7,4'-Dihydroxyflavone

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  • Identifiers

    CAS number
    2196-14-7

    Molecular formula
    C15H10O4

    SMILES
    C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 70.64%
    Medicinal 38.69%
    Burnt 38.2%
    Sweet 35.58%
    Nutty 35.39%
    Odorless 30.74%
    Bitter 27.85%
    Smoky 27.77%
    Vanilla 27.68%
    Animal 26.83%

     

    Flavor
    Bitter 94.16%
    Very strong 21.18%
    Indole 20.81%
    Nitrile 20.21%
    Moth ball 20.06%
    Lovage 19.84%
    Naphthelene 19.74%
    Cedarleaf 19.63%
    Curry 19.55%
    Rotten 19.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    9.02 (weak base)

    Molecular weight
    254.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    534°C

    Flash point

    • 210.57 ˚C est.

  • Synonyms

    • 7,4'-Dihydroxyflavone
    • 4',7-Dihydroxyflavone
    • 2196-14-7
    • 7-Hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
    • 4H-1-Benzopyran-4-one, 7-hydroxy-2-(4-hydroxyphenyl)-
    • FLAVONE, 4',7-DIHYDROXY-
    • 53ZZF57X0U
    • CHEBI:29503
    • DTXSID50176365
    • RefChem:25870
    • DTXCID9098856
    • 7,4'-DHF
    • 805-431-5
    • 7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • KUMATAKENIN B
    • MFCD00017694
    • CHEMBL294878
    • 4'-dihydroxyflavone
    • BRN 0224356
    • 7, 4'-Dihydroxyflavone
    • 7,4''-Dihydroxyflavone
    • Spectrum4_001280
    • 7,4'-di-hydroxylflavone
    • C12123
    • UNII-53ZZF57X0U
    • KBioGR_001900
    • SCHEMBL157723
    • SPECTRUM1500721
    • 7-4'-DIHYDROXYFLAVONE
    • orb1297492
    • SCHEMBL31167385
    • 7,4'-DIHYDROXYL FLAVONE
    • DIHYDROXYFLAVONE, 4',7-
    • HY-N2609
    • BDBM50077323
    • LMPK12110035
    • AKOS016012973
    • CCG-231475
    • EBC-470089
    • FD67740
    • MB00287
    • NCGC00096029-01
    • NCGC00096029-02
    • MS-23576
    • PD001614
    • ST081389
    • DB-045734
    • CS-0023012
    • D85187
    • AN-308/21259004
    • SR-05000002501
    • 7-Hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one #
    • SR-05000002501-1
    • BRD-K50384076-001-01-9
    • Q15410218
    • 7-HYDROXY-2-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
    • 2196-14-7

