3',4'-Dimethoxyflavone

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  • Identifiers

    CAS number
    4143-62-8

    Molecular formula
    C17H14O4

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

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Sweet 74.65%
    Vanilla 55.4%
    Phenolic 50.71%
    Powdery 47.12%
    Floral 41.97%
    Spicy 40.03%
    Balsamic 38.37%
    Creamy 35.75%
    Coumarinic 33.93%
    Aromatic 32.11%

     

    Flavor
    Bitter 87.76%
    Sweet 25.73%
    Tonka 23.54%
    Balsam 23.26%
    Vanilla 20.97%
    Parsley 20.27%
    Eugenol 19.7%
    Naphthalic 19.59%
    Lovage 19.39%
    Tarragon 19.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    6.79 (neutral)

    Molecular weight
    282.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    481°C

    Flash point

    • 177.36 ˚C est.

  • Synonyms

    • 3',4'-Dimethoxyflavone
    • 4143-62-8
    • 2-(3,4-dimethoxyphenyl)chromen-4-one
    • DTXSID50350946
    • 3',4'-DMF
    • RefChem:90238
    • DTXCID20302013
    • 662-653-3
    • 2-(3,4-dimethoxyphenyl)-4H-chromen-4-one
    • MFCD00143009
    • CHEMBL91153
    • KBio2_004087
    • 3,4-Dimethoxyflavone
    • Spectrum_001039
    • 2-(3,4-Dimethoxy-phenyl)-chromen-4-one
    • SpecPlus_000555
    • Spectrum2_000709
    • Spectrum4_001893
    • Spectrum5_000546
    • 2-(3,4-Dimethoxyphenyl)-4H-1-benzopyran-4-one
    • Oprea1_098805
    • KBioGR_002451
    • KBioSS_001519
    • DivK1c_006651
    • SPECTRUM1500735
    • 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-
    • SPBio_000897
    • orb1297135
    • SCHEMBL1675954
    • 3-,4--DIMETHOXYFLAVONE
    • SCHEMBL29623082
    • KBio1_001595
    • KBio2_001519
    • KBio2_006655
    • CHEBI:232299
    • HMS6018G15
    • HY-N8572
    • BDBM50420209
    • CCG-40034
    • STK899809
    • AKOS002279678
    • EBC-521924
    • FD65930
    • SDCCGMLS-0066648.P001
    • NCGC00095629-01
    • NCGC00095629-02
    • LS-14554
    • PD171572
    • SY050121
    • CS-0148635
    • D4794
    • ST50309362
    • T70897
    • AN-829/41499278
    • F619768
    • SR-01000471680
    • SR-01000471680-1
    • 3 inverted exclamation mark ,4 inverted exclamation mark -Dimethoxyflavone
    • 4143-62-8

