Gossypetin hexamethyl ether

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  • Identifiers

    CAS number
    7741-47-1

    Molecular formula
    C21H22O8

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

    Safety labels

  • Odor profile

    Fragrance
    Spicy 53.8%
    Phenolic 49.65%
    Vanilla 48.9%
    Floral 42.77%
    Woody 41.48%
    Fruity 41.36%
    Smoky 37.72%
    Sweet 36.87%
    Balsamic 36.59%
    Powdery 35.39%

     

    Flavor
    Bitter 80.11%
    Bland 24.04%
    Parsley 23.01%
    Eugenol 21.84%
    Cedarleaf 19.97%
    Sweet-like 19.68%
    Carrot 19.59%
    Lovage 19.32%
    Ripe apricot 19.29%
    Red fruit 18.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.95 (neutral)

    Molecular weight
    402.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    774°C

    Melting point expt.

    • 170 - 172 °C

    Flash point

    • 202.25 ˚C est.

  • Synonyms

    • Gossypetin hexamethyl ether
    • 3,5,7,8,3',4'-Hexamethoxyflavone
    • 2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxychromen-4-one
    • DTXSID60228122
    • 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxy-
    • Hexamethylgossypetin
    • RefChem:144197
    • DTXCID80150613
    • 7741-47-1
    • 2-(3,4-Dimethoxyphenyl)-3,5,7,8-tetramethoxy-4H-1-benzopyran-4-one
    • 3,3',4',5,7,8-Hexamethoxyflavone
    • 3,5,7,8,3 inverted exclamation marka,4 inverted exclamation marka-Hexamethoxyflavone
    • gossypetin hexamethyl
    • SCHEMBL988273
    • orb1941402
    • CHEBI:175984
    • XBZIUXVIWRAJKB-UHFFFAOYSA-N
    • HY-N11166
    • LMPK12113255
    • 3,5,7,8,3a?4a?Hexamethoxyflavone
    • DA-69874
    • CS-0639018
    • 7741-47-1

