3,5,7-Trihydroxy-3',4',5'-Trimethoxyflavone

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  • Identifiers

    CAS number
    146132-95-8

    Molecular formula
    C18H16O8

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 54.76%
    Odorless 40.28%
    Burnt 36.45%
    Vanilla 35.64%
    Spicy 34.26%
    Smoky 32.87%
    Fruity 30.12%
    Woody 29.44%
    Balsamic 28.9%
    Sweet 25.47%

     

    Flavor
    Bitter 85.24%
    Bland 27.53%
    Odorless 23.82%
    Parsley 21.73%
    Eugenol 21.2%
    Sweet-like 20.88%
    Cedarleaf 20.23%
    Lovage 19.65%
    Ripe apricot 19.14%
    Ham 19.03%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    9.55 (weak base)

    Molecular weight
    360.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1190°C

    Flash point

    • 232.49 ˚C est.

  • Synonyms

    • 3,5,7-TRIHYDROXY-3',4',5'-TRIMETHOXYFLAVONE
    • 3,5,7-trihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
    • RefChem:1065864
    • 146132-95-8
    • 3,5,7-Trihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
    • Myricetin trimethyl ether
    • MFCD00017678
    • CHEMBL75258
    • 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trimethoxyphenyl)-
    • Myricetin-trimethylether
    • 3',4',5'-trimethylmyricetin
    • orb1683647
    • SCHEMBL4034698
    • SCHEMBL30255771
    • DTXSID00420502
    • LHNLHJJGLDWGFS-UHFFFAOYSA-N
    • 3,5,7-Trihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one
    • BDBM50420206
    • EBC-13191
    • myricetin 3',4',5'-trimethyl ether
    • AKOS015900138
    • FM65900
    • AS-35145
    • ST056257
    • DB-042825
    • CS-0149049
    • EN300-207044
    • 3,3,7-Trihydroxy-3',4',5'-trimethoxyflavone
    • Z1980554292
    • 146132-95-8

