7,4'-Dimethoxyflavone

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  • Identifiers

    CAS number
    20979-50-4

    Molecular formula
    C17H14O4

    SMILES
    COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 76.88%
    Phenolic 47.41%
    Vanilla 44.18%
    Powdery 43.3%
    Floral 42.57%
    Coumarinic 39.02%
    Anisic 35.62%
    Aromatic 34.53%
    Spicy 33.68%
    Hay 33.47%

     

    Flavor
    Bitter 84.54%
    Balsam 29.9%
    Sweet 28.49%
    Tonka 25.05%
    Aniseed 20.1%
    Tarragon 20.05%
    Parsley 19.68%
    Lovage 19.34%
    Naphthalic 19.23%
    Balsamic 19.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    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.
    479°C

    Flash point

    • 185.74 ˚C est.

  • Synonyms

    • 7,4'-Dimethoxyflavone
    • 20979-50-4
    • 7-methoxy-2-(4-methoxyphenyl)chromen-4-one
    • 4',7-Dimethoxyflavone
    • 4,7-DIMETHOXYFLAVONE
    • DTXSID40332791
    • RefChem:544713
    • DTXCID30283884
    • 108-373-2
    • 7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
    • 4H-1-Benzopyran-4-one, 7-methoxy-2-(4-methoxyphenyl)-
    • CHEMBL16442
    • MFCD00017686
    • 7-Methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
    • Dimethyldaidzin
    • Spectrum_001784
    • 7,4''-dimethoxyflavone
    • Spectrum2_000057
    • Spectrum3_001879
    • 7-Methoxy-2-(4-methoxy-phenyl)-chromen-4-one
    • VT3Q9ZRK44
    • Oprea1_210472
    • Oprea1_683062
    • BSPBio_003358
    • KBioSS_002269
    • SPBio_000213
    • SCHEMBL3470601
    • KBio2_002268
    • KBio2_004836
    • KBio2_007404
    • KBio3_002860
    • LGTXUFBDCDFQIU-UHFFFAOYSA-N
    • HMS1610K02
    • HMS3428I06
    • BDBM50310184
    • CCG-38360
    • AKOS000663257
    • FD67489
    • NCGC00178120-01
    • DB-045444
    • ST50249997
    • SR-01000434442
    • SR-01000434442-1
    • BRD-K16115965-001-02-2
    • Q63409417
    • 20979-50-4

