5-Hydroxy-3,7,4'-trimethoxyflavone

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  • Identifiers

    CAS number
    15486-34-7

    Molecular formula
    C18H16O6

    SMILES
    COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 57.62%
    Phenolic 53.86%
    Vanilla 46.54%
    Fruity 43.14%
    Spicy 40.97%
    Powdery 35.58%
    Smoky 32.49%
    Woody 32.26%
    Balsamic 32.01%
    Burnt 29.47%

     

    Flavor
    Bitter 86.29%
    Parsley 21.79%
    Eugenol 20.37%
    Bland 20.32%
    Lovage 19.95%
    Cedarleaf 19.89%
    Ethyl benzoate 19.48%
    Sweet-like 19.41%
    Ripe apricot 19.33%
    Aniseed 19.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.19 (weak base)

    Molecular weight
    328.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    686°C

    Flash point

    • 195.9 ˚C est.

  • Synonyms

    • 15486-34-7
    • Kaempferol trimethylether
    • 5-Hydroxy-3,7,4'-trimethoxyflavone
    • DTXSID30165752
    • RefChem:1072990
    • DTXCID1088243
    • 239-514-7
    • Kaempferol 3,7,4'-trimethyl ether
    • kaempferol-3,7,4'-trimethyl ether
    • 5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
    • Kaempferol-3,7,4'-trimethylether
    • 5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
    • Kaempferol 3,7,4'-Trimethylether
    • MFCD00017439
    • CHEMBL77686
    • 5-Hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
    • 5-Hydroxy-3,4',7-trimethoxyflavone
    • EINECS 239-514-7
    • 7-Trimethylkaempferol
    • 5-Hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-4-benzopyrone
    • MEGxp0_001028
    • orb1297317
    • SCHEMBL4649968
    • SCHEMBL30131217
    • 3,7,4'-tri-O-methylkaempferol
    • ACon1_000906
    • Kaempferol 3,4'-trimethyl ether
    • WSQWAMGRHJQANC-UHFFFAOYSA-N
    • HY-N3434
    • BDBM50464569
    • LMPK12112698
    • NSC675951
    • 5-Hydroxy-3,7,4 -trimethoxyflavone
    • 4H-1-Benzopyran-4-one, 5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-
    • AKOS025287552
    • EBC-476053
    • FK65525
    • NSC-675951
    • NCGC00169243-01
    • MS-24913
    • DB-043246
    • CS-0024223
    • NS00025031
    • ST50331660
    • G12069
    • Q63395673
    • 15486-34-7

