7-Methoxyflavone

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  • Identifiers

    CAS number
    22395-22-8

    Molecular formula
    C16H12O3

    SMILES
    COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3

    Safety labels

  • Odor profile

    Fragrance
    Sweet 68.96%
    Floral 44.61%
    Coumarinic 42.3%
    Powdery 42.08%
    Phenolic 42.01%
    Fruity 38.26%
    Balsamic 36.71%
    Vanilla 36.26%
    Hay 30.94%
    Aromatic 30.92%

     

    Flavor
    Bitter 86.11%
    Balsam 31.63%
    Sweet 27.61%
    Tonka 26.35%
    Very strong 19.93%
    Tarragon 19.91%
    Aniseed 19.78%
    Lovage 19.75%
    Moth ball 19.69%
    Naphthelene 19.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.24 (neutral)

    Molecular weight
    252.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    444°C

    Flash point

    • 172.17 ˚C est.

  • Synonyms

    • 7-Methoxyflavone
    • 22395-22-8
    • 7-methoxy-2-phenylchromen-4-one
    • 7-Methoxy-2-phenylchromone
    • XK561AP5UR
    • 7-Methoxy-2-phenyl-4H-benzopyran-4-one
    • NSC-741744
    • DTXSID80332790
    • RefChem:914370
    • DTXCID70283883
    • 7-methoxy-2-phenyl-4H-chromen-4-one
    • 7-Methoxy-2-phenyl-chromen-4-one
    • Flavone, 7-methoxy-
    • MFCD00017462
    • UNII-XK561AP5UR
    • 7-Methoxy Flavone
    • Oprea1_076281
    • BIDD:ER0421
    • CHEMBL16782
    • F3385-6145
    • MEGxp0_001706
    • orb1299394
    • SCHEMBL1373009
    • ACon1_000207
    • 7-METHOXYFLAVONE [VANDF]
    • CHEBI:192603
    • HY-N8487
    • BDBM50591918
    • LMPK12110021
    • NSC741744
    • SBB062789
    • STL100263
    • AKOS001617181
    • CCG-106707
    • DS-4825
    • EBC-617672
    • FM68014
    • MB00278
    • NSC 741744
    • NCGC00180781-01
    • NCGC00180781-02
    • PD143277
    • DB-045897
    • CS-0144725
    • EU-0071703
    • M1423
    • NS00015828
    • ST50319459
    • D70148
    • AB00133543-03
    • F242969
    • SR-01000434441
    • A1-00200
    • SR-01000434441-1
    • BRD-K00654887-001-01-5
    • Q27293878
    • InChI=1/C16H12O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-10H,1H
    • 22395-22-8