  • Applications

    7,4'-Dimethoxyflavone (CAS 20979-50-4) is primarily used as a synthetic building block and research intermediate in flavonoid chemistry, supporting the preparation of flavone derivatives and natural product analogs in pharmaceutical and biochemical research. It is commonly utilized as an analytical reference standard in LC/UV and MS workflows for method development, quality control, and calibration of flavonoid-containing samples. In cosmetics and personal care, it may be evaluated for antioxidant activity and as a defined component in formulation studies. In coatings, inks, and pigment systems, it can serve as a dye/pigment intermediate and a potential UV-absorbing chromophore in test formulations. As an accessible intermediate, it supports SAR exploration and construction of more complex flavonoid structures in organic synthesis. Additionally, it has been explored as a lead scaffold in materials research for organic electronics/optoelectronic applications, subject to formulation constraints and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.91
    methanol 0.73
    isopropanol 0.9
    water 0.0
    ethyl acetate 4.44
    n-propanol 1.3
    acetone 4.15
    n-butanol 1.1
    acetonitrile 3.94
    DMF 15.26
    toluene 2.18
    isobutanol 1.1
    1,4-dioxane 19.05
    methyl acetate 8.19
    THF 36.47
    2-butanone 7.45
    n-pentanol 1.12
    sec-butanol 1.44
    n-hexane 0.07
    ethylene glycol 0.94
    NMP 17.3
    cyclohexane 0.13
    DMSO 43.72
    n-butyl acetate 3.25
    n-octanol 0.36
    chloroform 29.8
    n-propyl acetate 4.17
    acetic acid 6.62
    dichloromethane 43.16
    cyclohexanone 10.35
    propylene glycol 1.13
    isopropyl acetate 3.54
    DMAc 41.62
    2-ethoxyethanol 8.02
    isopentanol 1.48
    n-heptane 0.1
    ethyl formate 2.51
    1,2-dichloroethane 24.94
    n-hexanol 0.76
    2-methoxyethanol 10.42
    isobutyl acetate 2.82
    tetrachloromethane 0.84
    n-pentyl acetate 1.67
    transcutol 57.08
    n-heptanol 0.54
    ethylbenzene 1.41
    MIBK 3.1
    2-propoxyethanol 7.37
    tert-butanol 1.82
    MTBE 3.13
    2-butoxyethanol 3.62
    propionic acid 3.94
    o-xylene 1.73
    formic acid 2.78
    diethyl ether 3.39
    m-xylene 1.11
    p-xylene 2.05
    chlorobenzene 4.45
    dimethyl carbonate 5.69
    n-octane 0.04
    formamide 7.66
    cyclopentanone 15.99
    2-pentanone 3.37
    anisole 7.2
    cyclopentyl methyl ether 6.73
    gamma-butyrolactone 22.94
    1-methoxy-2-propanol 6.57
    pyridine 16.77
    3-pentanone 4.88
    furfural 25.01
    n-dodecane 0.05
    diethylene glycol 8.59
    diisopropyl ether 1.19
    tert-amyl alcohol 2.11
    acetylacetone 9.51
    n-hexadecane 0.06
    acetophenone 7.66
    methyl propionate 5.76
    isopentyl acetate 4.37
    trichloroethylene 55.38
    n-nonanol 0.52
    cyclohexanol 2.07
    benzyl alcohol 4.53
    2-ethylhexanol 1.07
    isooctanol 0.69
    dipropyl ether 3.41
    1,2-dichlorobenzene 5.75
    ethyl lactate 3.48
    propylene carbonate 7.8
    n-methylformamide 4.99
    2-pentanol 0.88
    n-pentane 0.04
    1-propoxy-2-propanol 5.33
    1-methoxy-2-propyl acetate 10.37
    2-(2-methoxypropoxy) propanol 10.99
    mesitylene 0.76
    ε-caprolactone 10.59
    p-cymene 1.25
    epichlorohydrin 51.77
    1,1,1-trichloroethane 7.62
    2-aminoethanol 1.54
    morpholine-4-carbaldehyde 33.88
    sulfolane 36.72
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 13.33
    n-hexyl acetate 1.92
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 10.23
    sec-butyl acetate 3.66
    tert-butyl acetate 5.67
    decalin 0.22
    glycerin 4.4
    diglyme 34.0
    acrylic acid 5.63
    isopropyl myristate 1.52
    n-butyric acid 3.29
    acetyl acetate 5.48
    di(2-ethylhexyl) phthalate 2.34
    ethyl propionate 5.29
    nitromethane 21.7
    1,2-diethoxyethane 12.28
    benzonitrile 4.44
    trioctyl phosphate 0.96
    1-bromopropane 4.69
    gamma-valerolactone 29.06
    n-decanol 0.44
    triethyl phosphate 5.69
    4-methyl-2-pentanol 0.84
    propionitrile 3.27
    vinylene carbonate 8.15
    1,1,2-trichlorotrifluoroethane 28.76
    DMS 7.95
    cumene 1.1
    2-octanol 0.34
    2-hexanone 4.16
    octyl acetate 1.44
    limonene 1.54
    1,2-dimethoxyethane 21.7
    ethyl orthosilicate 5.08
    tributyl phosphate 1.86
    diacetone alcohol 6.59
    N,N-dimethylaniline 5.21
    acrylonitrile 6.36
    aniline 4.75
    1,3-propanediol 2.69
    bromobenzene 4.7
    dibromomethane 15.19
    1,1,2,2-tetrachloroethane 36.12
    2-methyl-cyclohexyl acetate 5.62
    tetrabutyl urea 2.67
    diisobutyl methanol 1.26
    2-phenylethanol 3.68
    styrene 1.84
    dioctyl adipate 4.08
    dimethyl sulfate 17.05
    ethyl butyrate 5.23
    methyl lactate 5.0
    butyl lactate 2.3
    diethyl carbonate 5.1
    propanediol butyl ether 2.48
    triethyl orthoformate 6.37
    p-tert-butyltoluene 1.18
    methyl 4-tert-butylbenzoate 6.56
    morpholine 21.2
    tert-butylamine 0.84
    n-dodecanol 0.39
    dimethoxymethane 12.14
    ethylene carbonate 5.84
    cyrene 11.02
    2-ethoxyethyl acetate 6.37
    2-ethylhexyl acetate 3.64
    1,2,4-trichlorobenzene 9.81
    4-methylpyridine 9.11
    dibutyl ether 1.97
    2,6-dimethyl-4-heptanol 1.26
    DEF 8.46
    dimethyl isosorbide 25.27
    tetrachloroethylene 15.43
    eugenol 6.51
    triacetin 7.73
    span 80 4.8
    1,4-butanediol 1.1
    1,1-dichloroethane 7.87
    2-methyl-1-pentanol 1.78
    methyl formate 4.48
    2-methyl-1-butanol 1.43
    n-decane 0.08
    butyronitrile 2.1
    3,7-dimethyl-1-octanol 0.87
    1-chlorooctane 0.39
    1-chlorotetradecane 0.25
    n-nonane 0.05
    undecane 0.06
    tert-butylcyclohexane 0.18
    cyclooctane 0.05
    cyclopentanol 2.64
    tetrahydropyran 8.64
    tert-amyl methyl ether 3.21
    2,5,8-trioxanonane 26.99
    1-hexene 0.46
    2-isopropoxyethanol 5.53
    2,2,2-trifluoroethanol 3.83
    methyl butyrate 5.48

    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