5,7-Dimethoxyflavone

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  • Identifiers

    CAS number
    21392-57-4

    Molecular formula
    C17H14O4

    SMILES
    COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC=CC=C3

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 57.67%
    Fruity 49.65%
    Floral 39.4%
    Phenolic 39.34%
    Powdery 36.28%
    Spicy 33.46%
    Balsamic 33.22%
    Vanilla 33.02%
    Aromatic 28.52%
    Animal 26.88%

     

    Flavor
    Bitter 80.22%
    Balsam 25.48%
    Parsley 20.52%
    Lovage 20.36%
    Aniseed 20.02%
    Herbal 19.91%
    Tarragon 19.88%
    Ethyl benzoate 19.66%
    Cedarleaf 19.53%
    Ripe apricot 19.25%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.99 (neutral)

    Molecular weight
    282.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    484°C

    Melting point expt.

    • 154 °C

    Flash point

    • 177.44 ˚C est.

  • Synonyms

    • 5,7-Dimethoxyflavone
    • 21392-57-4
    • Chrysin dimethyl ether
    • Chrysin 5,7-dimethyl ether
    • 5,7-dimethoxy-2-phenylchromen-4-one
    • 5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
    • J8HQQ4R4F2
    • 4H-1-Benzopyran-4-one, 5,7-dimethoxy-2-phenyl-
    • DTXSID50175656
    • NSC-741743
    • CHEBI:3684
    • RefChem:101386
    • DTXCID9098147
    • Chrysin dimethylether
    • Dimethylchrysin
    • 5,7-Dimethoxy-2-phenyl-chromen-4-one
    • Chrysin DME
    • MFCD00016943
    • 5,7-Dimethoxy Flavone
    • CHEMBL275391
    • Chrysindimethylether
    • Chrysin-Dimethylether
    • 5,7 dimethoxyflavone
    • Spectrum_000364
    • 5,7-Dimethoxy-Flavone
    • SpecPlus_000913
    • Chrysin - dimethyl ether
    • Dimethoxyflavone, 5,7-
    • Spectrum2_001359
    • Spectrum3_001034
    • Spectrum4_001169
    • Spectrum5_001712
    • 5,7-Di Methoxy Flavone
    • Flavone, 5,7-dimethoxy-
    • UNII-J8HQQ4R4F2
    • 4H-1-Benzopyran-4-one,5,7-dimethoxy-2-phenyl-
    • Oprea1_482940
    • BSPBio_002847
    • KBioGR_001777
    • KBioSS_000844
    • cid_88881
    • MLS001049094
    • DivK1c_007009
    • SPBio_001577
    • MEGxp0_001682
    • orb1301499
    • SCHEMBL1676012
    • SCHEMBL29403280
    • HY-N5011R
    • KBio1_001953
    • KBio2_000844
    • KBio2_003412
    • KBio2_005980
    • KBio3_002067
    • 5,7-Dimethoxyflavone (Standard)
    • 5,7-dimethoxyflavone, AldrichCPR
    • HMS2269A24
    • HY-N5011
    • 5-O-METHYL-7-METHOXYFLAVONE
    • BDBM50338972
    • CCG-39297
    • LMPK12110188
    • MSK158739
    • NSC741743
    • s3227
    • STK921429
    • AKOS002255361
    • EBC-616332
    • FC66720
    • MB00258
    • NSC 741743
    • NCGC00178436-01
    • AC-34393
    • MS-24007
    • SMR000386927
    • DB-045565
    • CS-0032072
    • ST50309370
    • 5,7-Dimethoxy-2-phenyl-4H-chromen-4-one #
    • VU0361824-2
    • E88577
    • SR-01000758978
    • A1-05745
    • SR-01000758978-2
    • BRD-K81298036-001-02-1
    • BRD-K81298036-001-06-2
    • Q27106162
    • F3228-0184
    • Chrysin dimethyletherChrysin dimethylether; Chrysin 5,7-dimethyl ether; Dimethylchrysin
    • 21392-57-4

