5,6,7,4'-Tetramethoxyflavone

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  • Identifiers

    CAS number
    1168-42-9

    Molecular formula
    C19H18O6

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 53.37%
    Spicy 50.27%
    Phenolic 50.2%
    Vanilla 46.93%
    Floral 38.44%
    Powdery 37.11%
    Fruity 36.24%
    Woody 35.26%
    Smoky 34.89%
    Balsamic 34.11%

     

    Flavor
    Bitter 82.85%
    Parsley 22.38%
    Eugenol 20.84%
    Lovage 19.95%
    Cedarleaf 19.86%
    Aniseed 19.59%
    Ripe apricot 19.44%
    Ethyl benzoate 19.31%
    Bland 19.23%
    Tarragon 19.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.75 (neutral)

    Molecular weight
    342.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    606°C

    Melting point expt.

    • 166 - 167 °C

    Flash point

    • 192.36 ˚C est.

  • Synonyms

    • 1168-42-9
    • 4',5,6,7-Tetramethoxyflavone
    • Tetramethyl-O-scutellarin
    • Tetramethylscutellarein
    • 5,6,7,4'-Tetramethoxyflavone
    • 5,6,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
    • Flavone, 4',5,6,7-tetramethoxy-
    • NSC-53908
    • 5,6,7-Trimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
    • 4H-1-Benzopyran-4-one, 5,6,7-trimethoxy-2-(4-methoxyphenyl)-
    • DWN851IYG6
    • CHEBI:34357
    • DTXSID60151522
    • RefChem:50886
    • DTXCID4074013
    • Scutellarein tetramethyl ether
    • Tetra-O-methylscutellarein
    • 5,6,7-Trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
    • Scutellarein tetramethylether
    • NSC53908
    • MFCD00017442
    • 5-METHOXYSALVIGENIN
    • Scutellarein 5,6,7,4'-tetramethyl ether
    • 4', 5,6,7-Tetramethoxyflavone
    • Flavone, 5,6,7,4'-tetramethoxy
    • Scutellareintetramethylether
    • Scutellarein tetramethyl ether; 4',5,6,7-Tetramethoxyflavone
    • NSC 53908
    • Tetrametlglscutellarein
    • UNII-DWN851IYG6
    • NCIMech_000290
    • Oprea1_070007
    • 4',6,7-Tetramethoxyflavone
    • MLS001048998
    • CHEMBL75349
    • SCHEMBL739115
    • Flavone,5,6,7-tetramethoxy-
    • orb1297494
    • ACon1_001966
    • HY-N4314R
    • 4',5,6,7-tetramethoxy flavone
    • 4',5,6,7-Tetramethoxy-Flavone
    • HMS2271J05
    • HY-N4314
    • BDBM50451668
    • CCG-35304
    • LMPK12111167
    • STL578194
    • XH1485
    • PECTOLINARIGENIN DIMETHYL ETHER
    • AKOS015969703
    • EBC-615689
    • FT75183
    • NCGC00179960-01
    • MS-25233
    • NCI60_004329
    • Scutellarein tetramethyl ether (Standard)
    • SMR000387012
    • DB-041341
    • CS-0032724
    • Flavone, 4',5,6,7-tetramethoxy- (8CI)
    • NS00134226
    • ST50309239
    • T3970
    • E80724
    • BRD-K36475601-001-01-8
    • Q27116014
    • 5,6,7-Trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one #
    • 4H-1-Benzopyran-4-one,6,7-trimethoxy-2-(4-methoxyphenyl)-
    • 4H-1-Benzopyran-4-one, 5,6, 7-trimethoxy-2-(4-methoxyphenyl)-
    • NCGC00179960-02!5,6,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
    • Scutellarein tetramethylether; 5,6,7-trimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
    • 1168-42-9

