4'-Methoxyflavone

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  • Identifiers

    CAS number
    4143-74-2

    Molecular formula
    C16H12O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 77.26%
    Coumarinic 49.14%
    Phenolic 48.48%
    Floral 48.45%
    Powdery 44.88%
    Vanilla 39.39%
    Hay 37.9%
    Anisic 35.53%
    Balsamic 34.92%
    Aromatic 34.83%

     

    Flavor
    Bitter 85.95%
    Sweet 40.89%
    Balsam 35.34%
    Tonka 32.97%
    Balsamic 21.65%
    New mown hay 20.61%
    Naphthalic 20.18%
    Tarragon 20.18%
    Very strong 20.1%
    Anise 20.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    6.68 (neutral)

    Molecular weight
    252.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    443°C

    Flash point

    • 172.82 ˚C est.

  • Synonyms

    • 4'-Methoxyflavone
    • 4143-74-2
    • 2-(4-methoxyphenyl)chromen-4-one
    • 4H-1-Benzopyran-4-one, 2-(4-methoxyphenyl)-
    • DTXSID0063319
    • RefChem:506182
    • DTXCID7039915
    • 223-968-8
    • 2-(4-methoxyphenyl)-4H-chromen-4-one
    • MFCD00016934
    • 2-(4-Methoxy-phenyl)-chromen-4-one
    • CHEMBL16312
    • Flavone, 4'-methoxy-
    • SR-01000471678
    • 4' methoxyflavone
    • 4-Methoxy Flavone
    • 2-(4-Methoxyphenyl)-4-benzopyrone
    • 4''-methoxyflavone
    • 4'-methoxy flavone
    • EINECS 223-968-8
    • Flavone, 4'-methoxy
    • Spectrum_000114
    • Spectrum2_000774
    • Spectrum3_001269
    • Spectrum4_001629
    • Spectrum5_000417
    • CBMicro_029575
    • ChemDiv2_004185
    • 2-(4-Methoxyphenyl)-4H-1-benzopyran-4-one
    • Cambridge id 5324654
    • CBiol_000291
    • Oprea1_031095
    • Oprea1_274709
    • BSPBio_002838
    • KBioGR_002037
    • KBioSS_000554
    • SPECTRUM240958
    • cid_77793
    • MLS000863607
    • BIDD:ER0472
    • SCHEMBL311931
    • SPBio_000848
    • F0400-0028
    • MEGxp0_001873
    • orb1299092
    • SCHEMBL29573796
    • ACon1_002036
    • KBio2_000554
    • KBio2_003122
    • KBio2_005690
    • KBio3_002338
    • 4l10
    • CHEBI:114194
    • HMS1380O05
    • HMS2271I03
    • 2-(4-methoxyphenyl)-chromen-4-one
    • BDBM50310189
    • CCG-40164
    • ICCB2_000291
    • AKOS000603631
    • EBC-462072
    • FM67346
    • SDCCGMLS-0066544.P001
    • IDI1_002900
    • NCGC00095556-01
    • NCGC00095556-02
    • NCGC00095556-03
    • NCGC00178443-01
    • NCGC00178443-02
    • 2-(4-methoxy-phenyl)-4H-chromen-4-one
    • 2-(4-methoxyphenyl)-1-benzopyran-4-one
    • AS-56897
    • PD002073
    • SMR000440756
    • ST097422
    • SY234968
    • 4 inverted exclamation marka-Methoxyflavone
    • BIM-0029447.P001
    • 4 inverted exclamation mark -Methoxyflavone
    • DB-116308
    • HY-139054
    • CS-0179255
    • EU-0042497
    • M2887
    • NS00015829
    • T72446
    • AD-310/30361023
    • SR-01000471678-1
    • SR-01000471678-3
    • BRD-K76337122-001-02-9
    • BRD-K76337122-001-03-7
    • Q27195318
    • A63
    • 4143-74-2

