5,7,3',4'-Tetramethoxyflavone

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  • Identifiers

    CAS number
    855-97-0

    Molecular formula
    C19H18O6

    SMILES
    COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 61.15%
    Vanilla 51.25%
    Phenolic 47.72%
    Spicy 45.22%
    Fruity 42.29%
    Powdery 41.43%
    Floral 38.98%
    Balsamic 35.05%
    Woody 34.92%
    Smoky 31.75%

     

    Flavor
    Bitter 84.21%
    Parsley 22.02%
    Eugenol 20.21%
    Bland 19.94%
    Cedarleaf 19.7%
    Lovage 19.56%
    Ripe apricot 19.23%
    Aniseed 19.2%
    Sweet-like 18.93%
    Tarragon 18.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.08 (neutral)

    Molecular weight
    342.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    578°C

    Flash point

    • 195.91 ˚C est.

  • Synonyms

    • 855-97-0
    • 5,7,3',4'-tetramethoxyflavone
    • 5,7,3',4'-Tetramethylluteolin
    • 3',4',5,7-Tetramethyl-luteolin
    • DTXSID80234705
    • RefChem:912978
    • DTXCID70157196
    • 3',4',5,7-Tetramethoxyflavone
    • Luteolin tetramethyl ether
    • 2-(3,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-chromen-4-one
    • Tetramethoxyluteolin
    • Luteolin tetramethylether
    • 2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
    • Methoxyluteolin
    • MFCD00017558
    • 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-
    • Luteolin 5,7,3',4'-tetramethyl ether
    • 2-(3,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one
    • Tetramethylluteolin
    • CHEMBL327340
    • orb1299105
    • SCHEMBL1421511
    • SCHEMBL29572571
    • SCHEMBL29725288
    • HY-N7030
    • Flavone, 3',4',5,7-tetramethoxy
    • LMPK12111074
    • MSK158760
    • AKOS015851531
    • CS-W011898
    • EBC-475042
    • FT65917
    • AC-34780
    • AS-69763
    • SY252783
    • ST50309218
    • E88611
    • 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-chromen-4-one
    • 2-(3,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-chromen-4-one #
    • 3 inverted exclamation mark ,4 inverted exclamation mark ,5,7-Tetramethoxyflavone
    • 5,7,3',4'-Tetramethoxyflavone5,7,3',4'-tetramethoxyflavone; 2-(3,4-Dimethoxyphenyl)-5,7-dimethoxy-4H-chromen-4-one; Tetramethoxyluteolin
    • 855-97-0

