5,7-Dihydroxy-3,6-dimethoxyflavone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    59917-40-7

    Molecular formula
    C17H14O6

    SMILES
    COC1=C(C2=C(C=C1O)OC(=C(C2=O)OC)C3=CC=CC=C3)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 55.64%
    Burnt 39.66%
    Spicy 39.23%
    Smoky 34.83%
    Fruity 33.31%
    Vanilla 31.8%
    Odorless 31.31%
    Woody 29.07%
    Balsamic 28.84%
    Sweet 27.07%

     

    Flavor
    Bitter 79.12%
    Parsley 21.87%
    Eugenol 21.81%
    Bland 20.62%
    Ham 20.34%
    Lovage 20.3%
    Cedarleaf 20.2%
    Sweet-like 19.95%
    Allspice 19.88%
    Ethyl benzoate 19.87%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.02 (weak base)

    Molecular weight
    314.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    777°C

    Flash point

    • 198.68 ˚C est.

  • Synonyms

    • 5,7-Dihydroxy-3,6-dimethoxyflavone
    • 3-O-Methylalnusin
    • 59917-40-7
    • Alnusin 3-methyl ether
    • 5,7-dihydroxy-3,6-dimethoxy-2-phenyl-4H-chromen-4-one
    • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3,6-dimethoxy-2-phenyl-
    • SCHEMBL27559447
    • DTXSID20420504
    • LMPK12112804
    • 5,7-Dihydroxy-3,6-dimethoxy-2-phenyl-chromen-4-one
    • 5,7-Dihydroxy-3,6-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
    • NCGC00384486-01!5,7-dihydroxy-3,6-dimethoxy-2-phenylchromen-4-one
    • 59917-40-7

