3,4',7-Trihydroxyflavone

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  • Identifiers

    CAS number
    2034-65-3

    Molecular formula
    C15H10O5

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 68.62%
    Odorless 42.68%
    Burnt 42.65%
    Medicinal 33.23%
    Smoky 29.11%
    Vanilla 25.65%
    Bitter 25.07%
    Fruity 24.5%
    Spicy 24.27%
    Balsamic 22.77%

     

    Flavor
    Bitter 95.61%
    Very strong 20.78%
    Indole 20.37%
    Sweet-like 20.13%
    Odorless 19.87%
    Nitrile 19.86%
    Cedarleaf 19.8%
    Lovage 19.62%
    Rotten 19.3%
    Curry 19.25%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.94 (weak base)

    Molecular weight
    270.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    694°C

    Melting point expt.

    • 310 °C

    Flash point

    • 224.61 ˚C est.

  • Synonyms

    • 3,7,4'-Trihydroxyflavone
    • 2034-65-3
    • 3,4',7-Trihydroxyflavone
    • 3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • 4H-1-Benzopyran-4-one, 3,7-dihydroxy-2-(4-hydroxyphenyl)-
    • 4',7-Dihydroxyflavonol
    • Flavone, 3,7,4'-trihydroxy-
    • 3,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
    • CDB76C6V7X
    • DTXSID90174249
    • RefChem:910562
    • DTXCID8096740
    • RESOKAEMPFEROL
    • 5-Deoxykaempferol
    • 3,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
    • 5-Deoxykampferol
    • 5-Dehydroxykaempferol
    • 3,7,4-trihydroxyflavone
    • MFCD00016939
    • Resokaempherol
    • 4',7-Dihydroxyflavanol; 3,4',7-Trihydroxyflavone; Resokaempferol
    • UNII-CDB76C6V7X
    • SCHEMBL344710
    • CHEMBL242383
    • orb1684268
    • SCHEMBL30873045
    • BDBM26657
    • CHEBI:196244
    • OBWHQJYOOCRPST-UHFFFAOYSA-N
    • TNP00041
    • LMPK12111552
    • AKOS024282395
    • EBC-606188
    • FT67599
    • NCGC00017177-01
    • NCGC00017177-02
    • NCGC00142439-01
    • DA-49519
    • MS-23817
    • ST056008
    • HY-111806
    • CS-0092579
    • NS00116302
    • G12064
    • Q63398249
    • Z2216897705
    • 3,7,4'-Trihydroxyflavone

