5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one

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  • Identifiers

    CAS number
    4323-80-2

    Molecular formula
    C17H14O7

    SMILES
    COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 65.84%
    Burnt 40.54%
    Smoky 40.45%
    Spicy 40.14%
    Odorless 35.63%
    Vanilla 33.73%
    Medicinal 31.24%
    Woody 28.66%
    Balsamic 28.47%
    Sweet 25.78%

     

    Flavor
    Bitter 82.48%
    Bland 23.33%
    Odorless 22.84%
    Eugenol 22.19%
    Parsley 21.72%
    Sweet-like 21.03%
    Ham 20.52%
    Cedarleaf 20.3%
    Allspice 20.15%
    Lovage 20.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.06 (weak base)

    Molecular weight
    330.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    973°C

    Melting point expt.

    • 277 - 279 °C

    Flash point

    • 227.5 ˚C est.

  • Synonyms

    • Demethoxysudachitin
    • 4323-80-2
    • 4',5,7-Trihydroxy-6,8-dimethoxyflavone
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxychromen-4-one
    • DTXSID20195801
    • 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one
    • RefChem:912992
    • DTXCID20118292
    • Desmethoxysudachitin
    • 5,7,4'-Trihydroxy-6,8-dimethoxyflavone
    • CHEMBL476120
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-chromen-4-one
    • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-
    • Desmethoxysudachin
    • SCHEMBL2180082
    • SCHEMBL30683238
    • CHEBI:174446
    • 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-chromen-4-one
    • BDBM50412280
    • LMPK12111444
    • FD177952
    • 5,7-Dihydroxy-2-(4-hydroxy-phenyl)-6,8-dimethoxy-chromen-4-one
    • 4323-80-2