  • Applications

    3,5,7-Trihydroxy-3',4',5'-Trimethoxyflavone (CAS 146132-95-8) is a flavone derivative bearing multiple hydroxyl and methoxy groups, typically viewed as an intermediate for the synthesis of flavonoids and related analogs in chemical manufacturing. In practice, it is often considered a platform or starting point for pharmaceutical development and other synthetic chemistry workflows. In cosmetics and personal care, it may be used as a building block for creating actives or as a precursor for formulation components used in skin or hair care. In coatings/inks and plastics, it can serve as a precursor for specialty color systems or to feed polymer synthesis. Additionally, it is examined for general industrial R&D applications, depending on regulatory guidelines and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.21
    methanol 0.28
    isopropanol 0.22
    water 0.0
    ethyl acetate 0.59
    n-propanol 0.44
    acetone 0.33
    n-butanol 0.42
    acetonitrile 0.21
    DMF 6.77
    toluene 0.03
    isobutanol 0.33
    1,4-dioxane 0.7
    methyl acetate 0.66
    THF 3.29
    2-butanone 1.13
    n-pentanol 0.38
    sec-butanol 0.53
    n-hexane 0.01
    ethylene glycol 0.37
    NMP 12.28
    cyclohexane 0.01
    DMSO 22.77
    n-butyl acetate 0.89
    n-octanol 0.45
    chloroform 0.27
    n-propyl acetate 0.56
    acetic acid 1.01
    dichloromethane 0.46
    cyclohexanone 1.64
    propylene glycol 0.4
    isopropyl acetate 0.37
    DMAc 12.13
    2-ethoxyethanol 2.31
    isopentanol 0.42
    n-heptane 0.02
    ethyl formate 0.5
    1,2-dichloroethane 0.49
    n-hexanol 0.47
    2-methoxyethanol 4.57
    isobutyl acetate 0.25
    tetrachloromethane 0.04
    n-pentyl acetate 0.83
    transcutol 5.14
    n-heptanol 0.49
    ethylbenzene 0.04
    MIBK 0.49
    2-propoxyethanol 3.9
    tert-butanol 0.37
    MTBE 0.27
    2-butoxyethanol 2.34
    propionic acid 0.88
    o-xylene 0.05
    formic acid 0.85
    diethyl ether 0.25
    m-xylene 0.03
    p-xylene 0.05
    chlorobenzene 0.06
    dimethyl carbonate 0.92
    n-octane 0.01
    formamide 1.71
    cyclopentanone 3.17
    2-pentanone 0.66
    anisole 0.2
    cyclopentyl methyl ether 0.76
    gamma-butyrolactone 4.67
    1-methoxy-2-propanol 3.12
    pyridine 0.67
    3-pentanone 0.67
    furfural 3.44
    n-dodecane 0.01
    diethylene glycol 3.58
    diisopropyl ether 0.06
    tert-amyl alcohol 0.69
    acetylacetone 0.89
    n-hexadecane 0.01
    acetophenone 0.49
    methyl propionate 1.23
    isopentyl acetate 0.8
    trichloroethylene 0.9
    n-nonanol 0.52
    cyclohexanol 0.43
    benzyl alcohol 0.33
    2-ethylhexanol 0.42
    isooctanol 0.43
    dipropyl ether 0.48
    1,2-dichlorobenzene 0.12
    ethyl lactate 0.98
    propylene carbonate 1.28
    n-methylformamide 2.02
    2-pentanol 0.28
    n-pentane 0.01
    1-propoxy-2-propanol 2.47
    1-methoxy-2-propyl acetate 1.88
    2-(2-methoxypropoxy) propanol 2.85
    mesitylene 0.02
    ε-caprolactone 2.11
    p-cymene 0.12
    epichlorohydrin 4.39
    1,1,1-trichloroethane 0.14
    2-aminoethanol 0.62
    morpholine-4-carbaldehyde 7.19
    sulfolane 16.04
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.25
    n-hexyl acetate 1.04
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.03
    sec-butyl acetate 0.35
    tert-butyl acetate 0.58
    decalin 0.01
    glycerin 2.14
    diglyme 6.39
    acrylic acid 1.1
    isopropyl myristate 0.38
    n-butyric acid 0.94
    acetyl acetate 0.3
    di(2-ethylhexyl) phthalate 0.61
    ethyl propionate 0.73
    nitromethane 3.25
    1,2-diethoxyethane 0.96
    benzonitrile 0.26
    trioctyl phosphate 0.57
    1-bromopropane 0.22
    gamma-valerolactone 6.13
    n-decanol 0.36
    triethyl phosphate 0.9
    4-methyl-2-pentanol 0.2
    propionitrile 0.46
    vinylene carbonate 1.0
    1,1,2-trichlorotrifluoroethane 6.81
    DMS 1.07
    cumene 0.05
    2-octanol 0.34
    2-hexanone 0.72
    octyl acetate 0.6
    limonene 0.19
    1,2-dimethoxyethane 3.85
    ethyl orthosilicate 0.72
    tributyl phosphate 0.64
    diacetone alcohol 2.01
    N,N-dimethylaniline 0.3
    acrylonitrile 0.86
    aniline 0.18
    1,3-propanediol 1.14
    bromobenzene 0.04
    dibromomethane 0.2
    1,1,2,2-tetrachloroethane 0.92
    2-methyl-cyclohexyl acetate 0.76
    tetrabutyl urea 1.24
    diisobutyl methanol 0.25
    2-phenylethanol 0.59
    styrene 0.03
    dioctyl adipate 0.8
    dimethyl sulfate 3.83
    ethyl butyrate 0.83
    methyl lactate 2.04
    butyl lactate 1.3
    diethyl carbonate 0.59
    propanediol butyl ether 1.62
    triethyl orthoformate 0.93
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 1.5
    morpholine 1.89
    tert-butylamine 0.13
    n-dodecanol 0.24
    dimethoxymethane 2.49
    ethylene carbonate 0.73
    cyrene 3.43
    2-ethoxyethyl acetate 1.5
    2-ethylhexyl acetate 0.66
    1,2,4-trichlorobenzene 0.23
    4-methylpyridine 0.42
    dibutyl ether 0.38
    2,6-dimethyl-4-heptanol 0.25
    DEF 2.52
    dimethyl isosorbide 5.08
    tetrachloroethylene 0.51
    eugenol 1.7
    triacetin 1.43
    span 80 1.81
    1,4-butanediol 0.34
    1,1-dichloroethane 0.14
    2-methyl-1-pentanol 0.47
    methyl formate 1.13
    2-methyl-1-butanol 0.53
    n-decane 0.02
    butyronitrile 0.33
    3,7-dimethyl-1-octanol 0.39
    1-chlorooctane 0.16
    1-chlorotetradecane 0.06
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 0.65
    tetrahydropyran 0.5
    tert-amyl methyl ether 0.49
    2,5,8-trioxanonane 4.35
    1-hexene 0.05
    2-isopropoxyethanol 1.29
    2,2,2-trifluoroethanol 0.85
    methyl butyrate 1.05

    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