3,7-Dihydroxyflavone

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  • Identifiers

    CAS number
    492-00-2

    Molecular formula
    C15H10O4

    SMILES
    C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 56.66%
    Burnt 41.14%
    Odorless 38.59%
    Fruity 36.59%
    Medicinal 26.68%
    Bitter 24.96%
    Balsamic 24.05%
    Smoky 23.65%
    Spicy 23.29%
    Vanilla 22.99%

     

    Flavor
    Bitter 95.34%
    Very strong 20.7%
    Indole 20.24%
    Nitrile 19.97%
    Lovage 19.88%
    Cedarleaf 19.76%
    Moth ball 19.48%
    Curry 19.33%
    Sweet-like 19.32%
    Naphthelene 19.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    9.31 (weak base)

    Molecular weight
    254.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    628°C

    Flash point

    • 193.31 ˚C est.

  • Synonyms

    • 3,7-dihydroxyflavone
    • 492-00-2
    • 7-Hydroxyflavonol
    • 5-Deoxygalangin
    • 3,7-dihydroxy-2-phenylchromen-4-one
    • 4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-phenyl-
    • 3,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one
    • O948D0K9BQ
    • 3,7-dihydroxy-flavone
    • RefChem:910778
    • CHEBI:52267
    • 3,7-dihydroxy-2-phenyl-4H-chromen-4-one
    • 7,3-dihydroxyflavone
    • Resogalangin
    • 3,7-dihydroxy-2-phenyl-chromen-4-one
    • CHEMBL210276
    • MFCD00016790
    • 7,3'-dihydroxyflavonol
    • SR-01000314616
    • SPBio_001803
    • 7-Hydroxyflavanol
    • Spectrum_001462
    • SpecPlus_000778
    • Spectrum2_001652
    • Spectrum3_001623
    • Spectrum4_001767
    • Spectrum5_000353
    • UNII-O948D0K9BQ
    • Oprea1_793720
    • BSPBio_003285
    • KBioGR_002253
    • KBioSS_001942
    • DivK1c_006874
    • SPECTRUM1504130
    • orb1685409
    • SCHEMBL2396684
    • 7,3/'-DIHYDROXYFLAVONE
    • SCHEMBL29625323
    • BDBM26660
    • KBio1_001818
    • KBio2_001942
    • KBio2_004510
    • KBio2_007078
    • KBio3_002505
    • DTXSID80197705
    • CHEBI:109535
    • UWQJWDYDYIJWKY-UHFFFAOYSA-N
    • CCG-38768
    • LMPK12111545
    • AKOS000600301
    • 3,7-Dihydroxyflavone; 5-Deoxygalangin
    • EBC-469144
    • FD66161
    • SDCCGMLS-0066816.P001
    • NCGC00095686-01
    • NCGC00095686-02
    • NCGC00178162-01
    • PD001272
    • ST092291
    • DB-022136
    • DB-350680
    • CS-0137284
    • NS00116344
    • A827674
    • SR-01000314616-1
    • SR-01000314616-2
    • BRD-K35133923-001-02-3
    • BRD-K35133923-001-03-1
    • Q27188682
    • HHF
    • 492-00-2

