7,8,3',4',5'-Pentamethoxyflavone

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  • Identifiers

    CAS number
    133342-97-9

    Molecular formula
    C20H20O7

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

    Safety labels

  • Odor profile

    Fragrance
    Spicy 52.91%
    Vanilla 52.37%
    Phenolic 50.22%
    Floral 42.2%
    Sweet 42.05%
    Woody 41.06%
    Fruity 38.71%
    Powdery 38.59%
    Smoky 38.32%
    Balsamic 37.65%

     

    Flavor
    Bitter 84.69%
    Bland 23.58%
    Parsley 22.36%
    Eugenol 21.13%
    Cedarleaf 19.72%
    Sweet-like 19.41%
    Lovage 19.24%
    Ripe apricot 19.02%
    Carrot 18.85%
    Red fruit 18.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    6.76 (neutral)

    Molecular weight
    372.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    692°C

    Melting point expt.

    • 206 °C

    Flash point

    • 194.4 ˚C est.

  • Synonyms

    • 7,8,3',4',5'-pentamethoxyflavone
    • 3',4',5',7,8-Pentamethoxyflavone
    • 7,8-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
    • RefChem:1074259
    • CHEMBL465255
    • CHEBI:175783
    • DTXSID401176608
    • BDBM50025478
    • LMPK12110078
    • 133342-97-9
    • 7,8,3'''',4'''',5''''-Pentamethoxyflavone
    • 7,8-Dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one
    • 133342-97-9