  • Applications

    3,4',7-Trihydroxyflavone is commonly used as an intermediate in the synthesis of flavonoid derivatives and in flavonoid chemistry research; it may also be employed as an antioxidant additive in cosmetics and in polymer formulations to limit oxidation. It is also being evaluated as a potential UV-stabilizing component for coatings and inks in paint and printing applications, and serves as a starting point for pharmaceutical/biochemical studies and libraries of flavonoid-like compounds. Use depends on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.89
    methanol 1.51
    isopropanol 2.13
    water 0.0
    ethyl acetate 1.29
    n-propanol 2.89
    acetone 1.15
    n-butanol 3.17
    acetonitrile 0.33
    DMF 15.75
    toluene 0.15
    isobutanol 1.66
    1,4-dioxane 4.92
    methyl acetate 1.65
    THF 38.0
    2-butanone 5.14
    n-pentanol 1.92
    sec-butanol 4.44
    n-hexane 0.0
    ethylene glycol 1.57
    NMP 9.02
    cyclohexane 0.0
    DMSO 51.67
    n-butyl acetate 2.21
    n-octanol 1.83
    chloroform 0.0
    n-propyl acetate 1.7
    acetic acid 1.61
    dichloromethane 0.0
    cyclohexanone 5.12
    propylene glycol 2.34
    isopropyl acetate 1.86
    DMAc 32.99
    2-ethoxyethanol 12.94
    isopentanol 3.33
    n-heptane 0.01
    ethyl formate 0.84
    1,2-dichloroethane 0.02
    n-hexanol 1.93
    2-methoxyethanol 32.1
    isobutyl acetate 0.75
    tetrachloromethane 0.0
    n-pentyl acetate 2.78
    transcutol 61.05
    n-heptanol 2.15
    ethylbenzene 0.15
    MIBK 2.74
    2-propoxyethanol 15.82
    tert-butanol 4.0
    MTBE 2.32
    2-butoxyethanol 9.83
    propionic acid 1.61
    o-xylene 0.21
    formic acid 1.52
    diethyl ether 0.82
    m-xylene 0.16
    p-xylene 0.15
    chlorobenzene 0.03
    dimethyl carbonate 1.41
    n-octane 0.01
    formamide 4.85
    cyclopentanone 9.44
    2-pentanone 3.26
    anisole 1.46
    cyclopentyl methyl ether 3.43
    gamma-butyrolactone 8.0
    1-methoxy-2-propanol 24.78
    pyridine 2.71
    3-pentanone 1.39
    furfural 5.73
    n-dodecane 0.03
    diethylene glycol 14.15
    diisopropyl ether 0.26
    tert-amyl alcohol 6.07
    acetylacetone 4.81
    n-hexadecane 0.04
    acetophenone 2.09
    methyl propionate 2.02
    isopentyl acetate 2.89
    trichloroethylene 0.03
    n-nonanol 2.29
    cyclohexanol 2.24
    benzyl alcohol 2.09
    2-ethylhexanol 1.56
    isooctanol 1.94
    dipropyl ether 1.52
    1,2-dichlorobenzene 0.05
    ethyl lactate 2.93
    propylene carbonate 1.73
    n-methylformamide 3.89
    2-pentanol 2.49
    n-pentane 0.0
    1-propoxy-2-propanol 12.82
    1-methoxy-2-propyl acetate 7.61
    2-(2-methoxypropoxy) propanol 13.97
    mesitylene 0.11
    ε-caprolactone 5.38
    p-cymene 0.38
    epichlorohydrin 8.05
    1,1,1-trichloroethane 0.01
    2-aminoethanol 3.26
    morpholine-4-carbaldehyde 16.92
    sulfolane 16.21
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 7.9
    n-hexyl acetate 3.99
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 21.18
    sec-butyl acetate 1.54
    tert-butyl acetate 3.61
    decalin 0.01
    glycerin 9.2
    diglyme 32.85
    acrylic acid 1.65
    isopropyl myristate 1.91
    n-butyric acid 2.32
    acetyl acetate 0.63
    di(2-ethylhexyl) phthalate 1.87
    ethyl propionate 1.59
    nitromethane 4.34
    1,2-diethoxyethane 8.5
    benzonitrile 0.74
    trioctyl phosphate 1.45
    1-bromopropane 0.02
    gamma-valerolactone 19.38
    n-decanol 1.8
    triethyl phosphate 1.54
    4-methyl-2-pentanol 1.69
    propionitrile 0.78
    vinylene carbonate 1.12
    1,1,2-trichlorotrifluoroethane 6.31
    DMS 2.72
    cumene 0.15
    2-octanol 1.56
    2-hexanone 2.92
    octyl acetate 2.43
    limonene 0.48
    1,2-dimethoxyethane 21.33
    ethyl orthosilicate 1.54
    tributyl phosphate 1.73
    diacetone alcohol 13.84
    N,N-dimethylaniline 1.19
    acrylonitrile 1.33
    aniline 1.16
    1,3-propanediol 8.25
    bromobenzene 0.01
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.05
    2-methyl-cyclohexyl acetate 2.01
    tetrabutyl urea 3.2
    diisobutyl methanol 1.45
    2-phenylethanol 2.76
    styrene 0.11
    dioctyl adipate 2.87
    dimethyl sulfate 3.84
    ethyl butyrate 1.94
    methyl lactate 5.62
    butyl lactate 4.53
    diethyl carbonate 1.07
    propanediol butyl ether 9.41
    triethyl orthoformate 2.66
    p-tert-butyltoluene 0.4
    methyl 4-tert-butylbenzoate 4.84
    morpholine 13.48
    tert-butylamine 0.89
    n-dodecanol 1.26
    dimethoxymethane 12.4
    ethylene carbonate 0.85
    cyrene 8.0
    2-ethoxyethyl acetate 6.06
    2-ethylhexyl acetate 1.81
    1,2,4-trichlorobenzene 0.14
    4-methylpyridine 1.9
    dibutyl ether 2.43
    2,6-dimethyl-4-heptanol 1.45
    DEF 6.66
    dimethyl isosorbide 16.8
    tetrachloroethylene 0.04
    eugenol 6.0
    triacetin 4.69
    span 80 7.93
    1,4-butanediol 1.6
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 2.62
    methyl formate 1.92
    2-methyl-1-butanol 3.36
    n-decane 0.04
    butyronitrile 0.9
    3,7-dimethyl-1-octanol 2.19
    1-chlorooctane 0.3
    1-chlorotetradecane 0.16
    n-nonane 0.02
    undecane 0.04
    tert-butylcyclohexane 0.02
    cyclooctane 0.0
    cyclopentanol 2.42
    tetrahydropyran 2.74
    tert-amyl methyl ether 3.36
    2,5,8-trioxanonane 23.02
    1-hexene 0.03
    2-isopropoxyethanol 7.66
    2,2,2-trifluoroethanol 0.56
    methyl butyrate 2.43

    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