5-Methoxyflavone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    42079-78-7

    Molecular formula
    C16H12O3

    SMILES
    COC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 60.07%
    Phenolic 43.2%
    Floral 39.07%
    Powdery 38.1%
    Coumarinic 37.64%
    Fruity 36.97%
    Balsamic 34.76%
    Vanilla 31.76%
    Spicy 30.17%
    Aromatic 29.69%

     

    Flavor
    Bitter 84.63%
    Balsam 29.55%
    Tonka 24.87%
    Sweet 23.57%
    Herbal 21.31%
    Very strong 20.2%
    Lovage 20.14%
    Tarragon 19.93%
    Moth ball 19.88%
    Aniseed 19.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.28 (neutral)

    Molecular weight
    252.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    441°C

    Flash point

    • 169.16 ˚C est.

  • Synonyms

    • 5-Methoxyflavone
    • 42079-78-7
    • DTXSID40194917
    • RefChem:536668
    • DTXCID80117408
    • 255-652-0
    • 5-methoxy-2-phenyl-4h-chromen-4-one
    • 5-methoxy-2-phenylchromen-4-one
    • MFCD00016942
    • 5-Methoxy-2-phenyl-chromen-4-one
    • CHEMBL16685
    • ST069360
    • 5-Methoxy-2-phenyl-4-benzopyrone
    • 4H-1-Benzopyran-4-one, 5-methoxy-2-phenyl-
    • EINECS 255-652-0
    • 5-Methoxy-2-phenyl-4H-1-benzopyran-4-one
    • Oprea1_842256
    • Oprea1_859852
    • BIDD:ER0473
    • ghl.PD_Mitscher_leg0.1155
    • MEGxp0_001704
    • orb1304304
    • SCHEMBL1629391
    • ACon1_000175
    • CHEBI:181154
    • 5-Methoxy-2-phenyl chromen-4-one
    • BDBM50296862
    • s4782
    • AKOS000599908
    • CCG-208437
    • EBC-616684
    • FM55019
    • NCGC00142613-01
    • NCGC00142613-02
    • NCGC00142613-03
    • NCGC00180810-01
    • AS-62240
    • DA-70233
    • PD056554
    • SY049321
    • HY-107790
    • CS-0030664
    • M2365
    • NS00056780
    • T72452
    • SR-05000002253
    • SR-05000002253-2
    • BRD-K81383664-001-01-2
    • 42079-78-7

