Kampferol-3,4'-dimethyl ether

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  • Identifiers

    CAS number
    4712-12-3

    Molecular formula
    C17H14O6

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 57.33%
    Sweet 42.3%
    Vanilla 40.94%
    Burnt 32.66%
    Spicy 32.16%
    Odorless 31.69%
    Smoky 30.65%
    Balsamic 30.32%
    Powdery 28.91%
    Woody 28.06%

     

    Flavor
    Bitter 90.14%
    Parsley 21.26%
    Bland 20.72%
    Eugenol 20.27%
    Cedarleaf 20.13%
    Odorless 19.98%
    Sweet-like 19.97%
    Lovage 19.74%
    Ripe apricot 19.32%
    Indole 19.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    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.
    697°C

    Flash point

    • 209.4 ˚C est.

  • Synonyms

    • 4712-12-3
    • 5,7-Dihydroxy-3',4'-dimethoxyflavone
    • Luteolin 3',4'-dimethyl ether
    • Kampferol-3,4'-dimethyl ether
    • NSC-128305
    • 3FHI2X224O
    • Flavone, 5,7-dihydroxy-3',4'-dimethoxy-
    • DTXSID80197043
    • 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-
    • RefChem:1087969
    • DTXCID90119534
    • 4'-METHYLCHRYSOERIOL
    • 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
    • NSC128305
    • 2-(3,4-dimethoxyphenyl)-5,7-dihydroxychromen-4-one
    • CHEMBL76426
    • 2-(3,4-DIMETHOXYPHENYL)-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE
    • 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-chromen-4-one
    • 4'-Methylchrysoeriol?
    • 3',4'-Dimethoxyluteolin
    • NCIMech_000178
    • UNII-3FHI2X224O
    • 3'-O-METHYLDIOSMETIN
    • orb1710548
    • SCHEMBL2483636
    • SCHEMBL29883103
    • SCHEMBL30365934
    • Kampferol-3, 4'-dimethyl ether
    • EAA71212
    • BDBM50252426
    • CCG-35363
    • LMPK12110831
    • MFCD00017422
    • AKOS040732326
    • NSC 128305
    • Flavone,7-dihydroxy-3',4'-dimethoxy-
    • 5,7-Dihydroxy-3', 4'-dimethoxyflavone
    • 5,7-dihydroxy-3',4'-dimethoxy flavone
    • 5,7-dihydroxy-4',5'-dimethoxy flavone
    • DA-49732
    • MS-24607
    • NCI60_000644
    • PD011901
    • HY-112734
    • CS-0063122
    • G12067
    • 4H-1-Benzopyran-4-one,4-dimethoxyphenyl)-5,7-dihydroxy-
    • 4H-1-Benzopyran-4-one, 2-(3, 4-dimethoxyphenyl)-5,7-dihydroxy-
    • 4712-12-3

