4'-Hydroxy-5,6,7,8-Tetramethoxyflavone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    36950-98-8

    Molecular formula
    C19H18O7

    SMILES
    COC1=C(C(=C(C2=C1C(=O)C=C(O2)C3=CC=C(C=C3)O)OC)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 60.57%
    Spicy 52.31%
    Vanilla 44.76%
    Smoky 43.64%
    Sweet 41.99%
    Woody 40.25%
    Balsamic 34.75%
    Burnt 34.46%
    Powdery 32.22%
    Medicinal 29.93%

     

    Flavor
    Bitter 84.39%
    Bland 24.94%
    Parsley 22.32%
    Eugenol 21.36%
    Cedarleaf 20.08%
    Lovage 19.84%
    Sweet-like 19.67%
    Ripe apricot 19.13%
    Odorless 19.06%
    Carrot 19.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.55 (neutral)

    Molecular weight
    358.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    760°C

    Melting point expt.

    • 196 - 198 °C

    Flash point

    • 209.83 ˚C est.

  • Synonyms

    • 4'-Hydroxy-5,6,7,8-tetramethoxyflavone
    • 36950-98-8
    • 5VK8D4E73X
    • 2-(4-Hydroxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
    • 2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
    • DTXSID901284107
    • RefChem:25933
    • DTXCID301714588
    • UNII-5VK8D4E73X
    • CHEMBL479077
    • SCHEMBL2622796
    • SCHEMBL30051182
    • CHEBI:175602
    • BDBM50412294
    • LMPK12111455
    • NS00116261
    • 4a(2)-Hydroxy-5,6,7,8-tetramethoxyflavone
    • Q27262929
    • 2-(4-Hydroxy-phenyl)-5,6,7,8-tetramethoxy-chromen-4-one
    • 2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one
    • 36950-98-8