  • Applications

    3',4'-Dimethoxyflavone (CAS 4143-62-8) is primarily used as an intermediate and building block in the synthesis of flavonoids for pharmaceutical and agrochemical research. It is commonly employed as a reference standard or analytical surrogate in flavonoid LC/UV or LC/MS method development and sample analysis. As a versatile starting material in organic synthesis, it supports the preparation of flavonoid derivatives for structure-activity studies. Availability and use are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.03
    methanol 0.79
    isopropanol 1.11
    water 0.0
    ethyl acetate 7.86
    n-propanol 1.4
    acetone 8.07
    n-butanol 1.43
    acetonitrile 6.46
    DMF 14.26
    toluene 4.84
    isobutanol 1.4
    1,4-dioxane 19.69
    methyl acetate 10.62
    THF 41.75
    2-butanone 9.08
    n-pentanol 2.11
    sec-butanol 1.68
    n-hexane 0.4
    ethylene glycol 0.78
    NMP 12.0
    cyclohexane 0.62
    DMSO 28.9
    n-butyl acetate 7.17
    n-octanol 1.63
    chloroform 35.41
    n-propyl acetate 9.3
    acetic acid 8.12
    dichloromethane 59.53
    cyclohexanone 15.34
    propylene glycol 0.54
    isopropyl acetate 6.74
    DMAc 24.92
    2-ethoxyethanol 8.22
    isopentanol 2.31
    n-heptane 0.76
    ethyl formate 4.33
    1,2-dichloroethane 37.94
    n-hexanol 2.49
    2-methoxyethanol 7.65
    isobutyl acetate 6.63
    tetrachloromethane 2.34
    n-pentyl acetate 5.89
    transcutol 37.38
    n-heptanol 2.1
    ethylbenzene 3.92
    MIBK 6.67
    2-propoxyethanol 9.46
    tert-butanol 2.85
    MTBE 4.66
    2-butoxyethanol 6.67
    propionic acid 4.12
    o-xylene 3.89
    formic acid 2.23
    diethyl ether 6.22
    m-xylene 3.06
    p-xylene 5.34
    chlorobenzene 7.41
    dimethyl carbonate 7.91
    n-octane 0.44
    formamide 6.44
    cyclopentanone 20.69
    2-pentanone 6.22
    anisole 8.92
    cyclopentyl methyl ether 10.28
    gamma-butyrolactone 26.27
    1-methoxy-2-propanol 5.48
    pyridine 21.44
    3-pentanone 8.04
    furfural 27.21
    n-dodecane 0.41
    diethylene glycol 8.27
    diisopropyl ether 2.58
    tert-amyl alcohol 2.94
    acetylacetone 14.08
    n-hexadecane 0.5
    acetophenone 11.59
    methyl propionate 8.02
    isopentyl acetate 8.47
    trichloroethylene 63.47
    n-nonanol 2.21
    cyclohexanol 3.06
    benzyl alcohol 6.02
    2-ethylhexanol 3.3
    isooctanol 2.47
    dipropyl ether 7.2
    1,2-dichlorobenzene 9.73
    ethyl lactate 4.65
    propylene carbonate 10.44
    n-methylformamide 4.56
    2-pentanol 1.44
    n-pentane 0.23
    1-propoxy-2-propanol 7.2
    1-methoxy-2-propyl acetate 12.44
    2-(2-methoxypropoxy) propanol 11.39
    mesitylene 2.18
    ε-caprolactone 13.85
    p-cymene 3.6
    epichlorohydrin 51.58
    1,1,1-trichloroethane 14.85
    2-aminoethanol 1.18
    morpholine-4-carbaldehyde 23.16
    sulfolane 33.49
    2,2,4-trimethylpentane 0.36
    2-methyltetrahydrofuran 14.26
    n-hexyl acetate 5.89
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 12.18
    sec-butyl acetate 7.3
    tert-butyl acetate 9.16
    decalin 0.79
    glycerin 2.37
    diglyme 35.07
    acrylic acid 5.55
    isopropyl myristate 4.06
    n-butyric acid 4.55
    acetyl acetate 8.24
    di(2-ethylhexyl) phthalate 4.73
    ethyl propionate 9.64
    nitromethane 22.56
    1,2-diethoxyethane 17.02
    benzonitrile 8.22
    trioctyl phosphate 2.67
    1-bromopropane 9.11
    gamma-valerolactone 27.4
    n-decanol 1.9
    triethyl phosphate 8.14
    4-methyl-2-pentanol 1.73
    propionitrile 5.95
    vinylene carbonate 11.61
    1,1,2-trichlorotrifluoroethane 24.05
    DMS 12.47
    cumene 3.18
    2-octanol 1.71
    2-hexanone 8.15
    octyl acetate 4.19
    limonene 3.88
    1,2-dimethoxyethane 26.29
    ethyl orthosilicate 7.99
    tributyl phosphate 4.14
    diacetone alcohol 8.98
    N,N-dimethylaniline 8.03
    acrylonitrile 10.06
    aniline 5.45
    1,3-propanediol 2.37
    bromobenzene 8.41
    dibromomethane 24.72
    1,1,2,2-tetrachloroethane 36.37
    2-methyl-cyclohexyl acetate 9.5
    tetrabutyl urea 5.91
    diisobutyl methanol 3.28
    2-phenylethanol 6.98
    styrene 4.13
    dioctyl adipate 7.4
    dimethyl sulfate 15.87
    ethyl butyrate 8.84
    methyl lactate 4.32
    butyl lactate 4.67
    diethyl carbonate 7.68
    propanediol butyl ether 3.7
    triethyl orthoformate 9.28
    p-tert-butyltoluene 3.06
    methyl 4-tert-butylbenzoate 11.28
    morpholine 16.2
    tert-butylamine 1.67
    n-dodecanol 1.68
    dimethoxymethane 15.65
    ethylene carbonate 9.03
    cyrene 12.28
    2-ethoxyethyl acetate 12.77
    2-ethylhexyl acetate 7.02
    1,2,4-trichlorobenzene 12.96
    4-methylpyridine 11.4
    dibutyl ether 5.87
    2,6-dimethyl-4-heptanol 3.28
    DEF 10.17
    dimethyl isosorbide 28.08
    tetrachloroethylene 24.13
    eugenol 11.47
    triacetin 12.33
    span 80 6.81
    1,4-butanediol 1.39
    1,1-dichloroethane 13.02
    2-methyl-1-pentanol 3.28
    methyl formate 5.53
    2-methyl-1-butanol 2.04
    n-decane 0.67
    butyronitrile 4.07
    3,7-dimethyl-1-octanol 2.59
    1-chlorooctane 2.25
    1-chlorotetradecane 1.3
    n-nonane 0.53
    undecane 0.51
    tert-butylcyclohexane 0.63
    cyclooctane 0.29
    cyclopentanol 3.36
    tetrahydropyran 11.88
    tert-amyl methyl ether 4.75
    2,5,8-trioxanonane 25.56
    1-hexene 1.94
    2-isopropoxyethanol 7.1
    2,2,2-trifluoroethanol 5.22
    methyl butyrate 10.23

    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