  • Applications

    5,7-Dihydroxy-3,6-dimethoxyflavone (CAS 59917-40-7) is primarily used as an intermediate in the synthesis of flavonoid-based fine chemicals and pharmaceutical intermediates; it is often evaluated for cosmetic/personal care applications as an antioxidant and potential UV-absorbing component; in research contexts it serves as a flavonoid building block or reference standard for analytical and synthetic studies; and in materials-focused formulations it is explored as a functional precursor or colorant/UV-stabilizing additive for specialty coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.5
    methanol 0.44
    isopropanol 0.48
    water 0.0
    ethyl acetate 1.88
    n-propanol 0.79
    acetone 1.44
    n-butanol 0.77
    acetonitrile 0.77
    DMF 12.42
    toluene 0.35
    isobutanol 0.74
    1,4-dioxane 2.26
    methyl acetate 2.29
    THF 12.82
    2-butanone 2.75
    n-pentanol 0.8
    sec-butanol 0.83
    n-hexane 0.02
    ethylene glycol 0.82
    NMP 32.26
    cyclohexane 0.04
    DMSO 24.76
    n-butyl acetate 2.25
    n-octanol 0.7
    chloroform 1.68
    n-propyl acetate 1.84
    acetic acid 3.79
    dichloromethane 3.38
    cyclohexanone 6.77
    propylene glycol 0.82
    isopropyl acetate 1.45
    DMAc 19.1
    2-ethoxyethanol 4.02
    isopentanol 1.04
    n-heptane 0.06
    ethyl formate 1.29
    1,2-dichloroethane 3.41
    n-hexanol 1.03
    2-methoxyethanol 7.5
    isobutyl acetate 1.16
    tetrachloromethane 0.17
    n-pentyl acetate 2.06
    transcutol 14.55
    n-heptanol 0.93
    ethylbenzene 0.32
    MIBK 1.67
    2-propoxyethanol 6.24
    tert-butanol 1.07
    MTBE 0.74
    2-butoxyethanol 4.12
    propionic acid 2.5
    o-xylene 0.48
    formic acid 2.17
    diethyl ether 0.59
    m-xylene 0.38
    p-xylene 0.39
    chlorobenzene 0.77
    dimethyl carbonate 3.68
    n-octane 0.03
    formamide 4.59
    cyclopentanone 12.65
    2-pentanone 1.97
    anisole 1.14
    cyclopentyl methyl ether 3.26
    gamma-butyrolactone 18.57
    1-methoxy-2-propanol 5.53
    pyridine 4.15
    3-pentanone 1.99
    furfural 15.48
    n-dodecane 0.04
    diethylene glycol 7.05
    diisopropyl ether 0.26
    tert-amyl alcohol 1.43
    acetylacetone 4.27
    n-hexadecane 0.05
    acetophenone 2.93
    methyl propionate 3.56
    isopentyl acetate 2.52
    trichloroethylene 8.1
    n-nonanol 0.85
    cyclohexanol 1.56
    benzyl alcohol 1.93
    2-ethylhexanol 1.14
    isooctanol 0.98
    dipropyl ether 1.13
    1,2-dichlorobenzene 1.31
    ethyl lactate 2.65
    propylene carbonate 6.06
    n-methylformamide 3.85
    2-pentanol 0.62
    n-pentane 0.02
    1-propoxy-2-propanol 4.42
    1-methoxy-2-propyl acetate 5.61
    2-(2-methoxypropoxy) propanol 6.21
    mesitylene 0.25
    ε-caprolactone 7.49
    p-cymene 0.7
    epichlorohydrin 19.25
    1,1,1-trichloroethane 1.04
    2-aminoethanol 1.26
    morpholine-4-carbaldehyde 18.85
    sulfolane 43.67
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 4.48
    n-hexyl acetate 2.48
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 6.87
    sec-butyl acetate 1.34
    tert-butyl acetate 2.44
    decalin 0.07
    glycerin 4.3
    diglyme 14.86
    acrylic acid 4.0
    isopropyl myristate 1.05
    n-butyric acid 2.5
    acetyl acetate 1.74
    di(2-ethylhexyl) phthalate 1.88
    ethyl propionate 2.11
    nitromethane 9.3
    1,2-diethoxyethane 2.74
    benzonitrile 1.79
    trioctyl phosphate 1.33
    1-bromopropane 0.8
    gamma-valerolactone 19.87
    n-decanol 0.64
    triethyl phosphate 2.46
    4-methyl-2-pentanol 0.61
    propionitrile 1.22
    vinylene carbonate 5.12
    1,1,2-trichlorotrifluoroethane 22.09
    DMS 4.44
    cumene 0.33
    2-octanol 0.61
    2-hexanone 1.93
    octyl acetate 1.43
    limonene 1.01
    1,2-dimethoxyethane 6.98
    ethyl orthosilicate 2.18
    tributyl phosphate 1.59
    diacetone alcohol 5.85
    N,N-dimethylaniline 1.45
    acrylonitrile 2.7
    aniline 1.48
    1,3-propanediol 2.06
    bromobenzene 0.65
    dibromomethane 1.3
    1,1,2,2-tetrachloroethane 6.16
    2-methyl-cyclohexyl acetate 2.8
    tetrabutyl urea 2.7
    diisobutyl methanol 0.84
    2-phenylethanol 2.56
    styrene 0.31
    dioctyl adipate 2.41
    dimethyl sulfate 12.63
    ethyl butyrate 2.21
    methyl lactate 5.05
    butyl lactate 3.03
    diethyl carbonate 1.85
    propanediol butyl ether 3.45
    triethyl orthoformate 2.49
    p-tert-butyltoluene 0.69
    methyl 4-tert-butylbenzoate 4.9
    morpholine 5.0
    tert-butylamine 0.46
    n-dodecanol 0.49
    dimethoxymethane 6.28
    ethylene carbonate 3.32
    cyrene 9.7
    2-ethoxyethyl acetate 4.23
    2-ethylhexyl acetate 2.08
    1,2,4-trichlorobenzene 2.36
    4-methylpyridine 2.73
    dibutyl ether 0.88
    2,6-dimethyl-4-heptanol 0.84
    DEF 5.13
    dimethyl isosorbide 14.41
    tetrachloroethylene 3.44
    eugenol 5.27
    triacetin 4.67
    span 80 4.45
    1,4-butanediol 0.8
    1,1-dichloroethane 0.83
    2-methyl-1-pentanol 1.23
    methyl formate 3.08
    2-methyl-1-butanol 1.09
    n-decane 0.06
    butyronitrile 0.86
    3,7-dimethyl-1-octanol 0.93
    1-chlorooctane 0.4
    1-chlorotetradecane 0.2
    n-nonane 0.04
    undecane 0.05
    tert-butylcyclohexane 0.06
    cyclooctane 0.02
    cyclopentanol 2.33
    tetrahydropyran 1.68
    tert-amyl methyl ether 1.17
    2,5,8-trioxanonane 10.95
    1-hexene 0.15
    2-isopropoxyethanol 2.92
    2,2,2-trifluoroethanol 2.33
    methyl butyrate 2.74

    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