  • Applications

    5-Hydroxy-3,7,4'-trimethoxyflavone is primarily utilized as a synthetic intermediate in pharmaceutical research for flavonoid-derived lead compounds, and is also used as a building block in the preparation of flavonoid derivatives for agrochemical research. In cosmetics and personal care, it has been explored as a fragrance-related intermediate and as a precursor for flavonoid-based cosmetic ingredients. In analytical chemistry, it serves as a reference or synthetic standard for flavonoid characterization. In materials science, it is investigated as a functional building block for polymers and coatings, where its polyphenolic framework can contribute to stabilization and formulation performance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.27
    methanol 0.24
    isopropanol 0.33
    water 0.0
    ethyl acetate 2.08
    n-propanol 0.49
    acetone 3.43
    n-butanol 0.42
    acetonitrile 1.82
    DMF 11.22
    toluene 0.58
    isobutanol 0.53
    1,4-dioxane 5.15
    methyl acetate 3.79
    THF 18.92
    2-butanone 4.63
    n-pentanol 0.54
    sec-butanol 0.53
    n-hexane 0.04
    ethylene glycol 0.34
    NMP 24.6
    cyclohexane 0.08
    DMSO 45.07
    n-butyl acetate 2.65
    n-octanol 0.5
    chloroform 7.21
    n-propyl acetate 2.56
    acetic acid 3.3
    dichloromethane 10.82
    cyclohexanone 9.06
    propylene glycol 0.4
    isopropyl acetate 1.62
    DMAc 27.9
    2-ethoxyethanol 3.27
    isopentanol 0.73
    n-heptane 0.06
    ethyl formate 1.64
    1,2-dichloroethane 8.16
    n-hexanol 0.64
    2-methoxyethanol 4.76
    isobutyl acetate 1.76
    tetrachloromethane 0.45
    n-pentyl acetate 1.78
    transcutol 13.78
    n-heptanol 0.59
    ethylbenzene 0.44
    MIBK 2.0
    2-propoxyethanol 4.79
    tert-butanol 0.97
    MTBE 1.0
    2-butoxyethanol 3.01
    propionic acid 1.97
    o-xylene 0.59
    formic acid 1.07
    diethyl ether 0.72
    m-xylene 0.39
    p-xylene 0.83
    chlorobenzene 1.59
    dimethyl carbonate 3.08
    n-octane 0.03
    formamide 2.7
    cyclopentanone 15.28
    2-pentanone 2.18
    anisole 1.83
    cyclopentyl methyl ether 3.08
    gamma-butyrolactone 19.14
    1-methoxy-2-propanol 3.16
    pyridine 6.46
    3-pentanone 2.66
    furfural 16.92
    n-dodecane 0.05
    diethylene glycol 4.94
    diisopropyl ether 0.28
    tert-amyl alcohol 1.03
    acetylacetone 5.59
    n-hexadecane 0.06
    acetophenone 3.82
    methyl propionate 3.04
    isopentyl acetate 3.32
    trichloroethylene 18.27
    n-nonanol 0.65
    cyclohexanol 0.99
    benzyl alcohol 1.88
    2-ethylhexanol 0.89
    isooctanol 0.73
    dipropyl ether 1.22
    1,2-dichlorobenzene 2.57
    ethyl lactate 2.15
    propylene carbonate 6.26
    n-methylformamide 2.81
    2-pentanol 0.32
    n-pentane 0.02
    1-propoxy-2-propanol 3.29
    1-methoxy-2-propyl acetate 5.05
    2-(2-methoxypropoxy) propanol 6.16
    mesitylene 0.28
    ε-caprolactone 7.65
    p-cymene 0.78
    epichlorohydrin 26.5
    1,1,1-trichloroethane 3.45
    2-aminoethanol 0.56
    morpholine-4-carbaldehyde 16.98
    sulfolane 41.63
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 5.87
    n-hexyl acetate 2.06
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 5.6
    sec-butyl acetate 1.8
    tert-butyl acetate 2.77
    decalin 0.1
    glycerin 1.96
    diglyme 14.73
    acrylic acid 3.02
    isopropyl myristate 1.2
    n-butyric acid 1.74
    acetyl acetate 2.34
    di(2-ethylhexyl) phthalate 2.06
    ethyl propionate 2.56
    nitromethane 13.7
    1,2-diethoxyethane 3.56
    benzonitrile 2.53
    trioctyl phosphate 1.18
    1-bromopropane 1.67
    gamma-valerolactone 21.72
    n-decanol 0.53
    triethyl phosphate 3.16
    4-methyl-2-pentanol 0.4
    propionitrile 1.72
    vinylene carbonate 5.5
    1,1,2-trichlorotrifluoroethane 22.86
    DMS 4.91
    cumene 0.47
    2-octanol 0.41
    2-hexanone 3.04
    octyl acetate 1.42
    limonene 1.02
    1,2-dimethoxyethane 9.38
    ethyl orthosilicate 2.67
    tributyl phosphate 1.86
    diacetone alcohol 4.74
    N,N-dimethylaniline 1.87
    acrylonitrile 3.5
    aniline 1.61
    1,3-propanediol 1.05
    bromobenzene 1.5
    dibromomethane 4.26
    1,1,2,2-tetrachloroethane 13.23
    2-methyl-cyclohexyl acetate 3.71
    tetrabutyl urea 3.04
    diisobutyl methanol 0.75
    2-phenylethanol 2.41
    styrene 0.49
    dioctyl adipate 2.81
    dimethyl sulfate 10.81
    ethyl butyrate 2.77
    methyl lactate 3.01
    butyl lactate 2.17
    diethyl carbonate 2.6
    propanediol butyl ether 1.88
    triethyl orthoformate 2.9
    p-tert-butyltoluene 0.65
    methyl 4-tert-butylbenzoate 4.66
    morpholine 6.76
    tert-butylamine 0.4
    n-dodecanol 0.44
    dimethoxymethane 5.62
    ethylene carbonate 4.06
    cyrene 8.13
    2-ethoxyethyl acetate 4.16
    2-ethylhexyl acetate 2.75
    1,2,4-trichlorobenzene 4.09
    4-methylpyridine 3.92
    dibutyl ether 1.1
    2,6-dimethyl-4-heptanol 0.75
    DEF 4.58
    dimethyl isosorbide 14.73
    tetrachloroethylene 7.06
    eugenol 4.65
    triacetin 4.54
    span 80 3.38
    1,4-butanediol 0.45
    1,1-dichloroethane 2.69
    2-methyl-1-pentanol 1.01
    methyl formate 2.94
    2-methyl-1-butanol 0.7
    n-decane 0.07
    butyronitrile 1.21
    3,7-dimethyl-1-octanol 0.8
    1-chlorooctane 0.46
    1-chlorotetradecane 0.25
    n-nonane 0.05
    undecane 0.05
    tert-butylcyclohexane 0.08
    cyclooctane 0.03
    cyclopentanol 1.72
    tetrahydropyran 2.86
    tert-amyl methyl ether 1.17
    2,5,8-trioxanonane 11.67
    1-hexene 0.2
    2-isopropoxyethanol 2.62
    2,2,2-trifluoroethanol 2.2
    methyl butyrate 3.55

    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