  • Applications

    5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethoxy-4H-1-benzopyran-4-one (CAS 4323-80-2) has multiple cross-sector applications: in pharmaceuticals, it serves as a building block and scaffold for the synthesis of a range of derivatives to expand chemical libraries for drug research; in cosmetics and personal care, it is evaluated as an antioxidant ingredient and a basis for skincare formulations; in polymers and plastics, it can function as an antioxidant/UV stabilizer to improve material durability; in coatings and inks, it can act as a precursor to dyes/pigments for coatings and printing inks; in industrial manufacturing, it provides a useful starting material for the synthesis of flavonoid-like compounds and derivatives for various industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.09
    methanol 0.09
    isopropanol 0.12
    water 0.0
    ethyl acetate 0.23
    n-propanol 0.2
    acetone 0.14
    n-butanol 0.19
    acetonitrile 0.12
    DMF 2.96
    toluene 0.05
    isobutanol 0.17
    1,4-dioxane 0.91
    methyl acetate 0.34
    THF 4.38
    2-butanone 0.46
    n-pentanol 0.23
    sec-butanol 0.22
    n-hexane 0.01
    ethylene glycol 0.38
    NMP 11.71
    cyclohexane 0.01
    DMSO 11.37
    n-butyl acetate 0.48
    n-octanol 0.28
    chloroform 0.06
    n-propyl acetate 0.37
    acetic acid 0.68
    dichloromethane 0.11
    cyclohexanone 1.32
    propylene glycol 0.4
    isopropyl acetate 0.22
    DMAc 7.48
    2-ethoxyethanol 1.83
    isopentanol 0.24
    n-heptane 0.02
    ethyl formate 0.19
    1,2-dichloroethane 0.18
    n-hexanol 0.26
    2-methoxyethanol 3.44
    isobutyl acetate 0.29
    tetrachloromethane 0.01
    n-pentyl acetate 0.57
    transcutol 8.2
    n-heptanol 0.37
    ethylbenzene 0.06
    MIBK 0.27
    2-propoxyethanol 2.88
    tert-butanol 0.31
    MTBE 0.16
    2-butoxyethanol 2.06
    propionic acid 0.53
    o-xylene 0.08
    formic acid 0.65
    diethyl ether 0.1
    m-xylene 0.06
    p-xylene 0.09
    chlorobenzene 0.07
    dimethyl carbonate 0.66
    n-octane 0.01
    formamide 1.34
    cyclopentanone 2.7
    2-pentanone 0.24
    anisole 0.34
    cyclopentyl methyl ether 0.79
    gamma-butyrolactone 4.41
    1-methoxy-2-propanol 2.38
    pyridine 1.0
    3-pentanone 0.27
    furfural 4.05
    n-dodecane 0.01
    diethylene glycol 3.87
    diisopropyl ether 0.05
    tert-amyl alcohol 0.37
    acetylacetone 0.66
    n-hexadecane 0.02
    acetophenone 0.7
    methyl propionate 0.53
    isopentyl acetate 0.64
    trichloroethylene 0.4
    n-nonanol 0.36
    cyclohexanol 0.38
    benzyl alcohol 0.54
    2-ethylhexanol 0.3
    isooctanol 0.37
    dipropyl ether 0.38
    1,2-dichlorobenzene 0.13
    ethyl lactate 0.79
    propylene carbonate 1.18
    n-methylformamide 0.81
    2-pentanol 0.13
    n-pentane 0.0
    1-propoxy-2-propanol 1.97
    1-methoxy-2-propyl acetate 1.59
    2-(2-methoxypropoxy) propanol 3.24
    mesitylene 0.05
    ε-caprolactone 1.78
    p-cymene 0.17
    epichlorohydrin 3.71
    1,1,1-trichloroethane 0.05
    2-aminoethanol 0.55
    morpholine-4-carbaldehyde 7.86
    sulfolane 16.49
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.29
    n-hexyl acetate 0.65
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.64
    sec-butyl acetate 0.29
    tert-butyl acetate 0.49
    decalin 0.01
    glycerin 2.61
    diglyme 7.39
    acrylic acid 0.94
    isopropyl myristate 0.35
    n-butyric acid 0.43
    acetyl acetate 0.23
    di(2-ethylhexyl) phthalate 0.69
    ethyl propionate 0.44
    nitromethane 1.7
    1,2-diethoxyethane 1.07
    benzonitrile 0.35
    trioctyl phosphate 0.51
    1-bromopropane 0.06
    gamma-valerolactone 6.76
    n-decanol 0.28
    triethyl phosphate 0.8
    4-methyl-2-pentanol 0.13
    propionitrile 0.22
    vinylene carbonate 0.9
    1,1,2-trichlorotrifluoroethane 6.01
    DMS 1.08
    cumene 0.07
    2-octanol 0.23
    2-hexanone 0.46
    octyl acetate 0.46
    limonene 0.2
    1,2-dimethoxyethane 3.17
    ethyl orthosilicate 0.74
    tributyl phosphate 0.55
    diacetone alcohol 1.72
    N,N-dimethylaniline 0.45
    acrylonitrile 0.5
    aniline 0.27
    1,3-propanediol 0.86
    bromobenzene 0.05
    dibromomethane 0.05
    1,1,2,2-tetrachloroethane 0.44
    2-methyl-cyclohexyl acetate 0.89
    tetrabutyl urea 1.08
    diisobutyl methanol 0.24
    2-phenylethanol 0.69
    styrene 0.05
    dioctyl adipate 0.85
    dimethyl sulfate 2.99
    ethyl butyrate 0.58
    methyl lactate 1.35
    butyl lactate 1.02
    diethyl carbonate 0.51
    propanediol butyl ether 1.97
    triethyl orthoformate 0.92
    p-tert-butyltoluene 0.16
    methyl 4-tert-butylbenzoate 1.83
    morpholine 2.2
    tert-butylamine 0.11
    n-dodecanol 0.2
    dimethoxymethane 1.63
    ethylene carbonate 0.61
    cyrene 4.7
    2-ethoxyethyl acetate 1.29
    2-ethylhexyl acetate 0.51
    1,2,4-trichlorobenzene 0.3
    4-methylpyridine 0.5
    dibutyl ether 0.33
    2,6-dimethyl-4-heptanol 0.24
    DEF 1.01
    dimethyl isosorbide 6.85
    tetrachloroethylene 0.23
    eugenol 2.01
    triacetin 1.59
    span 80 2.05
    1,4-butanediol 0.33
    1,1-dichloroethane 0.04
    2-methyl-1-pentanol 0.32
    methyl formate 0.52
    2-methyl-1-butanol 0.26
    n-decane 0.02
    butyronitrile 0.14
    3,7-dimethyl-1-octanol 0.34
    1-chlorooctane 0.1
    1-chlorotetradecane 0.05
    n-nonane 0.01
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 0.62
    tetrahydropyran 0.46
    tert-amyl methyl ether 0.27
    2,5,8-trioxanonane 5.92
    1-hexene 0.03
    2-isopropoxyethanol 1.34
    2,2,2-trifluoroethanol 0.44
    methyl butyrate 0.56

    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