3-Methoxyflavone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    7245-02-5

    Molecular formula
    C16H12O3

    SMILES
    COC1=C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3

    Safety labels

  • Odor profile

    Fragrance
    Fruity 59.4%
    Sweet 56.52%
    Floral 43.42%
    Phenolic 39.67%
    Powdery 36.71%
    Berry 34.6%
    Vanilla 32.38%
    Balsamic 30.91%
    Burnt 29.98%
    Spicy 29.75%

     

    Flavor
    Bitter 86.66%
    Sweet 24.64%
    Balsam 24.3%
    Tonka 23.11%
    Very strong 20.69%
    Lovage 20.47%
    Naphthalic 20.29%
    Indole 20.19%
    Moth ball 20.18%
    Tarragon 20.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.06 (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

    • 162.15 ˚C est.

  • Synonyms

    • 3-Methoxyflavone
    • 7245-02-5
    • 3-methoxy-2-phenylchromen-4-one
    • 4H-1-Benzopyran-4-one, 3-methoxy-2-phenyl-
    • V3ZW15O8B6
    • 3-Methoxy-2-phenyl-4H-1-benzopyran-4-one
    • DTXSID10222751
    • RefChem:911487
    • DTXCID40145242
    • 3-methoxy-2-phenyl-4H-chromen-4-one
    • 3-Methoxy-2-phenyl-chromen-4-one
    • MFCD00017612
    • CHEMBL144625
    • 3-Methoxyflavon
    • UNII-V3ZW15O8B6
    • Oprea1_109952
    • FLAVONE, 3-METHOXY-
    • SCHEMBL253523
    • orb1299316
    • SCHEMBL29993383
    • ZAIANDVQAMEDFL-UHFFFAOYSA-N
    • HY-N9499
    • BDBM50439849
    • STL513179
    • AKOS015916540
    • CCG-250410
    • EBC-615730
    • FM67113
    • AS-56785
    • PD158827
    • DB-055637
    • CS-0181942
    • M2364
    • NS00015826
    • ST50319461
    • T72880
    • F624272
    • Q27291507
    • InChI=1/C16H12O3/c1-18-16-14(17)12-9-5-6-10-13(12)19-15(16)11-7-3-2-4-8-11/h2-10H,1H
    • 7245-02-5