  • Applications

    5-Methoxyflavone (CAS number: 42079-78-7) is primarily used as a synthetic intermediate for the preparation of more complex flavonoid structures in pharmaceutical and fine-chemical research. It is also employed as a building block in medicinal chemistry and drug-discovery programs to explore enzyme inhibition and structure-activity relationships. In cosmetics and personal care, the compound is evaluated for antioxidant activity and potential formulation benefits. In polymers and coatings, it is investigated as a small-molecule additive with antioxidant or stabilizing properties. Overall, its applications are mainly in research, development, and formulation work, and any use should comply with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.62
    methanol 3.16
    isopropanol 2.39
    water 0.0
    ethyl acetate 15.33
    n-propanol 3.67
    acetone 30.38
    n-butanol 3.41
    acetonitrile 15.23
    DMF 68.45
    toluene 21.75
    isobutanol 3.26
    1,4-dioxane 56.63
    methyl acetate 27.38
    THF 139.5
    2-butanone 27.14
    n-pentanol 4.12
    sec-butanol 2.64
    n-hexane 0.29
    ethylene glycol 2.66
    NMP 75.7
    cyclohexane 0.82
    DMSO 109.17
    n-butyl acetate 16.09
    n-octanol 2.49
    chloroform 111.96
    n-propyl acetate 16.61
    acetic acid 15.57
    dichloromethane 176.8
    cyclohexanone 53.81
    propylene glycol 2.25
    isopropyl acetate 12.45
    DMAc 84.84
    2-ethoxyethanol 15.46
    isopentanol 4.95
    n-heptane 0.49
    ethyl formate 12.4
    1,2-dichloroethane 133.24
    n-hexanol 5.04
    2-methoxyethanol 25.73
    isobutyl acetate 13.72
    tetrachloromethane 3.4
    n-pentyl acetate 9.68
    transcutol 85.59
    n-heptanol 3.14
    ethylbenzene 8.67
    MIBK 15.34
    2-propoxyethanol 20.63
    tert-butanol 4.77
    MTBE 6.83
    2-butoxyethanol 11.86
    propionic acid 9.19
    o-xylene 8.32
    formic acid 4.34
    diethyl ether 8.47
    m-xylene 8.8
    p-xylene 11.08
    chlorobenzene 34.9
    dimethyl carbonate 18.65
    n-octane 0.29
    formamide 12.38
    cyclopentanone 89.49
    2-pentanone 17.3
    anisole 24.49
    cyclopentyl methyl ether 29.55
    gamma-butyrolactone 94.49
    1-methoxy-2-propanol 15.6
    pyridine 82.29
    3-pentanone 16.31
    furfural 95.98
    n-dodecane 0.44
    diethylene glycol 21.53
    diisopropyl ether 2.96
    tert-amyl alcohol 4.2
    acetylacetone 42.76
    n-hexadecane 0.56
    acetophenone 26.69
    methyl propionate 19.23
    isopentyl acetate 17.99
    trichloroethylene 247.9
    n-nonanol 3.06
    cyclohexanol 6.77
    benzyl alcohol 17.62
    2-ethylhexanol 5.48
    isooctanol 3.57
    dipropyl ether 8.71
    1,2-dichlorobenzene 31.56
    ethyl lactate 9.79
    propylene carbonate 34.96
    n-methylformamide 17.49
    2-pentanol 2.14
    n-pentane 0.17
    1-propoxy-2-propanol 13.4
    1-methoxy-2-propyl acetate 27.61
    2-(2-methoxypropoxy) propanol 21.12
    mesitylene 4.65
    ε-caprolactone 37.9
    p-cymene 6.2
    epichlorohydrin 193.42
    1,1,1-trichloroethane 39.5
    2-aminoethanol 3.84
    morpholine-4-carbaldehyde 70.89
    sulfolane 122.48
    2,2,4-trimethylpentane 0.4
    2-methyltetrahydrofuran 44.83
    n-hexyl acetate 11.49
    isooctane 0.3
    2-(2-butoxyethoxy)ethanol 22.91
    sec-butyl acetate 12.05
    tert-butyl acetate 16.54
    decalin 1.23
    glycerin 7.79
    diglyme 63.19
    acrylic acid 13.47
    isopropyl myristate 6.68
    n-butyric acid 10.98
    acetyl acetate 17.84
    di(2-ethylhexyl) phthalate 9.05
    ethyl propionate 15.11
    nitromethane 56.73
    1,2-diethoxyethane 25.77
    benzonitrile 27.35
    trioctyl phosphate 5.01
    1-bromopropane 22.33
    gamma-valerolactone 98.07
    n-decanol 2.61
    triethyl phosphate 12.65
    4-methyl-2-pentanol 2.82
    propionitrile 12.08
    vinylene carbonate 36.52
    1,1,2-trichlorotrifluoroethane 72.29
    DMS 28.57
    cumene 5.88
    2-octanol 2.09
    2-hexanone 18.3
    octyl acetate 7.48
    limonene 7.18
    1,2-dimethoxyethane 48.41
    ethyl orthosilicate 11.19
    tributyl phosphate 7.88
    diacetone alcohol 20.26
    N,N-dimethylaniline 14.51
    acrylonitrile 25.85
    aniline 21.74
    1,3-propanediol 6.88
    bromobenzene 40.38
    dibromomethane 78.62
    1,1,2,2-tetrachloroethane 137.63
    2-methyl-cyclohexyl acetate 17.81
    tetrabutyl urea 11.85
    diisobutyl methanol 4.81
    2-phenylethanol 17.01
    styrene 12.25
    dioctyl adipate 12.99
    dimethyl sulfate 40.88
    ethyl butyrate 14.9
    methyl lactate 12.53
    butyl lactate 9.3
    diethyl carbonate 12.72
    propanediol butyl ether 8.03
    triethyl orthoformate 13.49
    p-tert-butyltoluene 5.27
    methyl 4-tert-butylbenzoate 19.53
    morpholine 54.15
    tert-butylamine 2.65
    n-dodecanol 2.33
    dimethoxymethane 40.46
    ethylene carbonate 26.16
    cyrene 24.27
    2-ethoxyethyl acetate 21.32
    2-ethylhexyl acetate 14.67
    1,2,4-trichlorobenzene 42.17
    4-methylpyridine 50.43
    dibutyl ether 7.73
    2,6-dimethyl-4-heptanol 4.81
    DEF 23.88
    dimethyl isosorbide 50.92
    tetrachloroethylene 69.11
    eugenol 21.38
    triacetin 20.4
    span 80 12.64
    1,4-butanediol 2.85
    1,1-dichloroethane 42.39
    2-methyl-1-pentanol 6.14
    methyl formate 20.31
    2-methyl-1-butanol 4.19
    n-decane 0.59
    butyronitrile 10.67
    3,7-dimethyl-1-octanol 4.37
    1-chlorooctane 3.47
    1-chlorotetradecane 2.01
    n-nonane 0.44
    undecane 0.5
    tert-butylcyclohexane 0.93
    cyclooctane 0.27
    cyclopentanol 10.26
    tetrahydropyran 33.71
    tert-amyl methyl ether 6.89
    2,5,8-trioxanonane 46.33
    1-hexene 2.5
    2-isopropoxyethanol 11.79
    2,2,2-trifluoroethanol 8.05
    methyl butyrate 19.89

    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