4',7-Dimethoxyisoflavone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1157-39-7

    Molecular formula
    C17H14O4

    SMILES
    COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 80.43%
    Floral 47.49%
    Phenolic 47.14%
    Vanilla 44.59%
    Powdery 43.74%
    Anisic 40.42%
    Coumarinic 38.26%
    Spicy 36.29%
    Aromatic 35.69%
    Fruity 34.37%

     

    Flavor
    Bitter 91.22%
    Balsam 21.88%
    Tonka 19.31%
    Parsley 19.27%
    Tarragon 19.22%
    Lovage 19.16%
    Aniseed 19.12%
    Very strong 18.89%
    Cedarleaf 18.51%
    Indole 18.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.1 (neutral)

    Molecular weight
    282.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    468°C

    Flash point

    • 186.43 ˚C est.

  • Synonyms

    • 4',7-Dimethoxyisoflavone
    • 1157-39-7
    • 7,4'-Dimethoxyisoflavone
    • 4H-1-Benzopyran-4-one, 7-methoxy-3-(4-methoxyphenyl)-
    • F5547DW3CO
    • DTXSID90151171
    • RefChem:1069015
    • DTXCID5073662
    • 7-methoxy-3-(4-methoxyphenyl)chromen-4-one
    • Daidzein dimethyl ether
    • dimethoxydaidzein
    • 7-Methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one
    • 7,4'-Di-O-methyldaidzein
    • MFCD00075889
    • 7-Methoxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one
    • CHEMBL12658
    • 4,7-Dimethoxyisoflavone
    • UNII-F5547DW3CO
    • KBio2_006313
    • di-o-methyldaidzein
    • 7-Methoxy-3-(4-methoxyphenyl)chromone
    • Spectrum_000697
    • SpecPlus_000113
    • Spectrum2_000185
    • Spectrum3_000209
    • Spectrum4_001605
    • Spectrum5_000329
    • 4;7'-Dimethoxyisoflavone
    • 4',7-Di-O-methyldaidzein
    • 7-Methoxy-3-(p-methoxyphenyl)-4H-chromen-4-one
    • Oprea1_523121
    • KBioGR_001949
    • KBioSS_001177
    • MLS002695973
    • DivK1c_006209
    • SCHEMBL571576
    • SPBio_000109
    • 7,4''''-Dimethoxyisoflavone
    • orb1304320
    • FORMONONETIN METHYL ETHER
    • KBio1_001153
    • KBio2_001177
    • KBio2_003745
    • KBio3_001297
    • 7,4;-DIMETHOXYISOFLAVONE
    • 4',7-DIMETHOXYLISOFLAVONE
    • CHEBI:196309
    • HY-N2145
    • BDBM50491177
    • LMPK12050040
    • s3910
    • STK924704
    • FORMONONETIN 7-O-METHYL ETHER
    • AKOS002223699
    • ISOFLAVONE, 4',7-DIMETHOXY-
    • CCG-214635
    • CS-5799
    • EBC-476063
    • FD66199
    • NCGC00247044-01
    • NCGC00247044-02
    • AC-34195
    • AS-69269
    • SMR001562127
    • DB-041286
    • D4389
    • ST50331724
    • VU0616764-1
    • 7-Methoxy-3-(4-methoxy-phenyl)-chromen-4-one
    • F16185
    • AB00052651-04
    • 157D397
    • AC-542/21092003
    • SR-05000002529
    • 7-Methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one #
    • SR-05000002529-1
    • Q27277653
    • F3385-0965
    • 1157-39-7

