7-Methoxy-2-methylisoflavone

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  • Identifiers

    CAS number
    19725-44-1

    Molecular formula
    C17H14O3

    SMILES
    CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC)C3=CC=CC=C3

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Sweet 54.76%
    Floral 45.17%
    Phenolic 45.13%
    Powdery 38.25%
    Fruity 36.17%
    Spicy 32.23%
    Animal 31.43%
    Coumarinic 30.57%
    Vanilla 29.32%
    Balsamic 28.4%

     

    Flavor
    Bitter 88.62%
    Lovage 19.9%
    Parsley 19.89%
    Very strong 19.88%
    Indole 19.61%
    Cedarleaf 19.51%
    Ripe apricot 19.08%
    Nitrile 19.04%
    Tarragon 19.01%
    Curry 18.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    6.98 (neutral)

    Molecular weight
    266.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    579°C

    Melting point expt.

    • 142 - 143 °C

    Flash point

    • 174.88 ˚C est.

  • Synonyms

    • 19725-44-1
    • 7-Methoxy-2-methylisoflavone
    • RefChem:1074464
    • 7-Methoxy-2-methyl-3-phenyl-4H-chromen-4-one
    • 7-methoxy-2-methyl-3-phenylchromen-4-one
    • 4H-1-benzopyran-4-one, 7-methoxy-2-methyl-3-phenyl-
    • 7-Methoxy-2-methyl-3-phenyl-chromen-4-one
    • NSC605906
    • NSC-605906
    • SMR000148090
    • X7Z45MQY6S
    • Oprea1_144261
    • Oprea1_185553
    • 2-Methyl-7-methoxyisoflavone
    • MLS000556973
    • MLS001048849
    • F0758-0028
    • SCHEMBL3204569
    • CHEMBL1322285
    • DTXSID50326626
    • CHEBI:172507
    • HMS2424B14
    • UAA72544
    • LMPK12050002
    • MFCD00597215
    • STK967940
    • AKOS002183215
    • EBC-618311
    • NCGC00284565-01
    • SY146299
    • CS-0223938
    • ST50071001
    • EN300-117117
    • G59124
    • AB00460276-08
    • F646117
    • 7-Methoxy-2-methyl-3-phenyl-4H-1-benzopyran-4-one
    • Z275254240
    • 19725-44-1