  • Applications

    7,4'-Dihydroxyflavone (CAS 2196-14-7) is primarily used as an intermediate in the synthesis of flavonoid-derived compounds for pharmaceutical and agrochemical research. It is commonly explored as a starting point for preparing flavonoid derivatives with potential biological activity. In cosmetics and personal care, the compound may be utilized as a precursor to antioxidant-active flavonoid derivatives or stabilizers after functionalization, within regulated formulations. It also serves as a building block for functionalized flavonoid-containing polymers and coating formulations intended to impart antioxidant properties and altered material performance. Additionally, it is used as a reference compound in analytical method development and validation for flavonoids.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.13
    methanol 1.14
    isopropanol 1.39
    water 0.01
    ethyl acetate 0.9
    n-propanol 1.5
    acetone 2.61
    n-butanol 1.37
    acetonitrile 1.34
    DMF 18.45
    toluene 0.11
    isobutanol 1.01
    1,4-dioxane 13.17
    methyl acetate 2.79
    THF 32.79
    2-butanone 4.16
    n-pentanol 1.27
    sec-butanol 1.7
    n-hexane 0.0
    ethylene glycol 6.23
    NMP 7.51
    cyclohexane 0.0
    DMSO 157.87
    n-butyl acetate 1.88
    n-octanol 0.65
    chloroform 0.0
    n-propyl acetate 2.11
    acetic acid 4.66
    dichloromethane 0.01
    cyclohexanone 4.0
    propylene glycol 9.59
    isopropyl acetate 1.37
    DMAc 35.57
    2-ethoxyethanol 21.03
    isopentanol 1.91
    n-heptane 0.01
    ethyl formate 1.26
    1,2-dichloroethane 0.05
    n-hexanol 0.6
    2-methoxyethanol 43.26
    isobutyl acetate 1.64
    tetrachloromethane 0.0
    n-pentyl acetate 1.85
    transcutol 274.42
    n-heptanol 0.81
    ethylbenzene 0.1
    MIBK 2.25
    2-propoxyethanol 17.85
    tert-butanol 2.67
    MTBE 1.18
    2-butoxyethanol 9.53
    propionic acid 3.03
    o-xylene 0.12
    formic acid 4.21
    diethyl ether 0.35
    m-xylene 0.11
    p-xylene 0.16
    chlorobenzene 0.08
    dimethyl carbonate 2.45
    n-octane 0.01
    formamide 12.72
    cyclopentanone 8.22
    2-pentanone 1.55
    anisole 2.2
    cyclopentyl methyl ether 1.62
    gamma-butyrolactone 11.95
    1-methoxy-2-propanol 28.11
    pyridine 3.44
    3-pentanone 0.8
    furfural 13.35
    n-dodecane 0.02
    diethylene glycol 28.14
    diisopropyl ether 0.16
    tert-amyl alcohol 2.36
    acetylacetone 7.29
    n-hexadecane 0.02
    acetophenone 2.72
    methyl propionate 1.69
    isopentyl acetate 2.9
    trichloroethylene 0.11
    n-nonanol 0.9
    cyclohexanol 1.02
    benzyl alcohol 2.85
    2-ethylhexanol 0.72
    isooctanol 0.96
    dipropyl ether 1.05
    1,2-dichlorobenzene 0.13
    ethyl lactate 4.52
    propylene carbonate 3.41
    n-methylformamide 6.6
    2-pentanol 0.76
    n-pentane 0.0
    1-propoxy-2-propanol 11.91
    1-methoxy-2-propyl acetate 9.18
    2-(2-methoxypropoxy) propanol 24.24
    mesitylene 0.1
    ε-caprolactone 5.24
    p-cymene 0.26
    epichlorohydrin 14.43
    1,1,1-trichloroethane 0.02
    2-aminoethanol 7.28
    morpholine-4-carbaldehyde 34.02
    sulfolane 24.26
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 4.71
    n-hexyl acetate 2.42
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 36.42
    sec-butyl acetate 1.68
    tert-butyl acetate 3.33
    decalin 0.01
    glycerin 30.03
    diglyme 69.52
    acrylic acid 4.28
    isopropyl myristate 1.68
    n-butyric acid 2.54
    acetyl acetate 1.39
    di(2-ethylhexyl) phthalate 2.74
    ethyl propionate 1.51
    nitromethane 16.26
    1,2-diethoxyethane 17.04
    benzonitrile 1.49
    trioctyl phosphate 1.4
    1-bromopropane 0.02
    gamma-valerolactone 34.42
    n-decanol 0.77
    triethyl phosphate 2.42
    4-methyl-2-pentanol 0.89
    propionitrile 1.03
    vinylene carbonate 2.87
    1,1,2-trichlorotrifluoroethane 14.13
    DMS 4.72
    cumene 0.12
    2-octanol 0.48
    2-hexanone 2.59
    octyl acetate 1.81
    limonene 0.28
    1,2-dimethoxyethane 33.86
    ethyl orthosilicate 2.17
    tributyl phosphate 2.13
    diacetone alcohol 12.11
    N,N-dimethylaniline 1.44
    acrylonitrile 2.46
    aniline 0.97
    1,3-propanediol 11.25
    bromobenzene 0.04
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.14
    2-methyl-cyclohexyl acetate 2.93
    tetrabutyl urea 3.31
    diisobutyl methanol 0.97
    2-phenylethanol 2.37
    styrene 0.11
    dioctyl adipate 4.29
    dimethyl sulfate 6.56
    ethyl butyrate 2.07
    methyl lactate 7.89
    butyl lactate 4.61
    diethyl carbonate 1.76
    propanediol butyl ether 12.79
    triethyl orthoformate 3.51
    p-tert-butyltoluene 0.28
    methyl 4-tert-butylbenzoate 6.06
    morpholine 20.68
    tert-butylamine 0.49
    n-dodecanol 0.63
    dimethoxymethane 13.0
    ethylene carbonate 1.96
    cyrene 15.51
    2-ethoxyethyl acetate 8.33
    2-ethylhexyl acetate 1.85
    1,2,4-trichlorobenzene 0.34
    4-methylpyridine 1.87
    dibutyl ether 1.81
    2,6-dimethyl-4-heptanol 0.97
    DEF 3.64
    dimethyl isosorbide 32.6
    tetrachloroethylene 0.06
    eugenol 8.72
    triacetin 9.61
    span 80 11.22
    1,4-butanediol 3.78
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 1.76
    methyl formate 4.55
    2-methyl-1-butanol 1.56
    n-decane 0.02
    butyronitrile 0.88
    3,7-dimethyl-1-octanol 1.22
    1-chlorooctane 0.12
    1-chlorotetradecane 0.11
    n-nonane 0.01
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 1.7
    tetrahydropyran 1.8
    tert-amyl methyl ether 1.33
    2,5,8-trioxanonane 50.46
    1-hexene 0.02
    2-isopropoxyethanol 11.9
    2,2,2-trifluoroethanol 1.77
    methyl butyrate 2.35

    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