2'-Methoxyflavone

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  • Identifiers

    CAS number
    19725-47-4

    Molecular formula
    C16H12O3

    SMILES
    COC1=CC=CC=C1C2=CC(=O)C3=CC=CC=C3O2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 66.96%
    Phenolic 47.14%
    Coumarinic 43.57%
    Powdery 39.38%
    Floral 38.32%
    Vanilla 34.53%
    Balsamic 33.34%
    Hay 32.54%
    Aromatic 32.22%
    Tobacco 29.98%

     

    Flavor
    Bitter 85.55%
    Balsam 31.07%
    Sweet 30.76%
    Tonka 28.52%
    Herbal 22.69%
    Very strong 20.21%
    Moth ball 20.13%
    Tarragon 20.11%
    Aniseed 19.91%
    Naphthelene 19.88%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.01 (neutral)

    Molecular weight
    252.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    429°C

    Flash point

    • 165.4 ˚C est.

  • Synonyms

    • 2'-Methoxyflavone
    • 19725-47-4
    • 2-(2-methoxyphenyl)chromen-4-one
    • DTXSID10173390
    • RefChem:1058635
    • DTXCID0095881
    • 2-(2-methoxyphenyl)-4H-chromen-4-one
    • 4H-1-Benzopyran-4-one, 2-(2-methoxyphenyl)-
    • MFCD00016923
    • ST056003
    • 2-(2-Methoxyphenyl)-4H-1-benzopyran-4-one
    • TimTec1_004008
    • Oprea1_144889
    • BIDD:ER0404
    • SCHEMBL253522
    • CHEMBL147722
    • MEGxp0_001703
    • orb1297138
    • ACon1_000015
    • CHEBI:191002
    • BDBM150759
    • HMS1545G04
    • HY-N8822
    • EBC-65153
    • SBB005966
    • 2-(2-Methoxy-phenyl)-chromen-4-one
    • AKOS024282390
    • FM67453
    • NCGC00168873-01
    • DA-69804
    • TS-10134
    • CS-0149131
    • NS00015833
    • 2-(2-Methoxyphenyl)-4H-chromen-4-one (3g)
    • EN300-189005
    • G29187
    • BRD-K90855424-001-01-9
    • BRD-K90855424-001-02-7
    • Z1833628185
    • 19725-47-4

