5-Hydroxy-7,4'-dimethoxyflavone

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  • Identifiers

    CAS number
    5128-44-9

    Molecular formula
    C17H14O5

    SMILES
    COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 59.76%
    Phenolic 53.86%
    Vanilla 39.38%
    Powdery 33.87%
    Fruity 33.65%
    Spicy 32.46%
    Balsamic 31.17%
    Aromatic 28.46%
    Medicinal 28.39%
    Animal 27.91%

     

    Flavor
    Bitter 87.73%
    Parsley 20.77%
    Lovage 19.96%
    Cedarleaf 19.79%
    Aniseed 19.68%
    Ethyl benzoate 19.58%
    Tarragon 19.55%
    Ripe apricot 19.33%
    Very strong 19.33%
    Indole 19.3%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.27 (weak base)

    Molecular weight
    298.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    556°C

    Flash point

    • 194.19 ˚C est.

  • Synonyms

    • 5128-44-9
    • Apigenin 7,4'-dimethyl ether
    • Apigenin dimethylether
    • Genkwanin 4'-methyl ether
    • 4',7-Dimethylapigenin
    • 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
    • 5-Hydroxy-4',7-dimethoxyflavone
    • 5-Hydroxy-7,4'-dimethoxyflavone
    • 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-
    • NSC-94547
    • 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
    • CHEBI:2769
    • DTXSID50199276
    • RefChem:913433
    • DTXCID80121767
    • 7,4'-Di-O-methylapigenin
    • 4',7-DIMETHOXY-5-HYDROXYFLAVONE
    • 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
    • Apigenin 4',7-dimethyl ether
    • APIGENIN DIMETHYL ETHER
    • LVC8MF8MWR
    • NSC 94547
    • Flavone, 5-hydroxy-4',7-dimethoxy-
    • apigenin-7,4'-dimethylether
    • NSC94547
    • 4,7-dimethoxy-5-hydroxyflavone
    • Acacetin 7-o-methyl ether
    • Dimethoxylapigenin
    • EINECS 225-867-4
    • Flavone, 5-hydroxy-4,7-dimethoxy-
    • MFCD00017446
    • Flavone,7-dimethoxy-
    • 7,4'-dimethylapigenin
    • 7-METHYLACACETIN
    • UNII-LVC8MF8MWR
    • Apigenin, 7,4'-dimethyl
    • apigenin-4',7-dimethylether
    • Apigenin 7,4-dimethyl ether
    • apigenin-7,4'-dimethyl ether
    • CHEMBL350958
    • orb1301580
    • SCHEMBL1176691
    • SCHEMBL5706595
    • 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-benzopyrone
    • SCHEMBL29392759
    • 5-hydroxy-4',7-dimethoxyflavon
    • apigenin 7,4'-di-O-methylether
    • BDBM23413
    • HY-N2144R
    • 7,4'-dimethoxy-5-hydroxyflavone
    • Flavone,5-hydroxy-4-7-dimethoxy
    • 4',7-DI-O-METHYLAPIGENIN
    • 4',7-Dimethoxy-5-hydroxy flavone
    • 5'-Hydroxy-7,4'-dimethoxyflavone
    • 5-Hydroxy-4',7-dimethoxy-flavone
    • Apigenin-4',7-di-O-methyl ether
    • 5-hydroxyl-7,4'-dimethoxy flavone
    • HY-N2144
    • LMPK12111029
    • NSC815096
    • s3918
    • ZB1877
    • AKOS016009507
    • 7,4'-Di-O-methylapigenin (Standard)
    • CCG-214072
    • CS-5798
    • EBC-466093
    • FA65396
    • NSC-815096
    • AC-34635
    • BS-17161
    • DB-118461
    • NS00032247
    • F16184
    • 4',7-O-Dimethylapigenin, 4',7-Dimethoxyapigenin
    • SR-05000002549
    • SR-05000002549-1
    • Q23050245
    • 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-
    • 5128-44-9

