Quercetin 3,4'-dimethyl ether

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  • Identifiers

    CAS number
    33429-83-3

    Molecular formula
    C17H14O7

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 59.92%
    Odorless 41.98%
    Burnt 37.5%
    Vanilla 37.17%
    Spicy 34.06%
    Smoky 33.63%
    Balsamic 28.35%
    Woody 26.81%
    Medicinal 26.09%
    Sweet 25.93%

     

    Flavor
    Bitter 86.82%
    Bland 24.19%
    Odorless 23.56%
    Eugenol 21.74%
    Parsley 21.72%
    Sweet-like 21.02%
    Cedarleaf 20.47%
    Lovage 20.0%
    Ham 19.68%
    Flat 19.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    9.89 (weak base)

    Molecular weight
    330.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    880°C

    Flash point

    • 226.44 ˚C est.

  • Synonyms

    • 33429-83-3
    • Quercetin 3,4'-dimethyl ether
    • 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one
    • 5,7,3'-Trihydroxy-3,4'-dimethoxyflavone
    • CHEBI:70008
    • RefChem:930450
    • 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4H-chromen-4-one
    • MFCD00016927
    • 3,4'-Dimethylquercetin
    • NSC-106970
    • 3,4'-dimethoxy-5,7,3'-trihydroxyflavone
    • NSC 106970
    • 5,7-Dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-chromen-4-one
    • 4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-
    • Quercetin 3,4 inverted exclamation marka-dimethyl ether
    • NSC106970
    • QUERCETIN-3,4'-DIMETHYL ETHER
    • quercetin dimethyl ether
    • 3,4'-dimethoxy quercetin
    • A1L8X
    • Quercetin3,4'-dimethylether
    • Flavone base + 3O, 2MeO
    • CHEMBL309263
    • orb1681810
    • SCHEMBL1250534
    • SCHEMBL30266565
    • SCHEMBL31230209
    • ACon1_001466
    • DTXSID10418970
    • ZSPZNFOLWQEVQJ-UHFFFAOYSA-N
    • HY-N1582
    • LMPK12112761
    • NSC788216
    • AKOS015999068
    • FQ42736
    • FS-9764
    • NSC-788216
    • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-
    • NCGC00180476-01
    • Flavone,5,7-trihydroxy-3,4'-dimethoxy-
    • DB-048400
    • 3,4'-Dimethoxy-3',5,7-trihydroxy flavone
    • CS-0017130
    • NS00116338
    • ST50331607
    • FLAVONE,5,7-TRIHYDROXY-3,4-DIMETHOXY
    • E87206
    • Q27138349
    • 5,7-Dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-1-benzopyran-4-one
    • 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4H-1-benzopyran-4-one
    • 33429-83-3