  • Applications

    7,8,3',4',5'-Pentamethoxyflavone (CAS 133342-97-9) is viewed as an intermediate and building block in flavonoid synthesis, with potential applications across multiple industries; in practice, it may be used as a component or precursor in perfumery/fragrance and cosmetics/personal care; it is also evaluated as an intermediate for the synthesis of flavonoid-based pharmaceuticals and for agricultural chemicals (agrochemicals); additionally, its lipophilic character and aromatic framework make it a building block for specialty chemicals used in coatings/inks and polymer systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.5
    methanol 0.39
    isopropanol 0.49
    water 0.0
    ethyl acetate 4.52
    n-propanol 0.72
    acetone 3.51
    n-butanol 0.59
    acetonitrile 3.02
    DMF 8.01
    toluene 1.01
    isobutanol 0.68
    1,4-dioxane 6.6
    methyl acetate 5.63
    THF 10.84
    2-butanone 4.18
    n-pentanol 0.87
    sec-butanol 0.75
    n-hexane 0.19
    ethylene glycol 0.45
    NMP 14.87
    cyclohexane 0.37
    DMSO 11.35
    n-butyl acetate 3.62
    n-octanol 1.05
    chloroform 13.51
    n-propyl acetate 3.98
    acetic acid 4.25
    dichloromethane 18.86
    cyclohexanone 8.01
    propylene glycol 0.2
    isopropyl acetate 2.78
    DMAc 15.6
    2-ethoxyethanol 3.38
    isopentanol 0.81
    n-heptane 0.34
    ethyl formate 2.67
    1,2-dichloroethane 11.26
    n-hexanol 0.98
    2-methoxyethanol 2.98
    isobutyl acetate 2.44
    tetrachloromethane 2.04
    n-pentyl acetate 3.77
    transcutol 7.05
    n-heptanol 1.12
    ethylbenzene 1.02
    MIBK 2.2
    2-propoxyethanol 4.15
    tert-butanol 0.91
    MTBE 1.45
    2-butoxyethanol 3.53
    propionic acid 2.5
    o-xylene 1.24
    formic acid 1.85
    diethyl ether 2.06
    m-xylene 0.77
    p-xylene 1.68
    chlorobenzene 2.4
    dimethyl carbonate 4.67
    n-octane 0.23
    formamide 4.02
    cyclopentanone 10.99
    2-pentanone 2.77
    anisole 2.23
    cyclopentyl methyl ether 3.55
    gamma-butyrolactone 16.39
    1-methoxy-2-propanol 1.91
    pyridine 7.72
    3-pentanone 3.92
    furfural 14.17
    n-dodecane 0.2
    diethylene glycol 3.8
    diisopropyl ether 0.72
    tert-amyl alcohol 1.16
    acetylacetone 5.84
    n-hexadecane 0.24
    acetophenone 4.61
    methyl propionate 5.01
    isopentyl acetate 3.74
    trichloroethylene 24.11
    n-nonanol 1.27
    cyclohexanol 1.26
    benzyl alcohol 2.06
    2-ethylhexanol 1.33
    isooctanol 1.16
    dipropyl ether 2.23
    1,2-dichlorobenzene 4.12
    ethyl lactate 2.18
    propylene carbonate 6.33
    n-methylformamide 3.22
    2-pentanol 0.54
    n-pentane 0.13
    1-propoxy-2-propanol 2.74
    1-methoxy-2-propyl acetate 5.18
    2-(2-methoxypropoxy) propanol 4.54
    mesitylene 0.6
    ε-caprolactone 8.0
    p-cymene 1.47
    epichlorohydrin 19.96
    1,1,1-trichloroethane 6.46
    2-aminoethanol 0.55
    morpholine-4-carbaldehyde 12.9
    sulfolane 22.11
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 5.76
    n-hexyl acetate 3.43
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 4.53
    sec-butyl acetate 2.69
    tert-butyl acetate 3.34
    decalin 0.31
    glycerin 0.9
    diglyme 12.92
    acrylic acid 3.59
    isopropyl myristate 1.68
    n-butyric acid 2.19
    acetyl acetate 4.59
    di(2-ethylhexyl) phthalate 2.27
    ethyl propionate 4.28
    nitromethane 15.15
    1,2-diethoxyethane 4.59
    benzonitrile 3.23
    trioctyl phosphate 1.52
    1-bromopropane 3.03
    gamma-valerolactone 14.47
    n-decanol 0.99
    triethyl phosphate 3.79
    4-methyl-2-pentanol 0.53
    propionitrile 2.67
    vinylene carbonate 6.69
    1,1,2-trichlorotrifluoroethane 15.53
    DMS 6.33
    cumene 0.99
    2-octanol 0.91
    2-hexanone 3.4
    octyl acetate 2.12
    limonene 1.56
    1,2-dimethoxyethane 8.81
    ethyl orthosilicate 3.5
    tributyl phosphate 2.08
    diacetone alcohol 3.27
    N,N-dimethylaniline 2.36
    acrylonitrile 4.33
    aniline 1.59
    1,3-propanediol 0.93
    bromobenzene 2.48
    dibromomethane 8.65
    1,1,2,2-tetrachloroethane 14.76
    2-methyl-cyclohexyl acetate 4.25
    tetrabutyl urea 3.29
    diisobutyl methanol 0.98
    2-phenylethanol 2.85
    styrene 0.97
    dioctyl adipate 3.29
    dimethyl sulfate 11.17
    ethyl butyrate 3.9
    methyl lactate 2.2
    butyl lactate 2.62
    diethyl carbonate 3.48
    propanediol butyl ether 1.7
    triethyl orthoformate 3.86
    p-tert-butyltoluene 1.18
    methyl 4-tert-butylbenzoate 5.36
    morpholine 6.15
    tert-butylamine 0.53
    n-dodecanol 0.8
    dimethoxymethane 5.83
    ethylene carbonate 5.34
    cyrene 6.78
    2-ethoxyethyl acetate 6.77
    2-ethylhexyl acetate 3.47
    1,2,4-trichlorobenzene 5.66
    4-methylpyridine 4.35
    dibutyl ether 2.0
    2,6-dimethyl-4-heptanol 0.98
    DEF 5.74
    dimethyl isosorbide 11.38
    tetrachloroethylene 12.59
    eugenol 5.11
    triacetin 6.01
    span 80 2.88
    1,4-butanediol 0.64
    1,1-dichloroethane 4.67
    2-methyl-1-pentanol 1.22
    methyl formate 3.65
    2-methyl-1-butanol 0.85
    n-decane 0.34
    butyronitrile 1.77
    3,7-dimethyl-1-octanol 1.15
    1-chlorooctane 1.23
    1-chlorotetradecane 0.58
    n-nonane 0.27
    undecane 0.25
    tert-butylcyclohexane 0.21
    cyclooctane 0.16
    cyclopentanol 1.74
    tetrahydropyran 3.73
    tert-amyl methyl ether 1.66
    2,5,8-trioxanonane 9.25
    1-hexene 0.58
    2-isopropoxyethanol 3.0
    2,2,2-trifluoroethanol 4.51
    methyl butyrate 4.61

    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