-1-octanol 0.24
    1-chlorooctane 0.04
    1-chlorotetradecane 0.02
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.65
    tetrahydropyran 0.73
    tert-amyl methyl ether 0.39
    2,5,8-trioxanonane 9.07
    1-hexene 0.02
    2-isopropoxyethanol 2.54
    2,2,2-trifluoroethanol 0.8
    methyl butyrate 0.63

    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