  • Applications

    7-Methoxyflavone (CAS 22395-22-8) primarily serves as a synthetic building block and precursor for flavone derivatives in medicinal chemistry and agrochemical research; it is used as an intermediate to assemble flavonoid libraries and to probe biological activity in drug discovery contexts; it is also used as a reference reagent and a scaffold for organic synthesis and chemical biology investigations; in cosmetics and personal care, it is commonly evaluated as a flavone scaffold for formulation studies and formulation-property research; in materials science, polymers, and coatings, it may be explored as a precursor for derivative synthesis or as a scaffold with UV-absorbing/antioxidant characteristics in polymer formulations; in academic settings it functions as a model compound for method development and SAR studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.89
    methanol 2.33
    isopropanol 1.7
    water 0.0
    ethyl acetate 11.49
    n-propanol 2.94
    acetone 13.97
    n-butanol 2.62
    acetonitrile 10.21
    DMF 41.46
    toluene 14.37
    isobutanol 2.44
    1,4-dioxane 43.9
    methyl acetate 20.52
    THF 92.82
    2-butanone 19.71
    n-pentanol 2.68
    sec-butanol 2.34
    n-hexane 0.1
    ethylene glycol 2.63
    NMP 42.45
    cyclohexane 0.3
    DMSO 83.06
    n-butyl acetate 9.71
    n-octanol 0.85
    chloroform 80.92
    n-propyl acetate 10.86
    acetic acid 14.31
    dichloromethane 127.85
    cyclohexanone 31.12
    propylene glycol 2.85
    isopropyl acetate 9.2
    DMAc 76.47
    2-ethoxyethanol 15.54
    isopentanol 3.58
    n-heptane 0.18
    ethyl formate 7.24
    1,2-dichloroethane 94.84
    n-hexanol 2.34
    2-methoxyethanol 24.96
    isobutyl acetate 8.08
    tetrachloromethane 1.67
    n-pentyl acetate 4.37
    transcutol 147.55
    n-heptanol 1.32
    ethylbenzene 5.58
    MIBK 9.04
    2-propoxyethanol 15.43
    tert-butanol 3.56
    MTBE 5.82
    2-butoxyethanol 7.72
    propionic acid 8.81
    o-xylene 6.18
    formic acid 5.14
    diethyl ether 7.09
    m-xylene 4.98
    p-xylene 6.71
    chlorobenzene 21.45
    dimethyl carbonate 15.11
    n-octane 0.07
    formamide 15.52
    cyclopentanone 51.86
    2-pentanone 9.93
    anisole 22.56
    cyclopentyl methyl ether 18.23
    gamma-butyrolactone 61.52
    1-methoxy-2-propanol 14.94
    pyridine 64.61
    3-pentanone 10.83
    furfural 68.62
    n-dodecane 0.11
    diethylene glycol 18.79
    diisopropyl ether 2.21
    tert-amyl alcohol 3.57
    acetylacetone 28.21
    n-hexadecane 0.14
    acetophenone 21.67
    methyl propionate 13.69
    isopentyl acetate 12.01
    trichloroethylene 188.27
    n-nonanol 1.14
    cyclohexanol 4.63
    benzyl alcohol 14.95
    2-ethylhexanol 2.76
    isooctanol 1.6
    dipropyl ether 5.88
    1,2-dichlorobenzene 20.94
    ethyl lactate 7.47
    propylene carbonate 22.62
    n-methylformamide 13.6
    2-pentanol 1.7
    n-pentane 0.07
    1-propoxy-2-propanol 10.46
    1-methoxy-2-propyl acetate 23.54
    2-(2-methoxypropoxy) propanol 21.13
    mesitylene 2.61
    ε-caprolactone 26.62
    p-cymene 3.65
    epichlorohydrin 148.53
    1,1,1-trichloroethane 22.07
    2-aminoethanol 4.08
    morpholine-4-carbaldehyde 66.94
    sulfolane 82.46
    2,2,4-trimethylpentane 0.24
    2-methyltetrahydrofuran 30.1
    n-hexyl acetate 5.22
    isooctane 0.14
    2-(2-butoxyethoxy)ethanol 22.06
    sec-butyl acetate 9.07
    tert-butyl acetate 13.45
    decalin 0.53
    glycerin 9.38
    diglyme 72.72
    acrylic acid 13.75
    isopropyl myristate 3.59
    n-butyric acid 8.0
    acetyl acetate 13.71
    di(2-ethylhexyl) phthalate 5.73
    ethyl propionate 11.13
    nitromethane 49.99
    1,2-diethoxyethane 27.28
    benzonitrile 16.99
    trioctyl phosphate 2.44
    1-bromopropane 14.36
    gamma-valerolactone 72.54
    n-decanol 0.98
    triethyl phosphate 10.59
    4-methyl-2-pentanol 1.91
    propionitrile 8.61
    vinylene carbonate 23.86
    1,1,2-trichlorotrifluoroethane 63.33
    DMS 20.27
    cumene 3.48
    2-octanol 0.74
    2-hexanone 10.69
    octyl acetate 3.63
    limonene 4.2
    1,2-dimethoxyethane 41.05
    ethyl orthosilicate 9.07
    tributyl phosphate 4.59
    diacetone alcohol 15.65
    N,N-dimethylaniline 12.43
    acrylonitrile 18.53
    aniline 18.72
    1,3-propanediol 6.65
    bromobenzene 22.19
    dibromomethane 48.17
    1,1,2,2-tetrachloroethane 110.93
    2-methyl-cyclohexyl acetate 12.57
    tetrabutyl urea 6.46
    diisobutyl methanol 2.8
    2-phenylethanol 11.86
    styrene 8.42
    dioctyl adipate 9.26
    dimethyl sulfate 33.88
    ethyl butyrate 10.94
    methyl lactate 10.86
    butyl lactate 5.64
    diethyl carbonate 10.59
    propanediol butyl ether 6.18
    triethyl orthoformate 11.62
    p-tert-butyltoluene 3.25
    methyl 4-tert-butylbenzoate 14.33
    morpholine 48.12
    tert-butylamine 1.7
    n-dodecanol 0.88
    dimethoxymethane 31.31
    ethylene carbonate 16.3
    cyrene 19.97
    2-ethoxyethyl acetate 15.78
    2-ethylhexyl acetate 9.49
    1,2,4-trichlorobenzene 31.78
    4-methylpyridine 37.96
    dibutyl ether 4.02
    2,6-dimethyl-4-heptanol 2.8
    DEF 18.44
    dimethyl isosorbide 46.51
    tetrachloroethylene 47.14
    eugenol 15.16
    triacetin 17.13
    span 80 10.48
    1,4-butanediol 2.45
    1,1-dichloroethane 26.29
    2-methyl-1-pentanol 4.27
    methyl formate 13.26
    2-methyl-1-butanol 3.25
    n-decane 0.15
    butyronitrile 6.12
    3,7-dimethyl-1-octanol 2.04
    1-chlorooctane 0.97
    1-chlorotetradecane 0.64
    n-nonane 0.11
    undecane 0.13
    tert-butylcyclohexane 0.42
    cyclooctane 0.1
    cyclopentanol 6.0
    tetrahydropyran 23.37
    tert-amyl methyl ether 5.91
    2,5,8-trioxanonane 51.42
    1-hexene 1.13
    2-isopropoxyethanol 10.54
    2,2,2-trifluoroethanol 6.56
    methyl butyrate 13.28

    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