3'-Hydroxy-4',5',7,8-tetramethoxyflavone

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  • Identifiers

    CAS number
    133342-98-0

    Molecular formula
    C19H18O7

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 56.24%
    Vanilla 53.46%
    Spicy 51.04%
    Sweet 42.28%
    Smoky 41.27%
    Woody 40.47%
    Balsamic 39.39%
    Powdery 36.94%
    Burnt 36.83%
    Fruity 35.85%

     

    Flavor
    Bitter 84.34%
    Bland 24.62%
    Parsley 22.09%
    Eugenol 21.39%
    Cedarleaf 19.71%
    Sweet-like 19.67%
    Lovage 19.35%
    Ripe apricot 18.92%
    Ham 18.78%
    Carrot 18.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.07 (weak base)

    Molecular weight
    358.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    737°C

    Melting point expt.

    • 212 - 213 °C

    Flash point

    • 201.39 ˚C est.

  • Synonyms

    • 3'-Hydroxy-4',5',7,8-tetramethoxyflavone
    • 3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
    • CHEMBL465256
    • SCHEMBL6797692
    • CHEBI:175601
    • DTXSID401156925
    • LMPK12110077
    • 133342-98-0
    • 2-(3-hydroxy-4,5-dimethoxyphenyl)-7,8-dimethoxychromen-4-one
    • 2-(3-Hydroxy-4,5-dimethoxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one
    • 133342-98-0

