5,6,7,3',4',5'-Hexamethoxyflavone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    29043-07-0

    Molecular formula
    C21H22O8

    SMILES
    COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Spicy 52.41%
    Phenolic 48.21%
    Vanilla 44.33%
    Woody 41.34%
    Floral 39.95%
    Fruity 37.2%
    Smoky 36.45%
    Balsamic 34.91%
    Powdery 33.73%
    Sweet 32.46%

     

    Flavor
    Bitter 78.36%
    Bland 24.94%
    Parsley 22.84%
    Eugenol 21.37%
    Cedarleaf 20.01%
    Carrot 19.61%
    Sweet-like 19.54%
    Lovage 19.31%
    Ripe apricot 19.26%
    Green pepper 18.89%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.26 (neutral)

    Molecular weight
    402.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    773°C

    Flash point

    • 203.31 ˚C est.

  • Synonyms

    • 29043-07-0
    • 5,6,7,3',4',5'-Hexamethoxyflavone
    • 5,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
    • DTXSID40183280
    • RefChem:101067
    • 5673'4'5'-Hexamethoxyflavone
    • DTXCID50105771
    • 5673'4'5'-Hexamethoxy flavone
    • 894-613-8
    • 3',4',5',5,6,7-HEXAMETHOXYFLAVONE
    • 3',4',5,5',6,7-Hexamethoxyflavone
    • 5,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
    • MFCD00017679
    • 4H-1-Benzopyran-4-one, 5,6,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)-
    • CHEMBL370963
    • 3 inverted exclamation marka,4 inverted exclamation marka,5 inverted exclamation marka,5,6,7-Hexamethoxyflavone
    • orb1683690
    • SCHEMBL1765114
    • HY-N9179
    • BDBM50420208
    • LMPK12111278
    • AKOS027380195
    • FH66258
    • FS-6823
    • DB-047508
    • 3??,4??,5??,5,6,7-Hexamethoxyflavone
    • CS-0158930
    • ST50331618
    • H63706
    • 5,6,7-Trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one
    • 29043-07-0