  • Applications

    4'-Hydroxy-5,6,7,8-Tetramethoxyflavone (CAS 36950-98-8) is primarily used as an intermediate in pharmaceutical synthesis and as a flavonoid scaffold for medicinal chemistry (SAR) studies aimed at developing flavonoid-derived candidates. It is also employed in flavonoid chemistry research in both academic and industrial settings. Specific applications may include use as a precursor in cosmetic and personal care formulations as an antioxidant source or as a starting material for cosmetic actives, subject to local regulations and formulation constraints; and it may serve as a reagent in specialty chemical syntheses across related industries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.68
    methanol 0.61
    isopropanol 0.5
    water 0.0
    ethyl acetate 3.54
    n-propanol 0.84
    acetone 3.61
    n-butanol 0.72
    acetonitrile 2.32
    DMF 10.16
    toluene 0.95
    isobutanol 0.77
    1,4-dioxane 5.69
    methyl acetate 4.9
    THF 15.93
    2-butanone 4.4
    n-pentanol 0.93
    sec-butanol 0.68
    n-hexane 0.07
    ethylene glycol 0.7
    NMP 27.06
    cyclohexane 0.17
    DMSO 16.16
    n-butyl acetate 3.41
    n-octanol 0.87
    chloroform 9.57
    n-propyl acetate 3.41
    acetic acid 4.66
    dichloromethane 14.47
    cyclohexanone 10.58
    propylene glycol 0.37
    isopropyl acetate 2.06
    DMAc 18.46
    2-ethoxyethanol 3.85
    isopentanol 0.96
    n-heptane 0.14
    ethyl formate 2.97
    1,2-dichloroethane 9.95
    n-hexanol 1.09
    2-methoxyethanol 4.92
    isobutyl acetate 2.33
    tetrachloromethane 1.2
    n-pentyl acetate 2.88
    transcutol 6.12
    n-heptanol 1.07
    ethylbenzene 0.88
    MIBK 2.03
    2-propoxyethanol 5.26
    tert-butanol 0.95
    MTBE 0.92
    2-butoxyethanol 3.93
    propionic acid 2.89
    o-xylene 1.06
    formic acid 2.59
    diethyl ether 0.98
    m-xylene 0.76
    p-xylene 1.44
    chlorobenzene 2.64
    dimethyl carbonate 4.44
    n-octane 0.08
    formamide 5.0
    cyclopentanone 17.37
    2-pentanone 2.66
    anisole 1.97
    cyclopentyl methyl ether 3.59
    gamma-butyrolactone 24.64
    1-methoxy-2-propanol 2.58
    pyridine 9.3
    3-pentanone 3.17
    furfural 20.93
    n-dodecane 0.1
    diethylene glycol 5.69
    diisopropyl ether 0.33
    tert-amyl alcohol 1.12
    acetylacetone 6.04
    n-hexadecane 0.12
    acetophenone 4.88
    methyl propionate 4.58
    isopentyl acetate 3.68
    trichloroethylene 23.75
    n-nonanol 1.03
    cyclohexanol 1.48
    benzyl alcohol 2.83
    2-ethylhexanol 1.31
    isooctanol 1.08
    dipropyl ether 1.34
    1,2-dichlorobenzene 3.93
    ethyl lactate 2.4
    propylene carbonate 9.2
    n-methylformamide 4.26
    2-pentanol 0.46
    n-pentane 0.05
    1-propoxy-2-propanol 2.95
    1-methoxy-2-propyl acetate 4.83
    2-(2-methoxypropoxy) propanol 4.5
    mesitylene 0.49
    ε-caprolactone 9.74
    p-cymene 1.22
    epichlorohydrin 25.66
    1,1,1-trichloroethane 5.03
    2-aminoethanol 0.91
    morpholine-4-carbaldehyde 17.13
    sulfolane 35.15
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 6.66
    n-hexyl acetate 2.73
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 4.59
    sec-butyl acetate 2.17
    tert-butyl acetate 2.66
    decalin 0.19
    glycerin 1.76
    diglyme 11.39
    acrylic acid 4.58
    isopropyl myristate 1.38
    n-butyric acid 2.64
    acetyl acetate 3.82
    di(2-ethylhexyl) phthalate 2.4
    ethyl propionate 3.18
    nitromethane 15.24
    1,2-diethoxyethane 2.85
    benzonitrile 4.15
    trioctyl phosphate 1.6
    1-bromopropane 2.26
    gamma-valerolactone 21.3
    n-decanol 0.81
    triethyl phosphate 3.24
    4-methyl-2-pentanol 0.48
    propionitrile 2.54
    vinylene carbonate 8.58
    1,1,2-trichlorotrifluoroethane 21.92
    DMS 5.6
    cumene 0.83
    2-octanol 0.69
    2-hexanone 3.23
    octyl acetate 1.8
    limonene 1.35
    1,2-dimethoxyethane 8.08
    ethyl orthosilicate 2.84
    tributyl phosphate 2.08
    diacetone alcohol 4.11
    N,N-dimethylaniline 2.06
    acrylonitrile 4.93
    aniline 2.02
    1,3-propanediol 1.55
    bromobenzene 2.59
    dibromomethane 6.26
    1,1,2,2-tetrachloroethane 14.48
    2-methyl-cyclohexyl acetate 4.17
    tetrabutyl urea 3.33
    diisobutyl methanol 0.82
    2-phenylethanol 3.73
    styrene 0.88
    dioctyl adipate 2.85
    dimethyl sulfate 11.61
    ethyl butyrate 3.08
    methyl lactate 2.95
    butyl lactate 2.69
    diethyl carbonate 2.87
    propanediol butyl ether 2.05
    triethyl orthoformate 2.92
    p-tert-butyltoluene 0.98
    methyl 4-tert-butylbenzoate 5.28
    morpholine 6.78
    tert-butylamine 0.46
    n-dodecanol 0.65
    dimethoxymethane 6.03
    ethylene carbonate 6.38
    cyrene 8.33
    2-ethoxyethyl acetate 5.1
    2-ethylhexyl acetate 3.18
    1,2,4-trichlorobenzene 5.8
    4-methylpyridine 5.58
    dibutyl ether 1.18
    2,6-dimethyl-4-heptanol 0.82
    DEF 5.35
    dimethyl isosorbide 11.96
    tetrachloroethylene 11.86
    eugenol 5.0
    triacetin 4.68
    span 80 3.01
    1,4-butanediol 0.82
    1,1-dichloroethane 3.75
    2-methyl-1-pentanol 1.25
    methyl formate 5.09
    2-methyl-1-butanol 0.94
    n-decane 0.14
    butyronitrile 1.79
    3,7-dimethyl-1-octanol 1.0
    1-chlorooctane 0.75
    1-chlorotetradecane 0.4
    n-nonane 0.1
    undecane 0.12
    tert-butylcyclohexane 0.14
    cyclooctane 0.07
    cyclopentanol 2.51
    tetrahydropyran 3.39
    tert-amyl methyl ether 1.14
    2,5,8-trioxanonane 8.67
    1-hexene 0.34
    2-isopropoxyethanol 2.83
    2,2,2-trifluoroethanol 3.87
    methyl butyrate 4.25

    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