  • Applications

    Gossypetin hexamethyl ether (CAS number: 7741-47-1) is primarily used as a specialty chemical in research and development. It is commonly employed as an intermediate in the synthesis of flavonoid derivatives and as a reference standard for analytical methods (HPLC/LC-MS) profiling of related natural products. In cosmetics and personal care, it may be evaluated as a potential antioxidant or formulation component in academic or product-formulation studies. In pharmaceutical and medicinal chemistry research, it serves as a scaffold for structure-activity investigations of flavonoid-like compounds. It can also be used as a model compound for method development in materials science and for studying antioxidant interactions in polymers or coatings. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.43
    methanol 0.37
    isopropanol 0.43
    water 0.0
    ethyl acetate 7.13
    n-propanol 0.63
    acetone 3.7
    n-butanol 0.56
    acetonitrile 3.34
    DMF 9.79
    toluene 0.94
    isobutanol 0.62
    1,4-dioxane 4.6
    methyl acetate 7.8
    THF 9.55
    2-butanone 4.97
    n-pentanol 0.65
    sec-butanol 0.68
    n-hexane 0.17
    ethylene glycol 0.47
    NMP 33.84
    cyclohexane 0.36
    DMSO 10.88
    n-butyl acetate 4.4
    n-octanol 0.55
    chloroform 25.76
    n-propyl acetate 3.82
    acetic acid 6.62
    dichloromethane 32.13
    cyclohexanone 9.78
    propylene glycol 0.25
    isopropyl acetate 3.91
    DMAc 21.83
    2-ethoxyethanol 2.56
    isopentanol 0.76
    n-heptane 0.25
    ethyl formate 3.61
    1,2-dichloroethane 16.46
    n-hexanol 0.76
    2-methoxyethanol 2.93
    isobutyl acetate 2.06
    tetrachloromethane 3.85
    n-pentyl acetate 2.98
    transcutol 5.69
    n-heptanol 0.71
    ethylbenzene 0.85
    MIBK 2.24
    2-propoxyethanol 3.76
    tert-butanol 0.84
    MTBE 1.45
    2-butoxyethanol 2.61
    propionic acid 3.85
    o-xylene 1.36
    formic acid 2.73
    diethyl ether 1.8
    m-xylene 0.8
    p-xylene 1.34
    chlorobenzene 3.28
    dimethyl carbonate 8.41
    n-octane 0.11
    formamide 5.71
    cyclopentanone 14.86
    2-pentanone 3.34
    anisole 1.97
    cyclopentyl methyl ether 3.79
    gamma-butyrolactone 26.72
    1-methoxy-2-propanol 2.15
    pyridine 7.1
    3-pentanone 5.35
    furfural 21.29
    n-dodecane 0.09
    diethylene glycol 3.46
    diisopropyl ether 0.73
    tert-amyl alcohol 1.13
    acetylacetone 8.79
    n-hexadecane 0.11
    acetophenone 4.7
    methyl propionate 8.16
    isopentyl acetate 4.19
    trichloroethylene 42.0
    n-nonanol 0.68
    cyclohexanol 1.43
    benzyl alcohol 1.86
    2-ethylhexanol 1.07
    isooctanol 0.77
    dipropyl ether 1.72
    1,2-dichlorobenzene 6.03
    ethyl lactate 2.6
    propylene carbonate 12.1
    n-methylformamide 4.57
    2-pentanol 0.56
    n-pentane 0.14
    1-propoxy-2-propanol 2.68
    1-methoxy-2-propyl acetate 7.18
    2-(2-methoxypropoxy) propanol 4.23
    mesitylene 0.63
    ε-caprolactone 10.84
    p-cymene 1.4
    epichlorohydrin 24.16
    1,1,1-trichloroethane 12.62
    2-aminoethanol 0.57
    morpholine-4-carbaldehyde 17.49
    sulfolane 36.47
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 6.07
    n-hexyl acetate 2.69
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 3.29
    sec-butyl acetate 2.67
    tert-butyl acetate 4.29
    decalin 0.32
    glycerin 1.19
    diglyme 10.54
    acrylic acid 6.29
    isopropyl myristate 1.27
    n-butyric acid 3.56
    acetyl acetate 8.82
    di(2-ethylhexyl) phthalate 2.03
    ethyl propionate 4.97
    nitromethane 23.94
    1,2-diethoxyethane 3.05
    benzonitrile 3.07
    trioctyl phosphate 1.29
    1-bromopropane 3.88
    gamma-valerolactone 18.53
    n-decanol 0.53
    triethyl phosphate 4.92
    4-methyl-2-pentanol 0.51
    propionitrile 2.59
    vinylene carbonate 12.02
    1,1,2-trichlorotrifluoroethane 26.28
    DMS 8.58
    cumene 0.82
    2-octanol 0.51
    2-hexanone 2.77
    octyl acetate 1.61
    limonene 1.78
    1,2-dimethoxyethane 6.39
    ethyl orthosilicate 3.98
    tributyl phosphate 1.91
    diacetone alcohol 4.15
    N,N-dimethylaniline 2.37
    acrylonitrile 5.16
    aniline 2.01
    1,3-propanediol 0.93
    bromobenzene 3.48
    dibromomethane 13.28
    1,1,2,2-tetrachloroethane 26.92
    2-methyl-cyclohexyl acetate 4.72
    tetrabutyl urea 2.88
    diisobutyl methanol 0.88
    2-phenylethanol 2.56
    styrene 0.86
    dioctyl adipate 2.94
    dimethyl sulfate 23.09
    ethyl butyrate 4.35
    methyl lactate 4.02
    butyl lactate 2.44
    diethyl carbonate 4.62
    propanediol butyl ether 1.21
    triethyl orthoformate 4.22
    p-tert-butyltoluene 1.21
    methyl 4-tert-butylbenzoate 5.87
    morpholine 5.27
    tert-butylamine 0.55
    n-dodecanol 0.43
    dimethoxymethane 5.99
    ethylene carbonate 8.58
    cyrene 7.58
    2-ethoxyethyl acetate 5.79
    2-ethylhexyl acetate 3.99
    1,2,4-trichlorobenzene 8.34
    4-methylpyridine 4.83
    dibutyl ether 1.15
    2,6-dimethyl-4-heptanol 0.88
    DEF 8.46
    dimethyl isosorbide 12.16
    tetrachloroethylene 20.64
    eugenol 4.75
    triacetin 6.3
    span 80 2.46
    1,4-butanediol 0.51
    1,1-dichloroethane 7.04
    2-methyl-1-pentanol 0.93
    methyl formate 5.13
    2-methyl-1-butanol 0.85
    n-decane 0.15
    butyronitrile 1.72
    3,7-dimethyl-1-octanol 0.73
    1-chlorooctane 0.71
    1-chlorotetradecane 0.34
    n-nonane 0.12
    undecane 0.12
    tert-butylcyclohexane 0.21
    cyclooctane 0.16
    cyclopentanol 1.98
    tetrahydropyran 3.02
    tert-amyl methyl ether 1.92
    2,5,8-trioxanonane 7.7
    1-hexene 0.49
    2-isopropoxyethanol 2.13
    2,2,2-trifluoroethanol 8.03
    methyl butyrate 5.28

    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