  • Applications

    5,6,7,3',4',5'-Hexamethoxyflavone is commonly evaluated as a specialty intermediate and building block in organic synthesis for pharmaceutical and related research. It can serve as a fragrance-related building block or precursor in the flavor and fragrance industries and may be used as a formulation component in cosmetics and personal care. In polymer and coatings sectors it is explored as a chromophore/functional additive for niche formulations, and in coatings and inks as a specialty additive. It may also find use in household products as a fragrance ingredient in limited, formulation-controlled applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.35
    methanol 0.32
    isopropanol 0.28
    water 0.0
    ethyl acetate 4.05
    n-propanol 0.47
    acetone 2.98
    n-butanol 0.4
    acetonitrile 2.65
    DMF 6.8
    toluene 0.74
    isobutanol 0.45
    1,4-dioxane 5.08
    methyl acetate 5.1
    THF 9.01
    2-butanone 3.8
    n-pentanol 0.53
    sec-butanol 0.45
    n-hexane 0.09
    ethylene glycol 0.31
    NMP 17.66
    cyclohexane 0.21
    DMSO 11.3
    n-butyl acetate 3.37
    n-octanol 0.7
    chloroform 12.58
    n-propyl acetate 3.13
    acetic acid 3.0
    dichloromethane 17.52
    cyclohexanone 7.26
    propylene glycol 0.15
    isopropyl acetate 2.04
    DMAc 14.15
    2-ethoxyethanol 2.24
    isopentanol 0.53
    n-heptane 0.16
    ethyl formate 2.77
    1,2-dichloroethane 10.5
    n-hexanol 0.7
    2-methoxyethanol 2.29
    isobutyl acetate 1.84
    tetrachloromethane 1.76
    n-pentyl acetate 2.83
    transcutol 4.07
    n-heptanol 0.71
    ethylbenzene 0.68
    MIBK 1.63
    2-propoxyethanol 3.26
    tert-butanol 0.49
    MTBE 0.84
    2-butoxyethanol 2.52
    propionic acid 2.03
    o-xylene 0.8
    formic acid 1.48
    diethyl ether 1.14
    m-xylene 0.51
    p-xylene 1.15
    chlorobenzene 2.41
    dimethyl carbonate 3.84
    n-octane 0.11
    formamide 3.02
    cyclopentanone 10.47
    2-pentanone 2.28
    anisole 1.67
    cyclopentyl methyl ether 2.59
    gamma-butyrolactone 16.59
    1-methoxy-2-propanol 1.28
    pyridine 6.91
    3-pentanone 3.31
    furfural 14.95
    n-dodecane 0.1
    diethylene glycol 2.88
    diisopropyl ether 0.37
    tert-amyl alcohol 0.68
    acetylacetone 5.07
    n-hexadecane 0.12
    acetophenone 3.84
    methyl propionate 4.47
    isopentyl acetate 3.17
    trichloroethylene 23.69
    n-nonanol 0.83
    cyclohexanol 0.8
    benzyl alcohol 1.54
    2-ethylhexanol 0.89
    isooctanol 0.71
    dipropyl ether 1.31
    1,2-dichlorobenzene 3.97
    ethyl lactate 1.7
    propylene carbonate 6.75
    n-methylformamide 3.0
    2-pentanol 0.29
    n-pentane 0.06
    1-propoxy-2-propanol 1.92
    1-methoxy-2-propyl acetate 4.39
    2-(2-methoxypropoxy) propanol 3.22
    mesitylene 0.35
    ε-caprolactone 7.44
    p-cymene 0.94
    epichlorohydrin 19.08
    1,1,1-trichloroethane 6.02
    2-aminoethanol 0.4
    morpholine-4-carbaldehyde 11.98
    sulfolane 24.74
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 4.92
    n-hexyl acetate 2.77
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 3.01
    sec-butyl acetate 1.91
    tert-butyl acetate 2.36
    decalin 0.19
    glycerin 0.67
    diglyme 9.02
    acrylic acid 2.93
    isopropyl myristate 1.3
    n-butyric acid 1.78
    acetyl acetate 4.04
    di(2-ethylhexyl) phthalate 1.88
    ethyl propionate 3.32
    nitromethane 13.21
    1,2-diethoxyethane 2.9
    benzonitrile 3.01
    trioctyl phosphate 1.27
    1-bromopropane 2.59
    gamma-valerolactone 13.98
    n-decanol 0.64
    triethyl phosphate 3.17
    4-methyl-2-pentanol 0.28
    propionitrile 2.25
    vinylene carbonate 7.17
    1,1,2-trichlorotrifluoroethane 15.02
    DMS 5.53
    cumene 0.65
    2-octanol 0.51
    2-hexanone 2.84
    octyl acetate 1.71
    limonene 1.1
    1,2-dimethoxyethane 6.64
    ethyl orthosilicate 2.53
    tributyl phosphate 1.8
    diacetone alcohol 2.47
    N,N-dimethylaniline 1.53
    acrylonitrile 4.01
    aniline 1.26
    1,3-propanediol 0.66
    bromobenzene 2.47
    dibromomethane 7.64
    1,1,2,2-tetrachloroethane 14.68
    2-methyl-cyclohexyl acetate 3.48
    tetrabutyl urea 2.87
    diisobutyl methanol 0.56
    2-phenylethanol 2.24
    styrene 0.7
    dioctyl adipate 2.55
    dimethyl sulfate 10.76
    ethyl butyrate 3.1
    methyl lactate 1.91
    butyl lactate 2.01
    diethyl carbonate 2.92
    propanediol butyl ether 1.12
    triethyl orthoformate 2.7
    p-tert-butyltoluene 0.72
    methyl 4-tert-butylbenzoate 4.04
    morpholine 4.75
    tert-butylamine 0.27
    n-dodecanol 0.51
    dimethoxymethane 4.08
    ethylene carbonate 5.29
    cyrene 5.57
    2-ethoxyethyl acetate 5.06
    2-ethylhexyl acetate 3.02
    1,2,4-trichlorobenzene 5.38
    4-methylpyridine 4.05
    dibutyl ether 1.23
    2,6-dimethyl-4-heptanol 0.56
    DEF 4.89
    dimethyl isosorbide 8.88
    tetrachloroethylene 11.45
    eugenol 3.69
    triacetin 4.45
    span 80 1.94
    1,4-butanediol 0.4
    1,1-dichloroethane 4.01
    2-methyl-1-pentanol 0.76
    methyl formate 3.57
    2-methyl-1-butanol 0.56
    n-decane 0.17
    butyronitrile 1.48
    3,7-dimethyl-1-octanol 0.78
    1-chlorooctane 0.86
    1-chlorotetradecane 0.4
    n-nonane 0.14
    undecane 0.13
    tert-butylcyclohexane 0.11
    cyclooctane 0.08
    cyclopentanol 1.25
    tetrahydropyran 2.68
    tert-amyl methyl ether 1.08
    2,5,8-trioxanonane 6.41
    1-hexene 0.33
    2-isopropoxyethanol 1.75
    2,2,2-trifluoroethanol 3.33
    methyl butyrate 3.98

    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