  • Applications

    Kampferol-3,4'-dimethyl ether (CAS 4712-12-3) is a methylated flavonoid derivative that serves as a synthetic intermediate in organic synthesis, providing a building block for the elaboration of flavonoid-based compounds. In practical contexts, it may be used as an intermediate in pharmaceutical research and development, and is sometimes explored as a cosmetic ingredient with antioxidant potential in personal care formulations. It is also investigated as an antioxidant or stabilizer additive in polymer and coating formulations to help improve formulation stability. In coatings and inks, it can function as a colorant precursor or contribute to pigment development for specialty finishes. Additionally, it is used as a research reagent in flavonoid chemistry to study structure–activity relationships. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.2
    methanol 0.25
    isopropanol 0.32
    water 0.0
    ethyl acetate 0.94
    n-propanol 0.47
    acetone 0.94
    n-butanol 0.5
    acetonitrile 0.64
    DMF 17.21
    toluene 0.06
    isobutanol 0.53
    1,4-dioxane 1.8
    methyl acetate 1.4
    THF 13.56
    2-butanone 2.3
    n-pentanol 0.51
    sec-butanol 0.67
    n-hexane 0.01
    ethylene glycol 0.72
    NMP 24.12
    cyclohexane 0.01
    DMSO 126.38
    n-butyl acetate 1.48
    n-octanol 0.46
    chloroform 0.44
    n-propyl acetate 1.3
    acetic acid 2.16
    dichloromethane 0.69
    cyclohexanone 3.85
    propylene glycol 1.09
    isopropyl acetate 0.81
    DMAc 32.49
    2-ethoxyethanol 4.87
    isopentanol 0.74
    n-heptane 0.02
    ethyl formate 0.74
    1,2-dichloroethane 0.78
    n-hexanol 0.39
    2-methoxyethanol 9.63
    isobutyl acetate 0.96
    tetrachloromethane 0.04
    n-pentyl acetate 1.12
    transcutol 25.96
    n-heptanol 0.54
    ethylbenzene 0.08
    MIBK 1.23
    2-propoxyethanol 7.45
    tert-butanol 0.87
    MTBE 0.6
    2-butoxyethanol 3.53
    propionic acid 1.78
    o-xylene 0.11
    formic acid 1.24
    diethyl ether 0.31
    m-xylene 0.08
    p-xylene 0.13
    chlorobenzene 0.15
    dimethyl carbonate 2.16
    n-octane 0.01
    formamide 3.2
    cyclopentanone 8.91
    2-pentanone 1.23
    anisole 0.73
    cyclopentyl methyl ether 1.76
    gamma-butyrolactone 12.01
    1-methoxy-2-propanol 7.66
    pyridine 1.42
    3-pentanone 1.21
    furfural 9.9
    n-dodecane 0.02
    diethylene glycol 8.71
    diisopropyl ether 0.14
    tert-amyl alcohol 1.06
    acetylacetone 3.05
    n-hexadecane 0.02
    acetophenone 1.55
    methyl propionate 2.06
    isopentyl acetate 1.78
    trichloroethylene 1.9
    n-nonanol 0.58
    cyclohexanol 0.72
    benzyl alcohol 0.98
    2-ethylhexanol 0.55
    isooctanol 0.65
    dipropyl ether 0.88
    1,2-dichlorobenzene 0.31
    ethyl lactate 2.45
    propylene carbonate 3.08
    n-methylformamide 3.48
    2-pentanol 0.4
    n-pentane 0.01
    1-propoxy-2-propanol 5.57
    1-methoxy-2-propyl acetate 4.78
    2-(2-methoxypropoxy) propanol 7.46
    mesitylene 0.07
    ε-caprolactone 4.13
    p-cymene 0.22
    epichlorohydrin 13.98
    1,1,1-trichloroethane 0.3
    2-aminoethanol 1.16
    morpholine-4-carbaldehyde 18.93
    sulfolane 43.62
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 3.07
    n-hexyl acetate 1.55
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 7.31
    sec-butyl acetate 0.92
    tert-butyl acetate 1.64
    decalin 0.02
    glycerin 6.01
    diglyme 17.9
    acrylic acid 2.33
    isopropyl myristate 0.79
    n-butyric acid 1.57
    acetyl acetate 0.84
    di(2-ethylhexyl) phthalate 1.35
    ethyl propionate 1.52
    nitromethane 8.56
    1,2-diethoxyethane 3.05
    benzonitrile 0.77
    trioctyl phosphate 0.91
    1-bromopropane 0.28
    gamma-valerolactone 17.63
    n-decanol 0.45
    triethyl phosphate 2.06
    4-methyl-2-pentanol 0.39
    propionitrile 0.85
    vinylene carbonate 2.61
    1,1,2-trichlorotrifluoroethane 15.63
    DMS 2.65
    cumene 0.1
    2-octanol 0.37
    2-hexanone 1.69
    octyl acetate 0.98
    limonene 0.33
    1,2-dimethoxyethane 10.06
    ethyl orthosilicate 1.7
    tributyl phosphate 1.29
    diacetone alcohol 5.08
    N,N-dimethylaniline 0.82
    acrylonitrile 1.83
    aniline 0.46
    1,3-propanediol 1.99
    bromobenzene 0.11
    dibromomethane 0.28
    1,1,2,2-tetrachloroethane 2.01
    2-methyl-cyclohexyl acetate 1.96
    tetrabutyl urea 2.22
    diisobutyl methanol 0.54
    2-phenylethanol 1.06
    styrene 0.07
    dioctyl adipate 2.07
    dimethyl sulfate 10.44
    ethyl butyrate 1.71
    methyl lactate 4.52
    butyl lactate 2.35
    diethyl carbonate 1.44
    propanediol butyl ether 3.18
    triethyl orthoformate 2.2
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 3.51
    morpholine 4.47
    tert-butylamine 0.26
    n-dodecanol 0.34
    dimethoxymethane 6.48
    ethylene carbonate 1.76
    cyrene 9.01
    2-ethoxyethyl acetate 2.99
    2-ethylhexyl acetate 1.33
    1,2,4-trichlorobenzene 0.61
    4-methylpyridine 1.08
    dibutyl ether 0.81
    2,6-dimethyl-4-heptanol 0.54
    DEF 3.85
    dimethyl isosorbide 15.7
    tetrachloroethylene 0.69
    eugenol 3.77
    triacetin 3.84
    span 80 3.95
    1,4-butanediol 0.7
    1,1-dichloroethane 0.27
    2-methyl-1-pentanol 0.82
    methyl formate 2.2
    2-methyl-1-butanol 0.77
    n-decane 0.03
    butyronitrile 0.6
    3,7-dimethyl-1-octanol 0.65
    1-chlorooctane 0.19
    1-chlorotetradecane 0.09
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.0
    cyclopentanol 1.28
    tetrahydropyran 0.93
    tert-amyl methyl ether 0.86
    2,5,8-trioxanonane 13.41
    1-hexene 0.06
    2-isopropoxyethanol 3.38
    2,2,2-trifluoroethanol 1.49
    methyl butyrate 2.06

    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