5,6-Dimethoxyflavone

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  • Identifiers

    CAS number
    33554-48-2

    Molecular formula
    C17H14O4

    SMILES
    COC1=C(C2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 56.48%
    Phenolic 45.59%
    Vanilla 42.34%
    Spicy 40.41%
    Powdery 39.14%
    Fruity 38.82%
    Floral 38.48%
    Balsamic 35.44%
    Woody 28.84%
    Smoky 28.03%

     

    Flavor
    Bitter 86.5%
    Balsam 22.16%
    Parsley 20.73%
    Lovage 20.13%
    Eugenol 19.56%
    Aniseed 19.51%
    Tarragon 19.45%
    Cedarleaf 19.4%
    Naphthalic 19.29%
    Tonka 19.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.97 (neutral)

    Molecular weight
    282.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    496°C

    Melting point expt.

    • 199 °C

    Flash point

    • 174.52 ˚C est.

  • Synonyms

    • 5,6-Dimethoxyflavone
    • 5,6-Dimethoxyflavon
    • SCHEMBL28645437
    • CHEBI:174687
    • DTXSID001256408
    • LMPK12110102
    • 5,6-dimethoxy-2-phenylchromen-4-one
    • 33554-48-2
    • 5,6-Dimethoxy-2-phenyl-4H-1-benzopyran-4-one
    • 33554-48-2

