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

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  • Identifiers

    CAS number
    18103-42-9

    Molecular formula
    C18H16O7

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 53.35%
    Vanilla 38.66%
    Spicy 35.42%
    Sweet 35.08%
    Odorless 32.67%
    Burnt 32.19%
    Woody 31.79%
    Smoky 31.28%
    Fruity 31.04%
    Balsamic 30.15%

     

    Flavor
    Bitter 85.76%
    Bland 24.8%
    Parsley 21.76%
    Odorless 21.66%
    Eugenol 20.5%
    Cedarleaf 20.17%
    Sweet-like 20.07%
    Lovage 19.66%
    Ripe apricot 19.26%
    Carrot 18.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.91 (weak base)

    Molecular weight
    344.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    792°C

    Melting point expt.

    • 272 - 274 °C

    Flash point

    • 213.87 ˚C est.

  • Synonyms

    • 5,7-Dihydroxy-3',4',5'-trimethoxyflavone
    • 18103-42-9
    • 5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
    • 3',4',5'-O-trimethyltricetin
    • 5,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4-benzopyrone
    • Flavone, 5,7-dihydroxy-3',4',5'-trimethoxy-
    • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-
    • CHEBI:543745
    • DTXSID70171059
    • RefChem:1072258
    • DTXCID0093550
    • 242-001-0
    • tricetin 3',4',5'-trimethyl ether
    • Tricin 4'-Methyl Ether
    • MFCD00016924
    • MLS002707300
    • 2J9JJ5N2H7
    • 5,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
    • 5,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one
    • NSC123410
    • NSC-123410
    • 5, 7-Dihydroxy-3',4',5'-trimethoxyflavone
    • 5,7-Dihydroxy-3',4',5'-trimethoxy flavone
    • 5-7-dihydroxy-3-4-5-trimethoxyflavone
    • EINECS 242-001-0
    • NSC 123410
    • 5,7-Dihydroxy-3',4',5'-trimethoxyflavon
    • UNII-2J9JJ5N2H7
    • 5,4',5'-trimethoxyflavone
    • 5,4',5'-trimethoxy flavone
    • CHEMBL486590
    • orb1683461
    • SCHEMBL4918477
    • HY-N7150
    • LMPK12110880
    • AKOS025287600
    • FS-8799
    • FT65911
    • SMR001574694
    • 3',4',5'-TRI-O-METHYL-TRICETIN
    • CS-0103228
    • Flavone,7-dihydroxy-3',4',5'-trimethoxy-
    • NS00025961
    • ST50331589
    • 5,7-Dihydroxy-3',4',5'-trimethoxy-Flavone
    • 5,7-DIHYDROXY-3,4,5-TRIMETHOXYFLAVONE
    • C19807
    • H42496
    • Q27105170
    • Flavone, 5,7-dihydroxy-3',4',5'-trimethoxy- (8CI)
    • 4H-1-Benzopyran-4-one,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)-
    • 5,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one #
    • 5 pound not7-Dihydroxy-3' pound not4' pound not5'-trimethoxyflavone
    • 18103-42-9