  • Applications

    5-Hydroxy-7,4'-dimethoxyflavone (CAS 5128-44-9) is commonly used as a building block and intermediate in organic synthesis, serving as a scaffold for flavonoid derivative preparation in medicinal chemistry research and as a precursor in specialty chemical development. It is often evaluated in pharmaceutical-related research for further functionalization of the flavone core. In cosmetics and personal care, it is investigated as a potential ingredient due to its phenolic structure and antioxidant potential. In coatings, plastics, and polymer formulations, it may be explored as a UV-absorbing or stabilizing additive to enhance durability and color properties. It also supports analytical and research work as a reference material or starting point for method development and flavonoid chemistry studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.43
    methanol 0.45
    isopropanol 0.6
    water 0.0
    ethyl acetate 2.33
    n-propanol 0.69
    acetone 4.27
    n-butanol 0.59
    acetonitrile 2.19
    DMF 27.07
    toluene 0.44
    isobutanol 0.73
    1,4-dioxane 8.94
    methyl acetate 4.78
    THF 37.29
    2-butanone 5.95
    n-pentanol 0.49
    sec-butanol 0.81
    n-hexane 0.01
    ethylene glycol 1.14
    NMP 37.36
    cyclohexane 0.02
    DMSO 166.62
    n-butyl acetate 2.47
    n-octanol 0.29
    chloroform 5.95
    n-propyl acetate 2.45
    acetic acid 4.76
    dichloromethane 7.04
    cyclohexanone 9.0
    propylene glycol 1.71
    isopropyl acetate 2.04
    DMAc 59.34
    2-ethoxyethanol 5.75
    isopentanol 0.92
    n-heptane 0.03
    ethyl formate 1.63
    1,2-dichloroethane 5.99
    n-hexanol 0.39
    2-methoxyethanol 12.54
    isobutyl acetate 1.78
    tetrachloromethane 0.24
    n-pentyl acetate 1.18
    transcutol 47.44
    n-heptanol 0.35
    ethylbenzene 0.27
    MIBK 2.21
    2-propoxyethanol 8.03
    tert-butanol 1.42
    MTBE 1.39
    2-butoxyethanol 3.32
    propionic acid 3.07
    o-xylene 0.44
    formic acid 2.12
    diethyl ether 0.79
    m-xylene 0.32
    p-xylene 0.52
    chlorobenzene 1.25
    dimethyl carbonate 4.9
    n-octane 0.01
    formamide 6.08
    cyclopentanone 20.38
    2-pentanone 2.44
    anisole 2.71
    cyclopentyl methyl ether 4.37
    gamma-butyrolactone 26.5
    1-methoxy-2-propanol 9.08
    pyridine 6.57
    3-pentanone 2.91
    furfural 22.83
    n-dodecane 0.02
    diethylene glycol 10.85
    diisopropyl ether 0.33
    tert-amyl alcohol 1.38
    acetylacetone 8.69
    n-hexadecane 0.02
    acetophenone 4.33
    methyl propionate 4.33
    isopentyl acetate 3.32
    trichloroethylene 17.58
    n-nonanol 0.38
    cyclohexanol 1.26
    benzyl alcohol 2.24
    2-ethylhexanol 0.57
    isooctanol 0.46
    dipropyl ether 1.38
    1,2-dichlorobenzene 1.92
    ethyl lactate 3.31
    propylene carbonate 7.5
    n-methylformamide 5.72
    2-pentanol 0.44
    n-pentane 0.01
    1-propoxy-2-propanol 5.99
    1-methoxy-2-propyl acetate 9.39
    2-(2-methoxypropoxy) propanol 10.67
    mesitylene 0.22
    ε-caprolactone 8.58
    p-cymene 0.48
    epichlorohydrin 42.78
    1,1,1-trichloroethane 2.54
    2-aminoethanol 1.65
    morpholine-4-carbaldehyde 35.25
    sulfolane 70.13
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 8.71
    n-hexyl acetate 1.55
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 9.64
    sec-butyl acetate 1.97
    tert-butyl acetate 3.86
    decalin 0.05
    glycerin 7.39
    diglyme 30.06
    acrylic acid 4.69
    isopropyl myristate 1.05
    n-butyric acid 2.44
    acetyl acetate 2.93
    di(2-ethylhexyl) phthalate 1.79
    ethyl propionate 2.84
    nitromethane 23.4
    1,2-diethoxyethane 6.54
    benzonitrile 2.23
    trioctyl phosphate 0.87
    1-bromopropane 1.06
    gamma-valerolactone 33.06
    n-decanol 0.31
    triethyl phosphate 3.8
    4-methyl-2-pentanol 0.48
    propionitrile 1.81
    vinylene carbonate 6.44
    1,1,2-trichlorotrifluoroethane 34.09
    DMS 6.24
    cumene 0.29
    2-octanol 0.22
    2-hexanone 2.73
    octyl acetate 1.11
    limonene 0.67
    1,2-dimethoxyethane 15.98
    ethyl orthosilicate 3.01
    tributyl phosphate 1.66
    diacetone alcohol 7.24
    N,N-dimethylaniline 2.19
    acrylonitrile 3.84
    aniline 2.04
    1,3-propanediol 2.65
    bromobenzene 1.1
    dibromomethane 2.55
    1,1,2,2-tetrachloroethane 13.78
    2-methyl-cyclohexyl acetate 3.71
    tetrabutyl urea 2.58
    diisobutyl methanol 0.69
    2-phenylethanol 2.16
    styrene 0.36
    dioctyl adipate 3.07
    dimethyl sulfate 21.51
    ethyl butyrate 3.17
    methyl lactate 6.99
    butyl lactate 2.22
    diethyl carbonate 3.05
    propanediol butyl ether 2.88
    triethyl orthoformate 4.0
    p-tert-butyltoluene 0.46
    methyl 4-tert-butylbenzoate 5.18
    morpholine 13.85
    tert-butylamine 0.47
    n-dodecanol 0.27
    dimethoxymethane 11.63
    ethylene carbonate 4.49
    cyrene 12.21
    2-ethoxyethyl acetate 4.55
    2-ethylhexyl acetate 2.54
    1,2,4-trichlorobenzene 3.58
    4-methylpyridine 4.44
    dibutyl ether 0.98
    2,6-dimethyl-4-heptanol 0.69
    DEF 6.38
    dimethyl isosorbide 25.08
    tetrachloroethylene 4.89
    eugenol 5.27
    triacetin 6.08
    span 80 4.3
    1,4-butanediol 0.85
    1,1-dichloroethane 2.14
    2-methyl-1-pentanol 0.83
    methyl formate 4.63
    2-methyl-1-butanol 0.84
    n-decane 0.03
    butyronitrile 1.14
    3,7-dimethyl-1-octanol 0.6
    1-chlorooctane 0.19
    1-chlorotetradecane 0.12
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.04
    cyclooctane 0.01
    cyclopentanol 2.22
    tetrahydropyran 3.53
    tert-amyl methyl ether 1.55
    2,5,8-trioxanonane 23.6
    1-hexene 0.09
    2-isopropoxyethanol 3.91
    2,2,2-trifluoroethanol 2.95
    methyl butyrate 3.61

    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