  • Applications

    5,6-Dimethoxyflavone (CAS 33554-48-2) is primarily used as an intermediate in organic synthesis for flavonoid chemistry, enabling the preparation of flavone-based drug leads and natural-product analogs in pharmaceutical research. It is also utilized as a building block in cosmetics and personal care and in fragrance and flavor development, where it can serve as a precursor for flavone-derived ingredients or scent components. In materials science, it has been evaluated as an antioxidant and stabilizer additive for polymers, coatings, and inks to mitigate oxidative degradation. It also functions as a research reagent in flavonoid chemistry and analytical studies, including method development and standardization. Its use is subject to proper handling and local formulation restrictions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.27
    methanol 1.98
    isopropanol 1.75
    water 0.0
    ethyl acetate 14.69
    n-propanol 2.36
    acetone 20.73
    n-butanol 2.12
    acetonitrile 12.72
    DMF 43.06
    toluene 9.2
    isobutanol 2.35
    1,4-dioxane 26.4
    methyl acetate 21.68
    THF 79.72
    2-butanone 18.58
    n-pentanol 2.75
    sec-butanol 1.94
    n-hexane 0.29
    ethylene glycol 1.69
    NMP 48.96
    cyclohexane 0.72
    DMSO 57.81
    n-butyl acetate 12.67
    n-octanol 2.39
    chloroform 77.12
    n-propyl acetate 14.22
    acetic acid 14.26
    dichloromethane 138.19
    cyclohexanone 34.65
    propylene glycol 0.97
    isopropyl acetate 10.51
    DMAc 53.68
    2-ethoxyethanol 10.87
    isopentanol 3.33
    n-heptane 0.55
    ethyl formate 10.07
    1,2-dichloroethane 88.17
    n-hexanol 3.81
    2-methoxyethanol 14.25
    isobutyl acetate 10.64
    tetrachloromethane 4.3
    n-pentyl acetate 9.22
    transcutol 32.7
    n-heptanol 2.99
    ethylbenzene 5.41
    MIBK 10.71
    2-propoxyethanol 14.67
    tert-butanol 3.61
    MTBE 5.0
    2-butoxyethanol 9.86
    propionic acid 7.67
    o-xylene 5.85
    formic acid 4.33
    diethyl ether 6.11
    m-xylene 5.36
    p-xylene 7.62
    chlorobenzene 18.66
    dimethyl carbonate 16.15
    n-octane 0.38
    formamide 12.0
    cyclopentanone 58.9
    2-pentanone 11.85
    anisole 13.02
    cyclopentyl methyl ether 18.56
    gamma-butyrolactone 74.71
    1-methoxy-2-propanol 8.53
    pyridine 42.77
    3-pentanone 12.94
    furfural 67.04
    n-dodecane 0.47
    diethylene glycol 14.23
    diisopropyl ether 2.32
    tert-amyl alcohol 3.37
    acetylacetone 29.57
    n-hexadecane 0.57
    acetophenone 18.93
    methyl propionate 16.59
    isopentyl acetate 14.2
    trichloroethylene 162.3
    n-nonanol 3.0
    cyclohexanol 4.62
    benzyl alcohol 11.06
    2-ethylhexanol 4.53
    isooctanol 3.36
    dipropyl ether 6.6
    1,2-dichlorobenzene 21.11
    ethyl lactate 7.37
    propylene carbonate 27.08
    n-methylformamide 13.74
    2-pentanol 1.58
    n-pentane 0.2
    1-propoxy-2-propanol 9.28
    1-methoxy-2-propyl acetate 18.81
    2-(2-methoxypropoxy) propanol 13.89
    mesitylene 3.25
    ε-caprolactone 27.59
    p-cymene 5.08
    epichlorohydrin 129.17
    1,1,1-trichloroethane 35.39
    2-aminoethanol 2.24
    morpholine-4-carbaldehyde 46.67
    sulfolane 90.06
    2,2,4-trimethylpentane 0.34
    2-methyltetrahydrofuran 27.94
    n-hexyl acetate 9.77
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 14.49
    sec-butyl acetate 10.07
    tert-butyl acetate 12.8
    decalin 0.91
    glycerin 4.23
    diglyme 40.84
    acrylic acid 11.33
    isopropyl myristate 5.51
    n-butyric acid 8.15
    acetyl acetate 15.64
    di(2-ethylhexyl) phthalate 7.29
    ethyl propionate 13.5
    nitromethane 51.28
    1,2-diethoxyethane 15.28
    benzonitrile 16.6
    trioctyl phosphate 4.34
    1-bromopropane 15.55
    gamma-valerolactone 63.63
    n-decanol 2.54
    triethyl phosphate 10.42
    4-methyl-2-pentanol 2.09
    propionitrile 10.54
    vinylene carbonate 28.69
    1,1,2-trichlorotrifluoroethane 56.01
    DMS 22.03
    cumene 4.22
    2-octanol 2.13
    2-hexanone 12.98
    octyl acetate 6.44
    limonene 5.79
    1,2-dimethoxyethane 31.48
    ethyl orthosilicate 9.36
    tributyl phosphate 6.28
    diacetone alcohol 14.38
    N,N-dimethylaniline 9.85
    acrylonitrile 20.57
    aniline 10.99
    1,3-propanediol 4.17
    bromobenzene 21.11
    dibromomethane 56.18
    1,1,2,2-tetrachloroethane 87.39
    2-methyl-cyclohexyl acetate 13.85
    tetrabutyl urea 9.48
    diisobutyl methanol 3.78
    2-phenylethanol 12.2
    styrene 6.47
    dioctyl adipate 10.15
    dimethyl sulfate 36.04
    ethyl butyrate 12.39
    methyl lactate 8.86
    butyl lactate 7.11
    diethyl carbonate 10.72
    propanediol butyl ether 5.14
    triethyl orthoformate 10.64
    p-tert-butyltoluene 4.13
    methyl 4-tert-butylbenzoate 16.83
    morpholine 26.41
    tert-butylamine 2.05
    n-dodecanol 2.2
    dimethoxymethane 27.46
    ethylene carbonate 20.57
    cyrene 19.48
    2-ethoxyethyl acetate 17.93
    2-ethylhexyl acetate 11.55
    1,2,4-trichlorobenzene 27.3
    4-methylpyridine 24.85
    dibutyl ether 5.9
    2,6-dimethyl-4-heptanol 3.78
    DEF 18.85
    dimethyl isosorbide 36.66
    tetrachloroethylene 54.53
    eugenol 16.45
    triacetin 15.95
    span 80 8.69
    1,4-butanediol 2.1
    1,1-dichloroethane 31.47
    2-methyl-1-pentanol 4.25
    methyl formate 17.2
    2-methyl-1-butanol 2.86
    n-decane 0.67
    butyronitrile 7.61
    3,7-dimethyl-1-octanol 3.56
    1-chlorooctane 3.26
    1-chlorotetradecane 1.8
    n-nonane 0.53
    undecane 0.55
    tert-butylcyclohexane 0.69
    cyclooctane 0.27
    cyclopentanol 6.98
    tetrahydropyran 18.16
    tert-amyl methyl ether 5.1
    2,5,8-trioxanonane 29.69
    1-hexene 1.79
    2-isopropoxyethanol 8.74
    2,2,2-trifluoroethanol 9.99
    methyl butyrate 16.41

    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