  • Applications

    3'-Hydroxy-4',5',7,8-tetramethoxyflavone (CAS 133342-98-0) is typically regarded as an intermediate or core scaffold in medicinal chemistry and flavonoid research, supporting the synthesis of bioactive flavonoid derivatives and related compounds. It may also be evaluated as a building block in fragrance and cosmetic formulation research at laboratory scale, depending on regulatory and formulation constraints. In the coatings, polymers, and industrial materials sectors, it can serve as a precursor for derivatives and material development. Additionally, it may be used as an analytical reference compound or research reagent in chemical analysis. Practical applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.16
    methanol 0.13
    isopropanol 0.2
    water 0.0
    ethyl acetate 1.37
    n-propanol 0.3
    acetone 0.98
    n-butanol 0.27
    acetonitrile 0.81
    DMF 4.58
    toluene 0.23
    isobutanol 0.31
    1,4-dioxane 2.1
    methyl acetate 1.76
    THF 4.95
    2-butanone 1.68
    n-pentanol 0.38
    sec-butanol 0.37
    n-hexane 0.06
    ethylene glycol 0.2
    NMP 8.3
    cyclohexane 0.07
    DMSO 7.23
    n-butyl acetate 1.62
    n-octanol 0.51
    chloroform 2.93
    n-propyl acetate 1.46
    acetic acid 1.63
    dichloromethane 4.05
    cyclohexanone 3.03
    propylene glycol 0.11
    isopropyl acetate 1.01
    DMAc 10.2
    2-ethoxyethanol 1.74
    isopentanol 0.4
    n-heptane 0.12
    ethyl formate 0.78
    1,2-dichloroethane 3.14
    n-hexanol 0.48
    2-methoxyethanol 1.64
    isobutyl acetate 0.94
    tetrachloromethane 0.4
    n-pentyl acetate 1.7
    transcutol 5.07
    n-heptanol 0.59
    ethylbenzene 0.29
    MIBK 0.96
    2-propoxyethanol 2.76
    tert-butanol 0.46
    MTBE 0.69
    2-butoxyethanol 2.27
    propionic acid 1.04
    o-xylene 0.36
    formic acid 0.71
    diethyl ether 0.75
    m-xylene 0.21
    p-xylene 0.46
    chlorobenzene 0.52
    dimethyl carbonate 1.95
    n-octane 0.07
    formamide 1.57
    cyclopentanone 4.66
    2-pentanone 1.07
    anisole 0.82
    cyclopentyl methyl ether 1.52
    gamma-butyrolactone 6.8
    1-methoxy-2-propanol 1.17
    pyridine 2.41
    3-pentanone 1.56
    furfural 5.58
    n-dodecane 0.07
    diethylene glycol 2.38
    diisopropyl ether 0.29
    tert-amyl alcohol 0.69
    acetylacetone 2.12
    n-hexadecane 0.08
    acetophenone 1.67
    methyl propionate 1.86
    isopentyl acetate 1.84
    trichloroethylene 6.38
    n-nonanol 0.67
    cyclohexanol 0.54
    benzyl alcohol 0.77
    2-ethylhexanol 0.69
    isooctanol 0.65
    dipropyl ether 1.23
    1,2-dichlorobenzene 1.01
    ethyl lactate 1.06
    propylene carbonate 2.29
    n-methylformamide 1.34
    2-pentanol 0.26
    n-pentane 0.03
    1-propoxy-2-propanol 1.95
    1-methoxy-2-propyl acetate 2.66
    2-(2-methoxypropoxy) propanol 3.29
    mesitylene 0.18
    ε-caprolactone 3.11
    p-cymene 0.58
    epichlorohydrin 7.94
    1,1,1-trichloroethane 1.52
    2-aminoethanol 0.27
    morpholine-4-carbaldehyde 7.06
    sulfolane 12.53
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 2.39
    n-hexyl acetate 1.68
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 3.09
    sec-butyl acetate 1.05
    tert-butyl acetate 1.53
    decalin 0.1
    glycerin 0.62
    diglyme 8.29
    acrylic acid 1.5
    isopropyl myristate 0.91
    n-butyric acid 0.91
    acetyl acetate 1.25
    di(2-ethylhexyl) phthalate 1.18
    ethyl propionate 1.7
    nitromethane 5.55
    1,2-diethoxyethane 2.46
    benzonitrile 1.0
    trioctyl phosphate 0.84
    1-bromopropane 0.93
    gamma-valerolactone 6.46
    n-decanol 0.51
    triethyl phosphate 1.93
    4-methyl-2-pentanol 0.27
    propionitrile 0.93
    vinylene carbonate 2.26
    1,1,2-trichlorotrifluoroethane 7.67
    DMS 2.81
    cumene 0.31
    2-octanol 0.47
    2-hexanone 1.42
    octyl acetate 1.11
    limonene 0.72
    1,2-dimethoxyethane 4.72
    ethyl orthosilicate 1.85
    tributyl phosphate 1.11
    diacetone alcohol 1.95
    N,N-dimethylaniline 1.05
    acrylonitrile 1.58
    aniline 0.56
    1,3-propanediol 0.46
    bromobenzene 0.48
    dibromomethane 1.81
    1,1,2,2-tetrachloroethane 4.79
    2-methyl-cyclohexyl acetate 2.03
    tetrabutyl urea 1.86
    diisobutyl methanol 0.55
    2-phenylethanol 1.23
    styrene 0.25
    dioctyl adipate 1.76
    dimethyl sulfate 5.59
    ethyl butyrate 1.7
    methyl lactate 1.25
    butyl lactate 1.45
    diethyl carbonate 1.51
    propanediol butyl ether 1.1
    triethyl orthoformate 2.03
    p-tert-butyltoluene 0.54
    methyl 4-tert-butylbenzoate 3.07
    morpholine 2.61
    tert-butylamine 0.26
    n-dodecanol 0.41
    dimethoxymethane 2.87
    ethylene carbonate 1.82
    cyrene 3.82
    2-ethoxyethyl acetate 3.17
    2-ethylhexyl acetate 1.6
    1,2,4-trichlorobenzene 1.51
    4-methylpyridine 1.35
    dibutyl ether 1.07
    2,6-dimethyl-4-heptanol 0.55
    DEF 2.8
    dimethyl isosorbide 7.48
    tetrachloroethylene 3.44
    eugenol 2.86
    triacetin 2.98
    span 80 1.84
    1,4-butanediol 0.27
    1,1-dichloroethane 1.13
    2-methyl-1-pentanol 0.63
    methyl formate 1.31
    2-methyl-1-butanol 0.44
    n-decane 0.12
    butyronitrile 0.59
    3,7-dimethyl-1-octanol 0.61
    1-chlorooctane 0.51
    1-chlorotetradecane 0.24
    n-nonane 0.09
    undecane 0.09
    tert-butylcyclohexane 0.08
    cyclooctane 0.04
    cyclopentanol 0.72
    tetrahydropyran 1.25
    tert-amyl methyl ether 0.93
    2,5,8-trioxanonane 6.1
    1-hexene 0.19
    2-isopropoxyethanol 1.55
    2,2,2-trifluoroethanol 1.68
    methyl butyrate 1.88

    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