  • Applications

    4',7-Dimethoxyisoflavone (CAS 1157-39-7) is used primarily as an organic synthesis intermediate and building block for flavonoid derivatives; in pharmaceutical and agrochemical R&D it serves as a scaffold for structure–activity relationship studies and for designing isoflavone analogs; it also functions as a precursor for more complex flavonoid-related molecules in synthetic workflows, and is used in academic research to develop and validate methods for methoxy-substituted flavonoids.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.45
    methanol 0.33
    isopropanol 0.61
    water 0.0
    ethyl acetate 2.28
    n-propanol 0.8
    acetone 2.61
    n-butanol 0.7
    acetonitrile 2.11
    DMF 5.52
    toluene 2.27
    isobutanol 0.71
    1,4-dioxane 11.54
    methyl acetate 4.19
    THF 23.48
    2-butanone 4.68
    n-pentanol 0.88
    sec-butanol 0.93
    n-hexane 0.08
    ethylene glycol 0.34
    NMP 5.09
    cyclohexane 0.18
    DMSO 22.73
    n-butyl acetate 2.39
    n-octanol 0.35
    chloroform 18.39
    n-propyl acetate 2.63
    acetic acid 2.73
    dichloromethane 25.33
    cyclohexanone 6.73
    propylene glycol 0.45
    isopropyl acetate 2.04
    DMAc 15.84
    2-ethoxyethanol 4.62
    isopentanol 1.04
    n-heptane 0.13
    ethyl formate 1.41
    1,2-dichloroethane 16.31
    n-hexanol 0.75
    2-methoxyethanol 4.88
    isobutyl acetate 1.99
    tetrachloromethane 0.73
    n-pentyl acetate 1.4
    transcutol 23.78
    n-heptanol 0.54
    ethylbenzene 1.33
    MIBK 2.23
    2-propoxyethanol 4.93
    tert-butanol 1.47
    MTBE 1.99
    2-butoxyethanol 2.69
    propionic acid 1.74
    o-xylene 1.58
    formic acid 0.9
    diethyl ether 2.02
    m-xylene 1.03
    p-xylene 1.98
    chlorobenzene 2.99
    dimethyl carbonate 2.33
    n-octane 0.06
    formamide 2.44
    cyclopentanone 8.24
    2-pentanone 2.07
    anisole 4.3
    cyclopentyl methyl ether 3.82
    gamma-butyrolactone 9.37
    1-methoxy-2-propanol 3.37
    pyridine 12.36
    3-pentanone 2.89
    furfural 11.75
    n-dodecane 0.07
    diethylene glycol 4.76
    diisopropyl ether 0.76
    tert-amyl alcohol 1.54
    acetylacetone 4.96
    n-hexadecane 0.08
    acetophenone 4.81
    methyl propionate 2.55
    isopentyl acetate 3.46
    trichloroethylene 30.4
    n-nonanol 0.53
    cyclohexanol 1.37
    benzyl alcohol 2.86
    2-ethylhexanol 1.06
    isooctanol 0.71
    dipropyl ether 2.47
    1,2-dichlorobenzene 4.12
    ethyl lactate 1.67
    propylene carbonate 3.51
    n-methylformamide 1.69
    2-pentanol 0.6
    n-pentane 0.05
    1-propoxy-2-propanol 3.35
    1-methoxy-2-propyl acetate 5.72
    2-(2-methoxypropoxy) propanol 6.66
    mesitylene 0.67
    ε-caprolactone 5.72
    p-cymene 1.23
    epichlorohydrin 26.67
    1,1,1-trichloroethane 6.09
    2-aminoethanol 0.69
    morpholine-4-carbaldehyde 11.75
    sulfolane 15.18
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 7.51
    n-hexyl acetate 1.42
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 6.48
    sec-butyl acetate 2.28
    tert-butyl acetate 3.52
    decalin 0.23
    glycerin 1.8
    diglyme 19.7
    acrylic acid 2.29
    isopropyl myristate 1.32
    n-butyric acid 1.79
    acetyl acetate 2.48
    di(2-ethylhexyl) phthalate 1.89
    ethyl propionate 2.83
    nitromethane 8.6
    1,2-diethoxyethane 7.85
    benzonitrile 3.3
    trioctyl phosphate 0.85
    1-bromopropane 3.68
    gamma-valerolactone 14.5
    n-decanol 0.46
    triethyl phosphate 3.56
    4-methyl-2-pentanol 0.62
    propionitrile 2.25
    vinylene carbonate 3.93
    1,1,2-trichlorotrifluoroethane 14.44
    DMS 4.12
    cumene 1.08
    2-octanol 0.37
    2-hexanone 3.0
    octyl acetate 1.23
    limonene 1.36
    1,2-dimethoxyethane 13.64
    ethyl orthosilicate 3.41
    tributyl phosphate 1.54
    diacetone alcohol 4.14
    N,N-dimethylaniline 3.4
    acrylonitrile 3.75
    aniline 3.03
    1,3-propanediol 1.55
    bromobenzene 3.42
    dibromomethane 10.77
    1,1,2,2-tetrachloroethane 20.7
    2-methyl-cyclohexyl acetate 4.21
    tetrabutyl urea 2.39
    diisobutyl methanol 1.15
    2-phenylethanol 2.89
    styrene 1.52
    dioctyl adipate 2.87
    dimethyl sulfate 5.99
    ethyl butyrate 3.33
    methyl lactate 1.94
    butyl lactate 1.59
    diethyl carbonate 3.19
    propanediol butyl ether 1.46
    triethyl orthoformate 4.03
    p-tert-butyltoluene 1.11
    methyl 4-tert-butylbenzoate 4.56
    morpholine 11.4
    tert-butylamine 0.75
    n-dodecanol 0.42
    dimethoxymethane 5.55
    ethylene carbonate 2.93
    cyrene 5.8
    2-ethoxyethyl acetate 4.15
    2-ethylhexyl acetate 2.85
    1,2,4-trichlorobenzene 6.28
    4-methylpyridine 5.95
    dibutyl ether 1.78
    2,6-dimethyl-4-heptanol 1.15
    DEF 3.56
    dimethyl isosorbide 15.1
    tetrachloroethylene 11.18
    eugenol 4.83
    triacetin 4.08
    span 80 3.06
    1,4-butanediol 0.63
    1,1-dichloroethane 5.09
    2-methyl-1-pentanol 1.37
    methyl formate 1.69
    2-methyl-1-butanol 0.96
    n-decane 0.1
    butyronitrile 1.52
    3,7-dimethyl-1-octanol 0.79
    1-chlorooctane 0.47
    1-chlorotetradecane 0.31
    n-nonane 0.07
    undecane 0.08
    tert-butylcyclohexane 0.19
    cyclooctane 0.06
    cyclopentanol 1.54
    tetrahydropyran 6.71
    tert-amyl methyl ether 2.07
    2,5,8-trioxanonane 16.03
    1-hexene 0.47
    2-isopropoxyethanol 3.39
    2,2,2-trifluoroethanol 1.57
    methyl butyrate 3.13

    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