  • Applications

    5,6,7,4'-Tetramethoxyflavone (CAS 1168-42-9) is primarily used as a synthetic building block and intermediate in organic synthesis, supporting the development of flavonoid-type compounds for pharmaceutical and agrochemical research. It is commonly evaluated as part of medicinal chemistry SAR libraries and serves as a reference scaffold for generating flavone derivatives. In analytical chemistry, the compound functions as a specialty reference material and calibration standard for method development (LC/UV, LC-MS). In materials science, it is explored as a potential chromophore in advanced coatings or inks and may be employed in academic studies to probe structure-property relationships in polymer matrices. Additionally, researchers may use it as a research chemical in academia for synthetic method development and exploratory studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.75
    methanol 0.66
    isopropanol 0.69
    water 0.0
    ethyl acetate 8.29
    n-propanol 1.04
    acetone 7.65
    n-butanol 0.88
    acetonitrile 6.54
    DMF 18.02
    toluene 1.82
    isobutanol 1.09
    1,4-dioxane 9.96
    methyl acetate 10.96
    THF 27.27
    2-butanone 7.84
    n-pentanol 1.16
    sec-butanol 0.96
    n-hexane 0.15
    ethylene glycol 0.83
    NMP 36.12
    cyclohexane 0.34
    DMSO 33.07
    n-butyl acetate 6.02
    n-octanol 1.09
    chloroform 37.81
    n-propyl acetate 6.8
    acetic acid 8.6
    dichloromethane 60.24
    cyclohexanone 16.12
    propylene glycol 0.45
    isopropyl acetate 4.93
    DMAc 33.79
    2-ethoxyethanol 5.35
    isopentanol 1.34
    n-heptane 0.25
    ethyl formate 5.04
    1,2-dichloroethane 33.39
    n-hexanol 1.33
    2-methoxyethanol 6.3
    isobutyl acetate 4.32
    tetrachloromethane 3.03
    n-pentyl acetate 4.22
    transcutol 12.16
    n-heptanol 1.24
    ethylbenzene 1.52
    MIBK 4.15
    2-propoxyethanol 7.3
    tert-butanol 1.57
    MTBE 2.08
    2-butoxyethanol 4.88
    propionic acid 4.68
    o-xylene 1.88
    formic acid 3.16
    diethyl ether 2.51
    m-xylene 1.44
    p-xylene 2.51
    chlorobenzene 5.92
    dimethyl carbonate 9.24
    n-octane 0.14
    formamide 7.22
    cyclopentanone 25.0
    2-pentanone 5.01
    anisole 4.43
    cyclopentyl methyl ether 7.11
    gamma-butyrolactone 39.02
    1-methoxy-2-propanol 3.74
    pyridine 13.62
    3-pentanone 6.92
    furfural 34.92
    n-dodecane 0.16
    diethylene glycol 7.47
    diisopropyl ether 0.94
    tert-amyl alcohol 1.66
    acetylacetone 13.22
    n-hexadecane 0.2
    acetophenone 8.56
    methyl propionate 9.93
    isopentyl acetate 6.48
    trichloroethylene 69.49
    n-nonanol 1.34
    cyclohexanol 2.08
    benzyl alcohol 4.23
    2-ethylhexanol 1.86
    isooctanol 1.42
    dipropyl ether 2.97
    1,2-dichlorobenzene 8.98
    ethyl lactate 4.11
    propylene carbonate 15.28
    n-methylformamide 6.41
    2-pentanol 0.69
    n-pentane 0.1
    1-propoxy-2-propanol 4.56
    1-methoxy-2-propyl acetate 9.42
    2-(2-methoxypropoxy) propanol 7.45
    mesitylene 1.0
    ε-caprolactone 15.11
    p-cymene 2.11
    epichlorohydrin 51.93
    1,1,1-trichloroethane 16.05
    2-aminoethanol 1.01
    morpholine-4-carbaldehyde 27.21
    sulfolane 55.96
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 11.96
    n-hexyl acetate 4.28
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 6.76
    sec-butyl acetate 4.57
    tert-butyl acetate 6.05
    decalin 0.37
    glycerin 2.27
    diglyme 19.6
    acrylic acid 7.14
    isopropyl myristate 2.39
    n-butyric acid 4.17
    acetyl acetate 9.09
    di(2-ethylhexyl) phthalate 3.57
    ethyl propionate 7.24
    nitromethane 32.74
    1,2-diethoxyethane 5.94
    benzonitrile 6.5
    trioctyl phosphate 2.14
    1-bromopropane 6.18
    gamma-valerolactone 31.01
    n-decanol 1.06
    triethyl phosphate 6.49
    4-methyl-2-pentanol 0.8
    propionitrile 4.89
    vinylene carbonate 15.52
    1,1,2-trichlorotrifluoroethane 37.58
    DMS 10.42
    cumene 1.52
    2-octanol 0.86
    2-hexanone 5.72
    octyl acetate 2.92
    limonene 2.46
    1,2-dimethoxyethane 13.96
    ethyl orthosilicate 5.53
    tributyl phosphate 3.2
    diacetone alcohol 6.66
    N,N-dimethylaniline 4.09
    acrylonitrile 9.26
    aniline 3.61
    1,3-propanediol 1.76
    bromobenzene 6.23
    dibromomethane 23.85
    1,1,2,2-tetrachloroethane 39.96
    2-methyl-cyclohexyl acetate 7.55
    tetrabutyl urea 4.87
    diisobutyl methanol 1.46
    2-phenylethanol 5.0
    styrene 1.69
    dioctyl adipate 5.16
    dimethyl sulfate 24.75
    ethyl butyrate 6.49
    methyl lactate 5.04
    butyl lactate 3.66
    diethyl carbonate 6.3
    propanediol butyl ether 2.35
    triethyl orthoformate 5.99
    p-tert-butyltoluene 1.69
    methyl 4-tert-butylbenzoate 8.33
    morpholine 10.66
    tert-butylamine 0.8
    n-dodecanol 0.89
    dimethoxymethane 11.34
    ethylene carbonate 11.59
    cyrene 12.58
    2-ethoxyethyl acetate 8.51
    2-ethylhexyl acetate 5.63
    1,2,4-trichlorobenzene 12.76
    4-methylpyridine 8.81
    dibutyl ether 2.3
    2,6-dimethyl-4-heptanol 1.46
    DEF 9.59
    dimethyl isosorbide 20.36
    tetrachloroethylene 26.37
    eugenol 7.99
    triacetin 8.95
    span 80 4.37
    1,4-butanediol 0.96
    1,1-dichloroethane 11.74
    2-methyl-1-pentanol 1.84
    methyl formate 7.88
    2-methyl-1-butanol 1.27
    n-decane 0.25
    butyronitrile 3.24
    3,7-dimethyl-1-octanol 1.45
    1-chlorooctane 1.34
    1-chlorotetradecane 0.68
    n-nonane 0.19
    undecane 0.2
    tert-butylcyclohexane 0.26
    cyclooctane 0.13
    cyclopentanol 3.32
    tetrahydropyran 6.38
    tert-amyl methyl ether 2.39
    2,5,8-trioxanonane 14.83
    1-hexene 0.65
    2-isopropoxyethanol 4.37
    2,2,2-trifluoroethanol 8.01
    methyl butyrate 8.33

    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