  • Applications

    5,7-Dihydroxy-3',4',5'-Trimethoxyflavone (CAS 18103-42-9) is commonly used as an intermediate in the synthesis of flavonoid-based compounds, supporting pharmaceutical research and development as a scaffold for bioactive libraries. In cosmetics and personal care, it may be evaluated as a building block for cosmetic actives or as a stabilizer/antioxidant component in formulations. In coatings and inks, it can serve as a functional intermediate or additive to influence color stability and photochemical performance. It may also function as a research reagent or reference standard in analytical laboratories, and as a starting material for the development of specialty polymers and plastics. Depending on local regulations and formulation limits, its use should be validated for compatibility and safety in specific applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.14
    methanol 0.18
    isopropanol 0.16
    water 0.0
    ethyl acetate 0.65
    n-propanol 0.29
    acetone 0.79
    n-butanol 0.28
    acetonitrile 0.48
    DMF 8.85
    toluene 0.06
    isobutanol 0.31
    1,4-dioxane 1.28
    methyl acetate 0.97
    THF 6.63
    2-butanone 1.6
    n-pentanol 0.4
    sec-butanol 0.36
    n-hexane 0.01
    ethylene glycol 0.29
    NMP 15.81
    cyclohexane 0.01
    DMSO 42.16
    n-butyl acetate 1.2
    n-octanol 0.54
    chloroform 0.63
    n-propyl acetate 1.04
    acetic acid 1.26
    dichloromethane 1.05
    cyclohexanone 3.05
    propylene glycol 0.34
    isopropyl acetate 0.48
    DMAc 17.8
    2-ethoxyethanol 2.72
    isopentanol 0.44
    n-heptane 0.02
    ethyl formate 0.69
    1,2-dichloroethane 1.03
    n-hexanol 0.41
    2-methoxyethanol 4.08
    isobutyl acetate 0.76
    tetrachloromethane 0.06
    n-pentyl acetate 1.07
    transcutol 7.95
    n-heptanol 0.53
    ethylbenzene 0.08
    MIBK 0.79
    2-propoxyethanol 4.41
    tert-butanol 0.41
    MTBE 0.32
    2-butoxyethanol 2.71
    propionic acid 0.94
    o-xylene 0.09
    formic acid 0.77
    diethyl ether 0.22
    m-xylene 0.07
    p-xylene 0.14
    chlorobenzene 0.15
    dimethyl carbonate 1.21
    n-octane 0.01
    formamide 1.78
    cyclopentanone 6.17
    2-pentanone 0.85
    anisole 0.46
    cyclopentyl methyl ether 1.1
    gamma-butyrolactone 8.32
    1-methoxy-2-propanol 2.83
    pyridine 1.31
    3-pentanone 0.83
    furfural 6.79
    n-dodecane 0.02
    diethylene glycol 4.69
    diisopropyl ether 0.08
    tert-amyl alcohol 0.59
    acetylacetone 1.76
    n-hexadecane 0.02
    acetophenone 1.16
    methyl propionate 1.31
    isopentyl acetate 1.39
    trichloroethylene 2.08
    n-nonanol 0.63
    cyclohexanol 0.47
    benzyl alcohol 0.74
    2-ethylhexanol 0.53
    isooctanol 0.6
    dipropyl ether 0.57
    1,2-dichlorobenzene 0.34
    ethyl lactate 1.42
    propylene carbonate 2.34
    n-methylformamide 2.09
    2-pentanol 0.2
    n-pentane 0.01
    1-propoxy-2-propanol 2.82
    1-methoxy-2-propyl acetate 2.57
    2-(2-methoxypropoxy) propanol 4.46
    mesitylene 0.05
    ε-caprolactone 3.16
    p-cymene 0.22
    epichlorohydrin 8.93
    1,1,1-trichloroethane 0.32
    2-aminoethanol 0.47
    morpholine-4-carbaldehyde 11.08
    sulfolane 26.34
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.92
    n-hexyl acetate 1.46
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.4
    sec-butyl acetate 0.62
    tert-butyl acetate 0.9
    decalin 0.02
    glycerin 1.91
    diglyme 9.62
    acrylic acid 1.37
    isopropyl myristate 0.63
    n-butyric acid 0.92
    acetyl acetate 0.51
    di(2-ethylhexyl) phthalate 1.16
    ethyl propionate 1.04
    nitromethane 5.3
    1,2-diethoxyethane 1.52
    benzonitrile 0.74
    trioctyl phosphate 0.86
    1-bromopropane 0.31
    gamma-valerolactone 11.01
    n-decanol 0.46
    triethyl phosphate 1.41
    4-methyl-2-pentanol 0.22
    propionitrile 0.68
    vinylene carbonate 1.96
    1,1,2-trichlorotrifluoroethane 10.99
    DMS 1.71
    cumene 0.1
    2-octanol 0.36
    2-hexanone 1.36
    octyl acetate 0.89
    limonene 0.3
    1,2-dimethoxyethane 6.08
    ethyl orthosilicate 1.16
    tributyl phosphate 1.08
    diacetone alcohol 2.63
    N,N-dimethylaniline 0.57
    acrylonitrile 1.47
    aniline 0.32
    1,3-propanediol 0.83
    bromobenzene 0.12
    dibromomethane 0.45
    1,1,2,2-tetrachloroethane 1.86
    2-methyl-cyclohexyl acetate 1.52
    tetrabutyl urea 2.03
    diisobutyl methanol 0.36
    2-phenylethanol 0.99
    styrene 0.07
    dioctyl adipate 1.53
    dimethyl sulfate 5.68
    ethyl butyrate 1.19
    methyl lactate 2.09
    butyl lactate 1.64
    diethyl carbonate 0.95
    propanediol butyl ether 2.0
    triethyl orthoformate 1.34
    p-tert-butyltoluene 0.19
    methyl 4-tert-butylbenzoate 2.53
    morpholine 2.61
    tert-butylamine 0.13
    n-dodecanol 0.33
    dimethoxymethane 3.3
    ethylene carbonate 1.38
    cyrene 6.01
    2-ethoxyethyl acetate 2.21
    2-ethylhexyl acetate 1.1
    1,2,4-trichlorobenzene 0.61
    4-methylpyridine 0.89
    dibutyl ether 0.6
    2,6-dimethyl-4-heptanol 0.36
    DEF 2.51
    dimethyl isosorbide 8.69
    tetrachloroethylene 0.89
    eugenol 2.7
    triacetin 2.41
    span 80 2.58
    1,4-butanediol 0.39
    1,1-dichloroethane 0.28
    2-methyl-1-pentanol 0.61
    methyl formate 1.51
    2-methyl-1-butanol 0.46
    n-decane 0.03
    butyronitrile 0.47
    3,7-dimethyl-1-octanol 0.59
    1-chlorooctane 0.23
    1-chlorotetradecane 0.1
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.01
    cyclopentanol 0.75
    tetrahydropyran 0.72
    tert-amyl methyl ether 0.48
    2,5,8-trioxanonane 7.27
    1-hexene 0.07
    2-isopropoxyethanol 1.95
    2,2,2-trifluoroethanol 1.04
    methyl butyrate 1.61

    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