  • Applications

    5,7,3',4'-Tetramethoxyflavone (CAS number: 855-97-0) is primarily used as an intermediate and building block in flavone chemistry, supporting research and development in pharmaceuticals and related organic chemicals; it serves as a platform for synthesizing flavone derivatives used in medicinal chemistry studies. It is also employed as an intermediate in cosmetic and personal-care formulation work, and may be evaluated as a precursor for fragrance compounds in perfumery and fragrance chemistries. Additionally, it is studied as an intermediate for the synthesis of bioactive flavonoid-like compounds in agricultural and agrochemical research, and in coatings and inks it can function as a pigment precursor or color-building block for specialty formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.48
    methanol 0.44
    isopropanol 0.54
    water 0.0
    ethyl acetate 5.98
    n-propanol 0.7
    acetone 6.3
    n-butanol 0.6
    acetonitrile 5.47
    DMF 15.43
    toluene 1.33
    isobutanol 0.79
    1,4-dioxane 9.43
    methyl acetate 9.15
    THF 27.33
    2-butanone 6.81
    n-pentanol 0.75
    sec-butanol 0.73
    n-hexane 0.12
    ethylene glycol 0.55
    NMP 31.05
    cyclohexane 0.25
    DMSO 42.65
    n-butyl acetate 4.68
    n-octanol 0.74
    chloroform 34.62
    n-propyl acetate 4.99
    acetic acid 6.58
    dichloromethane 51.14
    cyclohexanone 12.83
    propylene glycol 0.39
    isopropyl acetate 3.75
    DMAc 37.59
    2-ethoxyethanol 4.11
    isopentanol 0.98
    n-heptane 0.17
    ethyl formate 3.52
    1,2-dichloroethane 27.85
    n-hexanol 0.86
    2-methoxyethanol 4.81
    isobutyl acetate 3.32
    tetrachloromethane 2.27
    n-pentyl acetate 2.96
    transcutol 11.69
    n-heptanol 0.78
    ethylbenzene 1.08
    MIBK 3.3
    2-propoxyethanol 5.74
    tert-butanol 1.28
    MTBE 1.92
    2-butoxyethanol 3.63
    propionic acid 3.43
    o-xylene 1.36
    formic acid 2.04
    diethyl ether 2.11
    m-xylene 0.91
    p-xylene 1.88
    chlorobenzene 4.42
    dimethyl carbonate 7.09
    n-octane 0.09
    formamide 5.04
    cyclopentanone 21.03
    2-pentanone 3.68
    anisole 3.93
    cyclopentyl methyl ether 5.85
    gamma-butyrolactone 30.26
    1-methoxy-2-propanol 3.01
    pyridine 11.11
    3-pentanone 5.56
    furfural 26.32
    n-dodecane 0.11
    diethylene glycol 5.76
    diisopropyl ether 0.77
    tert-amyl alcohol 1.35
    acetylacetone 10.47
    n-hexadecane 0.13
    acetophenone 6.77
    methyl propionate 7.35
    isopentyl acetate 5.37
    trichloroethylene 55.72
    n-nonanol 0.94
    cyclohexanol 1.51
    benzyl alcohol 2.93
    2-ethylhexanol 1.28
    isooctanol 0.96
    dipropyl ether 2.54
    1,2-dichlorobenzene 6.77
    ethyl lactate 3.16
    propylene carbonate 11.52
    n-methylformamide 4.84
    2-pentanol 0.48
    n-pentane 0.07
    1-propoxy-2-propanol 3.86
    1-methoxy-2-propyl acetate 8.01
    2-(2-methoxypropoxy) propanol 6.84
    mesitylene 0.66
    ε-caprolactone 11.61
    p-cymene 1.48
    epichlorohydrin 44.32
    1,1,1-trichloroethane 13.34
    2-aminoethanol 0.72
    morpholine-4-carbaldehyde 22.55
    sulfolane 50.01
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 10.49
    n-hexyl acetate 3.11
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 5.74
    sec-butyl acetate 3.48
    tert-butyl acetate 5.0
    decalin 0.28
    glycerin 1.82
    diglyme 17.72
    acrylic acid 5.11
    isopropyl myristate 1.91
    n-butyric acid 2.98
    acetyl acetate 6.62
    di(2-ethylhexyl) phthalate 2.78
    ethyl propionate 5.9
    nitromethane 26.32
    1,2-diethoxyethane 5.38
    benzonitrile 4.78
    trioctyl phosphate 1.57
    1-bromopropane 5.15
    gamma-valerolactone 25.54
    n-decanol 0.75
    triethyl phosphate 5.78
    4-methyl-2-pentanol 0.6
    propionitrile 3.99
    vinylene carbonate 11.22
    1,1,2-trichlorotrifluoroethane 31.84
    DMS 7.92
    cumene 1.08
    2-octanol 0.57
    2-hexanone 4.53
    octyl acetate 2.2
    limonene 1.78
    1,2-dimethoxyethane 12.83
    ethyl orthosilicate 4.82
    tributyl phosphate 2.63
    diacetone alcohol 5.31
    N,N-dimethylaniline 3.64
    acrylonitrile 7.37
    aniline 2.84
    1,3-propanediol 1.22
    bromobenzene 4.66
    dibromomethane 19.88
    1,1,2,2-tetrachloroethane 36.54
    2-methyl-cyclohexyl acetate 6.21
    tetrabutyl urea 3.96
    diisobutyl methanol 1.16
    2-phenylethanol 3.45
    styrene 1.25
    dioctyl adipate 4.24
    dimethyl sulfate 21.01
    ethyl butyrate 5.46
    methyl lactate 4.07
    butyl lactate 2.7
    diethyl carbonate 5.37
    propanediol butyl ether 1.78
    triethyl orthoformate 5.25
    p-tert-butyltoluene 1.2
    methyl 4-tert-butylbenzoate 6.63
    morpholine 10.0
    tert-butylamine 0.66
    n-dodecanol 0.63
    dimethoxymethane 9.32
    ethylene carbonate 8.78
    cyrene 10.3
    2-ethoxyethyl acetate 6.47
    2-ethylhexyl acetate 4.67
    1,2,4-trichlorobenzene 9.96
    4-methylpyridine 7.01
    dibutyl ether 1.89
    2,6-dimethyl-4-heptanol 1.16
    DEF 7.81
    dimethyl isosorbide 18.16
    tetrachloroethylene 21.07
    eugenol 6.18
    triacetin 7.18
    span 80 3.64
    1,4-butanediol 0.63
    1,1-dichloroethane 9.88
    2-methyl-1-pentanol 1.29
    methyl formate 5.49
    2-methyl-1-butanol 0.93
    n-decane 0.17
    butyronitrile 2.42
    3,7-dimethyl-1-octanol 1.11
    1-chlorooctane 0.93
    1-chlorotetradecane 0.48
    n-nonane 0.12
    undecane 0.13
    tert-butylcyclohexane 0.2
    cyclooctane 0.09
    cyclopentanol 2.45
    tetrahydropyran 5.62
    tert-amyl methyl ether 2.04
    2,5,8-trioxanonane 13.8
    1-hexene 0.51
    2-isopropoxyethanol 3.37
    2,2,2-trifluoroethanol 5.9
    methyl butyrate 6.58

    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