  • Applications

    Chemical name: 7-Methoxy-2-methylisoflavone; CAS number: 19725-44-1 is used primarily as an organic synthesis intermediate and as a building block for isoflavone derivatives in medicinal chemistry; it is commonly evaluated as a scaffold for pharmaceutical lead discovery in drug research; furthermore, it may serve as a precursor for functional materials in polymers/plastics or coatings via chemical modification; it is also employed as a research reagent in drug-discovery programs and compound libraries, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.33
    methanol 4.13
    isopropanol 2.81
    water 0.0
    ethyl acetate 14.13
    n-propanol 4.98
    acetone 22.27
    n-butanol 4.45
    acetonitrile 11.91
    DMF 66.69
    toluene 18.98
    isobutanol 4.55
    1,4-dioxane 57.18
    methyl acetate 24.52
    THF 117.05
    2-butanone 24.83
    n-pentanol 5.23
    sec-butanol 3.25
    n-hexane 0.31
    ethylene glycol 2.16
    NMP 79.96
    cyclohexane 0.95
    DMSO 67.71
    n-butyl acetate 14.21
    n-octanol 2.61
    chloroform 126.28
    n-propyl acetate 16.67
    acetic acid 17.38
    dichloromethane 187.35
    cyclohexanone 54.36
    propylene glycol 1.77
    isopropyl acetate 10.57
    DMAc 76.83
    2-ethoxyethanol 16.05
    isopentanol 5.73
    n-heptane 0.43
    ethyl formate 11.81
    1,2-dichloroethane 122.48
    n-hexanol 5.48
    2-methoxyethanol 23.4
    isobutyl acetate 13.5
    tetrachloromethane 3.86
    n-pentyl acetate 9.71
    transcutol 70.03
    n-heptanol 3.58
    ethylbenzene 8.01
    MIBK 12.85
    2-propoxyethanol 21.31
    tert-butanol 5.02
    MTBE 6.27
    2-butoxyethanol 12.62
    propionic acid 11.48
    o-xylene 7.98
    formic acid 5.19
    diethyl ether 8.71
    m-xylene 7.83
    p-xylene 10.87
    chlorobenzene 31.88
    dimethyl carbonate 17.17
    n-octane 0.24
    formamide 13.23
    cyclopentanone 77.62
    2-pentanone 15.61
    anisole 21.54
    cyclopentyl methyl ether 28.93
    gamma-butyrolactone 87.31
    1-methoxy-2-propanol 13.9
    pyridine 75.2
    3-pentanone 16.21
    furfural 87.49
    n-dodecane 0.33
    diethylene glycol 20.08
    diisopropyl ether 2.57
    tert-amyl alcohol 4.56
    acetylacetone 31.94
    n-hexadecane 0.41
    acetophenone 24.38
    methyl propionate 18.71
    isopentyl acetate 15.98
    trichloroethylene 222.1
    n-nonanol 3.14
    cyclohexanol 8.73
    benzyl alcohol 17.85
    2-ethylhexanol 5.54
    isooctanol 3.94
    dipropyl ether 7.99
    1,2-dichlorobenzene 30.87
    ethyl lactate 9.19
    propylene carbonate 32.53
    n-methylformamide 18.49
    2-pentanol 2.45
    n-pentane 0.18
    1-propoxy-2-propanol 13.13
    1-methoxy-2-propyl acetate 23.17
    2-(2-methoxypropoxy) propanol 19.24
    mesitylene 4.05
    ε-caprolactone 41.75
    p-cymene 5.62
    epichlorohydrin 170.72
    1,1,1-trichloroethane 34.6
    2-aminoethanol 3.96
    morpholine-4-carbaldehyde 75.22
    sulfolane 100.3
    2,2,4-trimethylpentane 0.35
    2-methyltetrahydrofuran 44.18
    n-hexyl acetate 10.76
    isooctane 0.24
    2-(2-butoxyethoxy)ethanol 21.24
    sec-butyl acetate 11.55
    tert-butyl acetate 13.7
    decalin 1.02
    glycerin 6.36
    diglyme 57.19
    acrylic acid 15.35
    isopropyl myristate 6.13
    n-butyric acid 12.55
    acetyl acetate 14.19
    di(2-ethylhexyl) phthalate 9.25
    ethyl propionate 14.19
    nitromethane 50.62
    1,2-diethoxyethane 22.04
    benzonitrile 23.39
    trioctyl phosphate 4.92
    1-bromopropane 23.15
    gamma-valerolactone 97.41
    n-decanol 2.59
    triethyl phosphate 11.65
    4-methyl-2-pentanol 2.8
    propionitrile 12.24
    vinylene carbonate 36.36
    1,1,2-trichlorotrifluoroethane 70.21
    DMS 25.45
    cumene 5.63
    2-octanol 2.39
    2-hexanone 17.84
    octyl acetate 7.08
    limonene 6.55
    1,2-dimethoxyethane 45.88
    ethyl orthosilicate 10.78
    tributyl phosphate 7.46
    diacetone alcohol 16.57
    N,N-dimethylaniline 14.21
    acrylonitrile 24.03
    aniline 21.39
    1,3-propanediol 7.29
    bromobenzene 33.94
    dibromomethane 82.2
    1,1,2,2-tetrachloroethane 127.24
    2-methyl-cyclohexyl acetate 17.3
    tetrabutyl urea 11.06
    diisobutyl methanol 4.32
    2-phenylethanol 17.45
    styrene 10.43
    dioctyl adipate 12.07
    dimethyl sulfate 35.11
    ethyl butyrate 13.55
    methyl lactate 10.47
    butyl lactate 8.97
    diethyl carbonate 11.65
    propanediol butyl ether 7.33
    triethyl orthoformate 12.85
    p-tert-butyltoluene 4.68
    methyl 4-tert-butylbenzoate 18.89
    morpholine 57.68
    tert-butylamine 2.69
    n-dodecanol 2.24
    dimethoxymethane 38.87
    ethylene carbonate 26.55
    cyrene 27.02
    2-ethoxyethyl acetate 21.8
    2-ethylhexyl acetate 13.36
    1,2,4-trichlorobenzene 40.56
    4-methylpyridine 49.54
    dibutyl ether 6.81
    2,6-dimethyl-4-heptanol 4.32
    DEF 24.65
    dimethyl isosorbide 45.87
    tetrachloroethylene 71.63
    eugenol 21.94
    triacetin 19.24
    span 80 12.85
    1,4-butanediol 3.25
    1,1-dichloroethane 41.71
    2-methyl-1-pentanol 7.2
    methyl formate 20.11
    2-methyl-1-butanol 5.1
    n-decane 0.49
    butyronitrile 10.3
    3,7-dimethyl-1-octanol 4.03
    1-chlorooctane 3.1
    1-chlorotetradecane 1.62
    n-nonane 0.37
    undecane 0.39
    tert-butylcyclohexane 0.82
    cyclooctane 0.26
    cyclopentanol 12.04
    tetrahydropyran 38.06
    tert-amyl methyl ether 6.38
    2,5,8-trioxanonane 40.1
    1-hexene 2.59
    2-isopropoxyethanol 12.19
    2,2,2-trifluoroethanol 9.24
    methyl butyrate 19.09

    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