  • Applications

    Quercetin 3,4'-dimethyl ether (CAS 33429-83-3) is primarily used as a synthetic intermediate in flavonoid-based chemistry, supporting pharmaceutical and fine-chemical synthesis pathways; in cosmetics and personal care, it is evaluated as an antioxidant and formulation stabilizer; in polymer and coating applications, it is investigated as a UV-stabilizing and antioxidant additive to improve weathering resistance and product lifetime; in coatings and printing inks, it can serve as a dye/pigment precursor or colorant-building block; overall, its use is typically exploratory and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.24
    methanol 0.31
    isopropanol 0.29
    water 0.0
    ethyl acetate 0.6
    n-propanol 0.56
    acetone 0.36
    n-butanol 0.6
    acetonitrile 0.18
    DMF 8.94
    toluene 0.03
    isobutanol 0.43
    1,4-dioxane 1.0
    methyl acetate 0.71
    THF 7.09
    2-butanone 1.46
    n-pentanol 0.51
    sec-butanol 0.81
    n-hexane 0.01
    ethylene glycol 0.46
    NMP 17.75
    cyclohexane 0.01
    DMSO 51.13
    n-butyl acetate 0.92
    n-octanol 0.43
    chloroform 0.09
    n-propyl acetate 0.67
    acetic acid 1.14
    dichloromethane 0.18
    cyclohexanone 2.55
    propylene glycol 0.78
    isopropyl acetate 0.45
    DMAc 17.28
    2-ethoxyethanol 3.96
    isopentanol 0.69
    n-heptane 0.02
    ethyl formate 0.47
    1,2-dichloroethane 0.26
    n-hexanol 0.49
    2-methoxyethanol 9.02
    isobutyl acetate 0.32
    tetrachloromethane 0.01
    n-pentyl acetate 0.74
    transcutol 13.3
    n-heptanol 0.51
    ethylbenzene 0.04
    MIBK 0.65
    2-propoxyethanol 5.77
    tert-butanol 0.58
    MTBE 0.33
    2-butoxyethanol 3.02
    propionic acid 1.03
    o-xylene 0.06
    formic acid 0.93
    diethyl ether 0.26
    m-xylene 0.04
    p-xylene 0.06
    chlorobenzene 0.05
    dimethyl carbonate 0.96
    n-octane 0.01
    formamide 2.05
    cyclopentanone 4.67
    2-pentanone 0.83
    anisole 0.31
    cyclopentyl methyl ether 1.15
    gamma-butyrolactone 6.21
    1-methoxy-2-propanol 6.97
    pyridine 0.93
    3-pentanone 0.73
    furfural 4.97
    n-dodecane 0.01
    diethylene glycol 5.88
    diisopropyl ether 0.07
    tert-amyl alcohol 1.12
    acetylacetone 1.22
    n-hexadecane 0.01
    acetophenone 0.71
    methyl propionate 1.36
    isopentyl acetate 0.93
    trichloroethylene 0.52
    n-nonanol 0.53
    cyclohexanol 0.71
    benzyl alcohol 0.56
    2-ethylhexanol 0.51
    isooctanol 0.52
    dipropyl ether 0.54
    1,2-dichlorobenzene 0.1
    ethyl lactate 1.41
    propylene carbonate 1.52
    n-methylformamide 2.2
    2-pentanol 0.44
    n-pentane 0.01
    1-propoxy-2-propanol 3.93
    1-methoxy-2-propyl acetate 2.61
    2-(2-methoxypropoxy) propanol 4.63
    mesitylene 0.03
    ε-caprolactone 2.96
    p-cymene 0.12
    epichlorohydrin 5.93
    1,1,1-trichloroethane 0.07
    2-aminoethanol 1.01
    morpholine-4-carbaldehyde 11.57
    sulfolane 24.57
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.01
    n-hexyl acetate 1.08
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.35
    sec-butyl acetate 0.46
    tert-butyl acetate 0.84
    decalin 0.01
    glycerin 4.22
    diglyme 10.95
    acrylic acid 1.25
    isopropyl myristate 0.43
    n-butyric acid 1.13
    acetyl acetate 0.3
    di(2-ethylhexyl) phthalate 0.79
    ethyl propionate 0.85
    nitromethane 3.52
    1,2-diethoxyethane 1.49
    benzonitrile 0.32
    trioctyl phosphate 0.62
    1-bromopropane 0.13
    gamma-valerolactone 10.6
    n-decanol 0.38
    triethyl phosphate 1.0
    4-methyl-2-pentanol 0.31
    propionitrile 0.45
    vinylene carbonate 1.07
    1,1,2-trichlorotrifluoroethane 9.22
    DMS 1.22
    cumene 0.05
    2-octanol 0.34
    2-hexanone 0.92
    octyl acetate 0.65
    limonene 0.2
    1,2-dimethoxyethane 6.58
    ethyl orthosilicate 0.86
    tributyl phosphate 0.72
    diacetone alcohol 3.65
    N,N-dimethylaniline 0.41
    acrylonitrile 0.87
    aniline 0.28
    1,3-propanediol 1.87
    bromobenzene 0.03
    dibromomethane 0.08
    1,1,2,2-tetrachloroethane 0.63
    2-methyl-cyclohexyl acetate 0.99
    tetrabutyl urea 1.44
    diisobutyl methanol 0.32
    2-phenylethanol 0.75
    styrene 0.04
    dioctyl adipate 1.06
    dimethyl sulfate 4.27
    ethyl butyrate 0.98
    methyl lactate 2.99
    butyl lactate 1.62
    diethyl carbonate 0.66
    propanediol butyl ether 2.67
    triethyl orthoformate 1.15
    p-tert-butyltoluene 0.12
    methyl 4-tert-butylbenzoate 1.86
    morpholine 3.24
    tert-butylamine 0.16
    n-dodecanol 0.26
    dimethoxymethane 3.84
    ethylene carbonate 0.77
    cyrene 5.47
    2-ethoxyethyl acetate 1.71
    2-ethylhexyl acetate 0.71
    1,2,4-trichlorobenzene 0.2
    4-methylpyridine 0.58
    dibutyl ether 0.46
    2,6-dimethyl-4-heptanol 0.32
    DEF 2.98
    dimethyl isosorbide 7.89
    tetrachloroethylene 0.28
    eugenol 2.33
    triacetin 1.82
    span 80 2.81
    1,4-butanediol 0.48
    1,1-dichloroethane 0.07
    2-methyl-1-pentanol 0.7
    methyl formate 1.15
    2-methyl-1-butanol 0.83
    n-decane 0.02
    butyronitrile 0.34
    3,7-dimethyl-1-octanol 0.47
    1-chlorooctane 0.12
    1-chlorotetradecane 0.05
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 1.06
    tetrahydropyran 0.68
    tert-amyl methyl ether 0.65
    2,5,8-trioxanonane 7.56
    1-hexene 0.05
    2-isopropoxyethanol 2.24
    2,2,2-trifluoroethanol 0.64
    methyl butyrate 1.27

    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