  • Applications

    4'-Methoxyflavone is primarily used as an organic synthesis intermediate and building block in medicinal chemistry research. In pharmaceutical development, it serves as a precursor for flavonoid analogs and for structure-activity relationship (SAR) studies aimed at exploring biological activity. In industrial R&D laboratories, it is encountered as a reference compound for preparing flavone derivatives and as a starting material for further functionalization. Its role is generally that of a research chemical rather than a consumer-facing ingredient, and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.69
    methanol 1.49
    isopropanol 1.36
    water 0.0
    ethyl acetate 6.56
    n-propanol 2.01
    acetone 5.41
    n-butanol 2.1
    acetonitrile 5.31
    DMF 12.79
    toluene 8.02
    isobutanol 1.72
    1,4-dioxane 32.45
    methyl acetate 10.17
    THF 55.31
    2-butanone 9.46
    n-pentanol 2.55
    sec-butanol 2.04
    n-hexane 0.1
    ethylene glycol 1.16
    NMP 9.98
    cyclohexane 0.19
    DMSO 30.73
    n-butyl acetate 6.29
    n-octanol 0.98
    chloroform 29.73
    n-propyl acetate 8.36
    acetic acid 8.14
    dichloromethane 56.26
    cyclohexanone 15.06
    propylene glycol 1.33
    isopropyl acetate 5.85
    DMAc 27.01
    2-ethoxyethanol 11.95
    isopentanol 2.73
    n-heptane 0.26
    ethyl formate 4.21
    1,2-dichloroethane 39.3
    n-hexanol 2.17
    2-methoxyethanol 14.14
    isobutyl acetate 6.62
    tetrachloromethane 0.79
    n-pentyl acetate 4.0
    transcutol 120.02
    n-heptanol 1.49
    ethylbenzene 4.05
    MIBK 6.37
    2-propoxyethanol 11.67
    tert-butanol 2.85
    MTBE 4.4
    2-butoxyethanol 7.02
    propionic acid 4.38
    o-xylene 3.87
    formic acid 2.86
    diethyl ether 5.23
    m-xylene 3.17
    p-xylene 5.03
    chlorobenzene 8.65
    dimethyl carbonate 6.65
    n-octane 0.13
    formamide 8.58
    cyclopentanone 19.29
    2-pentanone 5.61
    anisole 14.2
    cyclopentyl methyl ether 9.87
    gamma-butyrolactone 24.86
    1-methoxy-2-propanol 9.32
    pyridine 35.84
    3-pentanone 6.11
    furfural 32.49
    n-dodecane 0.19
    diethylene glycol 12.38
    diisopropyl ether 1.98
    tert-amyl alcohol 2.81
    acetylacetone 14.57
    n-hexadecane 0.22
    acetophenone 13.87
    methyl propionate 6.44
    isopentyl acetate 8.52
    trichloroethylene 72.07
    n-nonanol 1.4
    cyclohexanol 3.16
    benzyl alcohol 9.28
    2-ethylhexanol 2.69
    isooctanol 1.76
    dipropyl ether 6.35
    1,2-dichlorobenzene 9.87
    ethyl lactate 4.76
    propylene carbonate 9.82
    n-methylformamide 5.25
    2-pentanol 1.59
    n-pentane 0.06
    1-propoxy-2-propanol 7.97
    1-methoxy-2-propyl acetate 15.14
    2-(2-methoxypropoxy) propanol 17.48
    mesitylene 1.92
    ε-caprolactone 14.13
    p-cymene 2.97
    epichlorohydrin 65.83
    1,1,1-trichloroethane 9.03
    2-aminoethanol 2.04
    morpholine-4-carbaldehyde 30.64
    sulfolane 28.39
    2,2,4-trimethylpentane 0.2
    2-methyltetrahydrofuran 17.24
    n-hexyl acetate 4.59
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 19.25
    sec-butyl acetate 7.16
    tert-butyl acetate 9.01
    decalin 0.43
    glycerin 4.83
    diglyme 58.9
    acrylic acid 6.23
    isopropyl myristate 3.63
    n-butyric acid 5.11
    acetyl acetate 7.86
    di(2-ethylhexyl) phthalate 4.72
    ethyl propionate 8.1
    nitromethane 21.07
    1,2-diethoxyethane 26.61
    benzonitrile 9.9
    trioctyl phosphate 2.19
    1-bromopropane 7.37
    gamma-valerolactone 35.39
    n-decanol 1.26
    triethyl phosphate 7.87
    4-methyl-2-pentanol 1.72
    propionitrile 5.15
    vinylene carbonate 11.85
    1,1,2-trichlorotrifluoroethane 26.35
    DMS 12.66
    cumene 2.93
    2-octanol 0.94
    2-hexanone 8.36
    octyl acetate 3.43
    limonene 3.18
    1,2-dimethoxyethane 33.49
    ethyl orthosilicate 7.49
    tributyl phosphate 3.76
    diacetone alcohol 10.3
    N,N-dimethylaniline 8.74
    acrylonitrile 10.05
    aniline 8.98
    1,3-propanediol 4.32
    bromobenzene 9.19
    dibromomethane 19.53
    1,1,2,2-tetrachloroethane 39.58
    2-methyl-cyclohexyl acetate 9.71
    tetrabutyl urea 5.32
    diisobutyl methanol 2.83
    2-phenylethanol 8.31
    styrene 5.37
    dioctyl adipate 8.0
    dimethyl sulfate 13.28
    ethyl butyrate 8.95
    methyl lactate 4.96
    butyl lactate 4.36
    diethyl carbonate 8.02
    propanediol butyl ether 4.83
    triethyl orthoformate 9.84
    p-tert-butyltoluene 2.66
    methyl 4-tert-butylbenzoate 11.24
    morpholine 28.8
    tert-butylamine 1.42
    n-dodecanol 1.15
    dimethoxymethane 17.34
    ethylene carbonate 8.21
    cyrene 13.93
    2-ethoxyethyl acetate 12.85
    2-ethylhexyl acetate 6.61
    1,2,4-trichlorobenzene 14.24
    4-methylpyridine 18.01
    dibutyl ether 5.01
    2,6-dimethyl-4-heptanol 2.83
    DEF 9.14
    dimethyl isosorbide 35.78
    tetrachloroethylene 19.9
    eugenol 12.22
    triacetin 13.68
    span 80 8.73
    1,4-butanediol 1.92
    1,1-dichloroethane 10.23
    2-methyl-1-pentanol 3.86
    methyl formate 5.61
    2-methyl-1-butanol 2.45
    n-decane 0.25
    butyronitrile 4.16
    3,7-dimethyl-1-octanol 2.24
    1-chlorooctane 1.21
    1-chlorotetradecane 0.79
    n-nonane 0.18
    undecane 0.21
    tert-butylcyclohexane 0.39
    cyclooctane 0.09
    cyclopentanol 3.36
    tetrahydropyran 14.88
    tert-amyl methyl ether 4.37
    2,5,8-trioxanonane 42.56
    1-hexene 1.07
    2-isopropoxyethanol 8.87
    2,2,2-trifluoroethanol 3.57
    methyl butyrate 9.13

    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