  • Applications

    3-Methoxyflavone (CAS 7245-02-5) is primarily used as a synthetic intermediate and building block for the preparation of flavonoid derivatives in pharmaceutical research and chemical manufacturing. It is commonly employed as a reference standard or analytical reagent in flavonoid methods (HPLC/LC-MS) for research and quality control. In cosmetics and personal care, it may be evaluated as a potential antioxidant component in formulations, subject to formulation limits. In materials science, it can serve as a precursor for functionalized flavonoid derivatives used in specialty polymers or coatings research. It is also used as a research reagent in academic studies examining structure-activity relationships of flavonoids.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.16
    methanol 4.16
    isopropanol 4.62
    water 0.01
    ethyl acetate 20.93
    n-propanol 6.65
    acetone 36.71
    n-butanol 6.27
    acetonitrile 16.51
    DMF 79.03
    toluene 23.4
    isobutanol 6.12
    1,4-dioxane 49.56
    methyl acetate 29.5
    THF 92.94
    2-butanone 35.16
    n-pentanol 7.46
    sec-butanol 5.41
    n-hexane 0.94
    ethylene glycol 2.29
    NMP 70.35
    cyclohexane 3.44
    DMSO 36.34
    n-butyl acetate 22.12
    n-octanol 9.04
    chloroform 101.51
    n-propyl acetate 22.26
    acetic acid 24.53
    dichloromethane 142.62
    cyclohexanone 68.41
    propylene glycol 1.75
    isopropyl acetate 14.4
    DMAc 67.58
    2-ethoxyethanol 15.95
    isopentanol 7.89
    n-heptane 1.99
    ethyl formate 22.51
    1,2-dichloroethane 120.73
    n-hexanol 10.62
    2-methoxyethanol 21.96
    isobutyl acetate 16.56
    tetrachloromethane 6.78
    n-pentyl acetate 23.61
    transcutol 70.04
    n-heptanol 10.43
    ethylbenzene 14.5
    MIBK 17.04
    2-propoxyethanol 21.66
    tert-butanol 6.65
    MTBE 8.19
    2-butoxyethanol 22.8
    propionic acid 13.0
    o-xylene 13.49
    formic acid 6.93
    diethyl ether 12.08
    m-xylene 12.55
    p-xylene 19.3
    chlorobenzene 43.36
    dimethyl carbonate 18.81
    n-octane 1.62
    formamide 19.36
    cyclopentanone 90.91
    2-pentanone 22.73
    anisole 23.56
    cyclopentyl methyl ether 26.2
    gamma-butyrolactone 98.76
    1-methoxy-2-propanol 13.67
    pyridine 103.72
    3-pentanone 22.39
    furfural 109.65
    n-dodecane 1.44
    diethylene glycol 17.27
    diisopropyl ether 4.21
    tert-amyl alcohol 6.84
    acetylacetone 37.6
    n-hexadecane 1.73
    acetophenone 34.36
    methyl propionate 22.41
    isopentyl acetate 22.91
    trichloroethylene 238.79
    n-nonanol 9.81
    cyclohexanol 11.67
    benzyl alcohol 23.31
    2-ethylhexanol 10.12
    isooctanol 9.86
    dipropyl ether 11.12
    1,2-dichlorobenzene 43.08
    ethyl lactate 10.04
    propylene carbonate 42.67
    n-methylformamide 24.99
    2-pentanol 4.28
    n-pentane 0.89
    1-propoxy-2-propanol 14.1
    1-methoxy-2-propyl acetate 23.35
    2-(2-methoxypropoxy) propanol 21.39
    mesitylene 7.4
    ε-caprolactone 51.15
    p-cymene 9.89
    epichlorohydrin 148.84
    1,1,1-trichloroethane 43.16
    2-aminoethanol 4.04
    morpholine-4-carbaldehyde 63.61
    sulfolane 85.03
    2,2,4-trimethylpentane 0.88
    2-methyltetrahydrofuran 43.78
    n-hexyl acetate 26.21
    isooctane 0.6
    2-(2-butoxyethoxy)ethanol 29.67
    sec-butyl acetate 14.06
    tert-butyl acetate 15.85
    decalin 2.49
    glycerin 5.32
    diglyme 78.17
    acrylic acid 19.65
    isopropyl myristate 10.54
    n-butyric acid 17.93
    acetyl acetate 18.61
    di(2-ethylhexyl) phthalate 13.37
    ethyl propionate 17.25
    nitromethane 62.58
    1,2-diethoxyethane 28.96
    benzonitrile 37.47
    trioctyl phosphate 8.58
    1-bromopropane 27.99
    gamma-valerolactone 103.64
    n-decanol 7.65
    triethyl phosphate 12.12
    4-methyl-2-pentanol 4.48
    propionitrile 16.56
    vinylene carbonate 49.4
    1,1,2-trichlorotrifluoroethane 67.81
    DMS 31.23
    cumene 10.37
    2-octanol 7.46
    2-hexanone 23.43
    octyl acetate 13.4
    limonene 11.1
    1,2-dimethoxyethane 50.0
    ethyl orthosilicate 11.49
    tributyl phosphate 10.75
    diacetone alcohol 20.31
    N,N-dimethylaniline 17.14
    acrylonitrile 32.78
    aniline 23.28
    1,3-propanediol 7.8
    bromobenzene 44.29
    dibromomethane 71.22
    1,1,2,2-tetrachloroethane 133.58
    2-methyl-cyclohexyl acetate 20.34
    tetrabutyl urea 16.61
    diisobutyl methanol 6.89
    2-phenylethanol 28.03
    styrene 17.07
    dioctyl adipate 18.23
    dimethyl sulfate 30.22
    ethyl butyrate 18.2
    methyl lactate 10.73
    butyl lactate 15.53
    diethyl carbonate 14.16
    propanediol butyl ether 13.82
    triethyl orthoformate 14.04
    p-tert-butyltoluene 7.97
    methyl 4-tert-butylbenzoate 29.1
    morpholine 47.37
    tert-butylamine 4.15
    n-dodecanol 6.07
    dimethoxymethane 39.38
    ethylene carbonate 35.78
    cyrene 27.76
    2-ethoxyethyl acetate 33.69
    2-ethylhexyl acetate 19.31
    1,2,4-trichlorobenzene 50.76
    4-methylpyridine 54.27
    dibutyl ether 14.57
    2,6-dimethyl-4-heptanol 6.89
    DEF 31.74
    dimethyl isosorbide 48.4
    tetrachloroethylene 95.11
    eugenol 30.8
    triacetin 27.03
    span 80 16.97
    1,4-butanediol 3.71
    1,1-dichloroethane 45.04
    2-methyl-1-pentanol 10.21
    methyl formate 30.03
    2-methyl-1-butanol 7.29
    n-decane 2.36
    butyronitrile 14.24
    3,7-dimethyl-1-octanol 8.89
    1-chlorooctane 9.99
    1-chlorotetradecane 4.4
    n-nonane 2.03
    undecane 1.8
    tert-butylcyclohexane 1.77
    cyclooctane 1.32
    cyclopentanol 14.32
    tetrahydropyran 40.41
    tert-amyl methyl ether 7.84
    2,5,8-trioxanonane 49.16
    1-hexene 5.31
    2-isopropoxyethanol 13.56
    2,2,2-trifluoroethanol 10.7
    methyl butyrate 25.94

    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