  • Applications

    2'-Methoxyflavone (CAS 19725-47-4) is primarily used as a chemical intermediate and building block in the synthesis of flavonoid-based pharmaceuticals and agrochemicals; it is employed in medicinal chemistry workflows to generate flavone derivatives. In research settings it is used as a reference substrate for studying the biological activities of methoxylated flavones, including antioxidant and anti-inflammatory effects. It can serve as a starting material for analytical method development and as a reference standard for flavonoid analysis. In cosmetics and personal care research, it may be evaluated for cosmetic formulation applications. It may also be encountered as an intermediate in polymer-related syntheses or coatings/inks involving flavone scaffolds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.95
    methanol 2.56
    isopropanol 2.0
    water 0.0
    ethyl acetate 19.48
    n-propanol 3.11
    acetone 27.97
    n-butanol 3.32
    acetonitrile 13.36
    DMF 76.35
    toluene 23.96
    isobutanol 3.17
    1,4-dioxane 53.48
    methyl acetate 30.08
    THF 136.92
    2-butanone 27.89
    n-pentanol 3.66
    sec-butanol 2.71
    n-hexane 0.5
    ethylene glycol 2.03
    NMP 95.26
    cyclohexane 1.19
    DMSO 88.75
    n-butyl acetate 17.99
    n-octanol 2.27
    chloroform 127.68
    n-propyl acetate 18.92
    acetic acid 18.68
    dichloromethane 199.38
    cyclohexanone 59.92
    propylene glycol 1.6
    isopropyl acetate 15.05
    DMAc 97.01
    2-ethoxyethanol 14.24
    isopentanol 5.19
    n-heptane 0.74
    ethyl formate 11.87
    1,2-dichloroethane 145.8
    n-hexanol 4.58
    2-methoxyethanol 20.27
    isobutyl acetate 13.71
    tetrachloromethane 4.58
    n-pentyl acetate 10.89
    transcutol 107.61
    n-heptanol 2.92
    ethylbenzene 10.63
    MIBK 16.27
    2-propoxyethanol 19.11
    tert-butanol 4.85
    MTBE 9.09
    2-butoxyethanol 11.32
    propionic acid 11.42
    o-xylene 11.93
    formic acid 5.5
    diethyl ether 12.34
    m-xylene 10.68
    p-xylene 13.06
    chlorobenzene 37.54
    dimethyl carbonate 23.67
    n-octane 0.33
    formamide 16.33
    cyclopentanone 101.38
    2-pentanone 18.98
    anisole 28.96
    cyclopentyl methyl ether 36.68
    gamma-butyrolactone 112.77
    1-methoxy-2-propanol 13.78
    pyridine 78.48
    3-pentanone 20.91
    furfural 102.81
    n-dodecane 0.37
    diethylene glycol 18.08
    diisopropyl ether 4.43
    tert-amyl alcohol 5.12
    acetylacetone 47.46
    n-hexadecane 0.47
    acetophenone 31.03
    methyl propionate 22.68
    isopentyl acetate 19.7
    trichloroethylene 277.76
    n-nonanol 2.76
    cyclohexanol 7.62
    benzyl alcohol 18.19
    2-ethylhexanol 5.55
    isooctanol 3.38
    dipropyl ether 11.16
    1,2-dichlorobenzene 37.0
    ethyl lactate 10.21
    propylene carbonate 38.79
    n-methylformamide 19.82
    2-pentanol 2.6
    n-pentane 0.33
    1-propoxy-2-propanol 13.55
    1-methoxy-2-propyl acetate 30.59
    2-(2-methoxypropoxy) propanol 22.29
    mesitylene 6.02
    ε-caprolactone 46.04
    p-cymene 7.2
    epichlorohydrin 197.5
    1,1,1-trichloroethane 43.84
    2-aminoethanol 3.1
    morpholine-4-carbaldehyde 89.27
    sulfolane 142.98
    2,2,4-trimethylpentane 0.63
    2-methyltetrahydrofuran 49.8
    n-hexyl acetate 12.03
    isooctane 0.41
    2-(2-butoxyethoxy)ethanol 23.37
    sec-butyl acetate 14.66
    tert-butyl acetate 19.97
    decalin 1.59
    glycerin 6.41
    diglyme 72.74
    acrylic acid 17.6
    isopropyl myristate 6.89
    n-butyric acid 12.34
    acetyl acetate 22.46
    di(2-ethylhexyl) phthalate 9.28
    ethyl propionate 18.95
    nitromethane 65.82
    1,2-diethoxyethane 30.78
    benzonitrile 25.82
    trioctyl phosphate 4.85
    1-bromopropane 26.83
    gamma-valerolactone 113.75
    n-decanol 2.27
    triethyl phosphate 16.02
    4-methyl-2-pentanol 3.32
    propionitrile 12.27
    vinylene carbonate 42.71
    1,1,2-trichlorotrifluoroethane 76.59
    DMS 34.42
    cumene 6.99
    2-octanol 2.01
    2-hexanone 19.01
    octyl acetate 7.49
    limonene 8.69
    1,2-dimethoxyethane 49.3
    ethyl orthosilicate 14.27
    tributyl phosphate 8.29
    diacetone alcohol 21.46
    N,N-dimethylaniline 18.7
    acrylonitrile 27.5
    aniline 24.54
    1,3-propanediol 5.83
    bromobenzene 41.01
    dibromomethane 87.85
    1,1,2,2-tetrachloroethane 152.28
    2-methyl-cyclohexyl acetate 19.84
    tetrabutyl urea 11.61
    diisobutyl methanol 5.18
    2-phenylethanol 16.93
    styrene 14.59
    dioctyl adipate 14.28
    dimethyl sulfate 52.68
    ethyl butyrate 18.0
    methyl lactate 12.56
    butyl lactate 9.84
    diethyl carbonate 16.11
    propanediol butyl ether 7.74
    triethyl orthoformate 17.0
    p-tert-butyltoluene 6.23
    methyl 4-tert-butylbenzoate 22.58
    morpholine 51.07
    tert-butylamine 2.91
    n-dodecanol 1.96
    dimethoxymethane 42.35
    ethylene carbonate 29.97
    cyrene 27.68
    2-ethoxyethyl acetate 25.55
    2-ethylhexyl acetate 16.27
    1,2,4-trichlorobenzene 48.39
    4-methylpyridine 52.45
    dibutyl ether 8.06
    2,6-dimethyl-4-heptanol 5.18
    DEF 32.5
    dimethyl isosorbide 56.66
    tetrachloroethylene 84.21
    eugenol 21.72
    triacetin 25.94
    span 80 13.61
    1,4-butanediol 2.53
    1,1-dichloroethane 47.31
    2-methyl-1-pentanol 6.21
    methyl formate 22.08
    2-methyl-1-butanol 4.48
    n-decane 0.55
    butyronitrile 9.41
    3,7-dimethyl-1-octanol 3.99
    1-chlorooctane 3.17
    1-chlorotetradecane 1.67
    n-nonane 0.44
    undecane 0.44
    tert-butylcyclohexane 1.24
    cyclooctane 0.43
    cyclopentanol 10.61
    tetrahydropyran 37.02
    tert-amyl methyl ether 9.81
    2,5,8-trioxanonane 49.47
    1-hexene 3.57
    2-isopropoxyethanol 11.87
    2,2,2-trifluoroethanol 11.45
    methyl butyrate 22.47

    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