  • Applications

    5,7-Dimethoxyflavone (CAS 21392-57-4) is mainly used as a synthetic intermediate and core flavonoid scaffold in medicinal chemistry to prepare flavonoid derivatives; it also serves as a building block in organic synthesis to access more complex flavone structures and related bioactive compounds. In research and development, the compound is viewed as a starting material for targeted synthetic routes and for designing flavone analogs. Additionally, it may be explored as a chromophore or functional component for coating or polymer applications, where its aromatic framework can confer optical or mechanical properties. Its use is typically subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.4
    methanol 4.0
    isopropanol 2.69
    water 0.0
    ethyl acetate 14.64
    n-propanol 3.94
    acetone 33.14
    n-butanol 3.06
    acetonitrile 17.99
    DMF 82.73
    toluene 10.23
    isobutanol 3.37
    1,4-dioxane 43.02
    methyl acetate 28.57
    THF 132.31
    2-butanone 26.42
    n-pentanol 2.9
    sec-butanol 2.59
    n-hexane 0.12
    ethylene glycol 4.62
    NMP 95.8
    cyclohexane 0.45
    DMSO 211.76
    n-butyl acetate 10.67
    n-octanol 1.55
    chloroform 104.38
    n-propyl acetate 12.07
    acetic acid 21.15
    dichloromethane 161.69
    cyclohexanone 44.57
    propylene glycol 3.77
    isopropyl acetate 9.03
    DMAc 110.81
    2-ethoxyethanol 17.31
    isopentanol 3.87
    n-heptane 0.18
    ethyl formate 13.37
    1,2-dichloroethane 103.92
    n-hexanol 2.94
    2-methoxyethanol 37.12
    isobutyl acetate 8.95
    tetrachloromethane 3.51
    n-pentyl acetate 6.16
    transcutol 59.83
    n-heptanol 1.87
    ethylbenzene 4.07
    MIBK 9.9
    2-propoxyethanol 19.25
    tert-butanol 4.24
    MTBE 4.15
    2-butoxyethanol 9.72
    propionic acid 12.7
    o-xylene 4.71
    formic acid 8.65
    diethyl ether 4.65
    m-xylene 4.54
    p-xylene 5.96
    chlorobenzene 24.1
    dimethyl carbonate 20.13
    n-octane 0.09
    formamide 20.27
    cyclopentanone 87.0
    2-pentanone 13.47
    anisole 15.51
    cyclopentyl methyl ether 22.11
    gamma-butyrolactone 101.48
    1-methoxy-2-propanol 17.52
    pyridine 64.77
    3-pentanone 12.99
    furfural 98.87
    n-dodecane 0.15
    diethylene glycol 24.5
    diisopropyl ether 1.29
    tert-amyl alcohol 3.4
    acetylacetone 36.99
    n-hexadecane 0.19
    acetophenone 20.45
    methyl propionate 20.99
    isopentyl acetate 12.26
    trichloroethylene 214.88
    n-nonanol 1.83
    cyclohexanol 5.51
    benzyl alcohol 14.62
    2-ethylhexanol 3.18
    isooctanol 2.13
    dipropyl ether 4.31
    1,2-dichlorobenzene 23.86
    ethyl lactate 9.42
    propylene carbonate 37.62
    n-methylformamide 27.02
    2-pentanol 1.55
    n-pentane 0.08
    1-propoxy-2-propanol 11.52
    1-methoxy-2-propyl acetate 21.24
    2-(2-methoxypropoxy) propanol 17.18
    mesitylene 2.18
    ε-caprolactone 33.54
    p-cymene 3.4
    epichlorohydrin 196.96
    1,1,1-trichloroethane 33.96
    2-aminoethanol 5.72
    morpholine-4-carbaldehyde 75.39
    sulfolane 139.35
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 39.35
    n-hexyl acetate 7.23
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 17.97
    sec-butyl acetate 7.75
    tert-butyl acetate 11.51
    decalin 0.46
    glycerin 13.13
    diglyme 49.84
    acrylic acid 18.42
    isopropyl myristate 3.69
    n-butyric acid 11.5
    acetyl acetate 15.67
    di(2-ethylhexyl) phthalate 6.75
    ethyl propionate 11.28
    nitromethane 81.95
    1,2-diethoxyethane 14.62
    benzonitrile 20.69
    trioctyl phosphate 3.32
    1-bromopropane 15.86
    gamma-valerolactone 102.67
    n-decanol 1.5
    triethyl phosphate 9.57
    4-methyl-2-pentanol 1.73
    propionitrile 11.38
    vinylene carbonate 35.54
    1,1,2-trichlorotrifluoroethane 96.72
    DMS 21.33
    cumene 2.96
    2-octanol 1.1
    2-hexanone 11.99
    octyl acetate 4.54
    limonene 3.88
    1,2-dimethoxyethane 38.59
    ethyl orthosilicate 7.97
    tributyl phosphate 5.49
    diacetone alcohol 16.94
    N,N-dimethylaniline 9.67
    acrylonitrile 25.11
    aniline 17.52
    1,3-propanediol 9.3
    bromobenzene 25.11
    dibromomethane 63.22
    1,1,2,2-tetrachloroethane 128.65
    2-methyl-cyclohexyl acetate 12.68
    tetrabutyl urea 8.43
    diisobutyl methanol 2.43
    2-phenylethanol 12.42
    styrene 5.91
    dioctyl adipate 9.16
    dimethyl sulfate 49.7
    ethyl butyrate 10.19
    methyl lactate 16.52
    butyl lactate 7.35
    diethyl carbonate 9.57
    propanediol butyl ether 7.1
    triethyl orthoformate 9.29
    p-tert-butyltoluene 2.67
    methyl 4-tert-butylbenzoate 14.26
    morpholine 53.14
    tert-butylamine 1.76
    n-dodecanol 1.25
    dimethoxymethane 40.89
    ethylene carbonate 25.48
    cyrene 24.08
    2-ethoxyethyl acetate 15.83
    2-ethylhexyl acetate 9.54
    1,2,4-trichlorobenzene 34.73
    4-methylpyridine 39.0
    dibutyl ether 3.48
    2,6-dimethyl-4-heptanol 2.43
    DEF 21.92
    dimethyl isosorbide 40.96
    tetrachloroethylene 60.14
    eugenol 16.01
    triacetin 14.8
    span 80 9.93
    1,4-butanediol 3.3
    1,1-dichloroethane 35.71
    2-methyl-1-pentanol 4.1
    methyl formate 29.78
    2-methyl-1-butanol 3.3
    n-decane 0.2
    butyronitrile 9.04
    3,7-dimethyl-1-octanol 2.58
    1-chlorooctane 1.58
    1-chlorotetradecane 0.86
    n-nonane 0.15
    undecane 0.17
    tert-butylcyclohexane 0.33
    cyclooctane 0.12
    cyclopentanol 10.78
    tetrahydropyran 24.28
    tert-amyl methyl ether 3.81
    2,5,8-trioxanonane 36.5
    1-hexene 1.01
    2-isopropoxyethanol 10.75
    2,2,2-trifluoroethanol 12.12
    methyl butyrate 16.01

    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