  • Applications

    3,7-Dihydroxyflavone (CAS 492-00-2) is commonly used as an intermediate and building block for the synthesis of flavonoid derivatives in pharmaceutical research, providing a core scaffold for developing related compounds. Its antioxidant properties lead to evaluations in cosmetics and personal care as an antioxidant and stabilizer in formulations, and it is studied as an antioxidant additive for polymers, plastics, coatings, paints, and inks. It can also serve as a starting point for polymer/plastic applications to improve oxidative and photostability of material systems. In research contexts, it is often used as a molecular scaffold to design flavonoid derivatives for biological activity screening, with practical use constrained by regulatory and formulation considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.43
    methanol 1.85
    isopropanol 2.19
    water 0.0
    ethyl acetate 2.5
    n-propanol 2.83
    acetone 5.75
    n-butanol 2.72
    acetonitrile 1.07
    DMF 32.6
    toluene 1.7
    isobutanol 2.06
    1,4-dioxane 9.46
    methyl acetate 4.09
    THF 49.41
    2-butanone 9.03
    n-pentanol 2.25
    sec-butanol 2.98
    n-hexane 0.01
    ethylene glycol 1.68
    NMP 20.94
    cyclohexane 0.02
    DMSO 54.03
    n-butyl acetate 4.12
    n-octanol 2.83
    chloroform 0.05
    n-propyl acetate 3.49
    acetic acid 4.18
    dichloromethane 0.21
    cyclohexanone 11.57
    propylene glycol 2.22
    isopropyl acetate 3.58
    DMAc 45.29
    2-ethoxyethanol 8.99
    isopentanol 3.78
    n-heptane 0.05
    ethyl formate 2.09
    1,2-dichloroethane 1.03
    n-hexanol 3.31
    2-methoxyethanol 22.16
    isobutyl acetate 2.31
    tetrachloromethane 0.02
    n-pentyl acetate 5.24
    transcutol 82.43
    n-heptanol 3.24
    ethylbenzene 0.98
    MIBK 5.57
    2-propoxyethanol 14.19
    tert-butanol 4.54
    MTBE 3.43
    2-butoxyethanol 10.91
    propionic acid 2.88
    o-xylene 1.39
    formic acid 2.14
    diethyl ether 1.73
    m-xylene 1.16
    p-xylene 1.08
    chlorobenzene 0.75
    dimethyl carbonate 3.85
    n-octane 0.04
    formamide 6.46
    cyclopentanone 20.13
    2-pentanone 5.44
    anisole 4.21
    cyclopentyl methyl ether 8.13
    gamma-butyrolactone 17.23
    1-methoxy-2-propanol 17.45
    pyridine 11.55
    3-pentanone 3.27
    furfural 15.48
    n-dodecane 0.11
    diethylene glycol 13.34
    diisopropyl ether 0.73
    tert-amyl alcohol 5.18
    acetylacetone 10.17
    n-hexadecane 0.14
    acetophenone 6.09
    methyl propionate 3.83
    isopentyl acetate 5.46
    trichloroethylene 1.97
    n-nonanol 3.44
    cyclohexanol 3.5
    benzyl alcohol 5.09
    2-ethylhexanol 2.86
    isooctanol 3.16
    dipropyl ether 2.63
    1,2-dichlorobenzene 0.86
    ethyl lactate 4.35
    propylene carbonate 5.38
    n-methylformamide 6.37
    2-pentanol 2.28
    n-pentane 0.01
    1-propoxy-2-propanol 11.58
    1-methoxy-2-propyl acetate 11.16
    2-(2-methoxypropoxy) propanol 16.4
    mesitylene 0.65
    ε-caprolactone 9.95
    p-cymene 1.54
    epichlorohydrin 24.79
    1,1,1-trichloroethane 0.25
    2-aminoethanol 3.01
    morpholine-4-carbaldehyde 25.19
    sulfolane 27.89
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 11.69
    n-hexyl acetate 7.01
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 23.16
    sec-butyl acetate 2.9
    tert-butyl acetate 6.44
    decalin 0.07
    glycerin 7.83
    diglyme 43.61
    acrylic acid 3.63
    isopropyl myristate 3.36
    n-butyric acid 3.67
    acetyl acetate 2.11
    di(2-ethylhexyl) phthalate 3.72
    ethyl propionate 3.14
    nitromethane 9.18
    1,2-diethoxyethane 12.4
    benzonitrile 3.82
    trioctyl phosphate 2.67
    1-bromopropane 0.35
    gamma-valerolactone 28.52
    n-decanol 2.66
    triethyl phosphate 3.06
    4-methyl-2-pentanol 2.47
    propionitrile 2.04
    vinylene carbonate 4.45
    1,1,2-trichlorotrifluoroethane 14.31
    DMS 7.11
    cumene 0.82
    2-octanol 2.37
    2-hexanone 5.47
    octyl acetate 4.05
    limonene 1.94
    1,2-dimethoxyethane 21.74
    ethyl orthosilicate 2.97
    tributyl phosphate 3.2
    diacetone alcohol 16.43
    N,N-dimethylaniline 3.41
    acrylonitrile 4.08
    aniline 4.51
    1,3-propanediol 6.5
    bromobenzene 0.45
    dibromomethane 0.09
    1,1,2,2-tetrachloroethane 1.61
    2-methyl-cyclohexyl acetate 4.25
    tetrabutyl urea 5.26
    diisobutyl methanol 2.65
    2-phenylethanol 6.94
    styrene 0.95
    dioctyl adipate 5.09
    dimethyl sulfate 8.77
    ethyl butyrate 3.63
    methyl lactate 7.12
    butyl lactate 6.71
    diethyl carbonate 2.34
    propanediol butyl ether 10.93
    triethyl orthoformate 4.1
    p-tert-butyltoluene 1.51
    methyl 4-tert-butylbenzoate 9.15
    morpholine 17.16
    tert-butylamine 1.62
    n-dodecanol 2.01
    dimethoxymethane 17.28
    ethylene carbonate 3.04
    cyrene 11.34
    2-ethoxyethyl acetate 10.5
    2-ethylhexyl acetate 3.69
    1,2,4-trichlorobenzene 1.79
    4-methylpyridine 7.95
    dibutyl ether 4.12
    2,6-dimethyl-4-heptanol 2.65
    DEF 9.71
    dimethyl isosorbide 23.96
    tetrachloroethylene 0.87
    eugenol 10.31
    triacetin 8.77
    span 80 10.41
    1,4-butanediol 1.58
    1,1-dichloroethane 0.22
    2-methyl-1-pentanol 3.66
    methyl formate 4.35
    2-methyl-1-butanol 3.31
    n-decane 0.17
    butyronitrile 2.05
    3,7-dimethyl-1-octanol 3.6
    1-chlorooctane 1.14
    1-chlorotetradecane 0.52
    n-nonane 0.1
    undecane 0.14
    tert-butylcyclohexane 0.09
    cyclooctane 0.01
    cyclopentanol 3.88
    tetrahydropyran 6.44
    tert-amyl methyl ether 4.01
    2,5,8-trioxanonane 29.72
    1-hexene 0.15
    2-isopropoxyethanol 7.08
    2,2,2-trifluoroethanol 1.37
    methyl butyrate 4.64

    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