Kaempferide

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  • Identifiers

    CAS number
    491-54-3

    Molecular formula
    C16H12O6

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 58.8%
    Odorless 44.67%
    Burnt 36.13%
    Vanilla 29.56%
    Fruity 28.84%
    Smoky 27.84%
    Medicinal 27.11%
    Spicy 26.78%
    Sweet 25.98%
    Balsamic 24.24%

     

    Flavor
    Bitter 93.72%
    Odorless 21.5%
    Sweet-like 20.68%
    Parsley 20.37%
    Cedarleaf 20.34%
    Eugenol 20.16%
    Lovage 20.06%
    Very strong 20.01%
    Indole 19.83%
    Curry 19.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    9.71 (weak base)

    Molecular weight
    300.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    984°C

    Melting point expt.

    • 227 - 229 °C

    Flash point

    • 222.47 ˚C est.

  • Synonyms

    • Kaempferide
    • 491-54-3
    • 4'-Methylkaempferol
    • 4'-O-Methylkaempferol
    • Kaempferol 4'-methyl ether
    • 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
    • 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-
    • 508XL61MPD
    • 3 5 7-trihydroxy-4'-methoxyflavone
    • NSC-407294
    • CHEBI:6099
    • DTXSID9034155
    • RefChem:150774
    • DTXCID7014155
    • 207-738-4
    • Kaempferid
    • 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one
    • Campheride
    • Kaempferol 4'-O-methyl ether
    • KAMPFERIDE
    • 5,7-Dihydroxy-4'-methoxyflavonol
    • 3,5,7-Trihydroxy-4'-methoxyflavone
    • 4'-Methoxy-3,5,7-trihydroxyflavone
    • NSC 407294
    • 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4-benzopyrone
    • CHEMBL40919
    • FLAVANONE, 4'-METHOXY-3,5,7-TRIHYDROXY-
    • NSC407294
    • 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
    • Kaemperide
    • Kampheride
    • Kempferide
    • 4'-Methoxykaempferol
    • EINECS 207-738-4
    • BRN 0305378
    • UNII-508XL61MPD
    • Kaemferide
    • Flavone, 3,5,7-trihydroxy-4'-methoxy-
    • Kaempferide (AS)
    • MFCD00016771
    • dihydroxymethoxyflavone
    • 4'-Methoxy-3',5,7-trihydroxyflavone
    • Kaempferide (Standard)
    • Kaempferol 4''-methyl ether
    • 5-18-05-00253 (Beilstein Handbook Reference)
    • SCHEMBL426774
    • orb1303723
    • Kaempferide, analytical standard
    • SCHEMBL29371282
    • HMS3746E09
    • MSK40132
    • BDBM50084978
    • HY-15449R
    • LMPK12110563
    • s3879
    • Flavone,5,7-trihydroxy-4'-methoxy-
    • 5,7,3-trihydroxy-4'-methoxy flavone
    • AKOS015903441
    • 3,5,7-Trihydroxy-4'-methoxy-Flavone
    • CCG-267464
    • CS-0957
    • EBC-444076
    • FT66491
    • 4'-Methoxy-3,5,7-trihydroxy-Flavanone
    • NCGC00379085-03
    • AC-30805
    • BS-16895
    • DA-74704
    • HY-15449
    • ST085668
    • K0057
    • NS00031862
    • WLN: T66 BO EVJ CR DO1& DQ GQ IQ
    • Q3116775
    • 1.3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4-benzopyrone
    • 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one #
    • 4H-1-Benzopyran-4-one,5,7-trihydroxy-2-(4-methoxyphenyl)-
    • 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one, 9CI
    • 491-54-3

  • Applications

    Kaempferide (CAS 491-54-3) is a natural flavonoid primarily used as an analytical reference standard for identifying and quantifying flavonoids in plant extracts, supporting quality control in pharmaceuticals, nutraceuticals, and cosmetics; it is also explored as a synthetic intermediate for flavonoid derivatives in medicinal chemistry research; its antioxidant activity is evaluated, informing potential incorporation into cosmetic and personal care formulations as a natural active ingredient or stabilizer; in addition, kaempferide is commonly analyzed as a marker in plant extracts to support profiling and quality assessment of botanical materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.08
    methanol 1.08
    isopropanol 1.47
    water 0.0
    ethyl acetate 2.26
    n-propanol 2.19
    acetone 2.06
    n-butanol 2.16
    acetonitrile 0.65
    DMF 21.63
    toluene 0.13
    isobutanol 1.4
    1,4-dioxane 3.51
    methyl acetate 2.41
    THF 39.53
    2-butanone 6.72
    n-pentanol 1.27
    sec-butanol 2.94
    n-hexane 0.01
    ethylene glycol 1.2
    NMP 22.72
    cyclohexane 0.01
    DMSO 189.18
    n-butyl acetate 2.24
    n-octanol 0.71
    chloroform 0.09
    n-propyl acetate 1.87
    acetic acid 2.28
    dichloromethane 0.14
    cyclohexanone 6.68
    propylene glycol 2.17
    isopropyl acetate 1.84
    DMAc 38.05
    2-ethoxyethanol 9.48
    isopentanol 2.22
    n-heptane 0.02
    ethyl formate 1.09
    1,2-dichloroethane 0.42
    n-hexanol 1.05
    2-methoxyethanol 26.39
    isobutyl acetate 0.75
    tetrachloromethane 0.02
    n-pentyl acetate 1.42
    transcutol 29.66
    n-heptanol 0.86
    ethylbenzene 0.11
    MIBK 2.45
    2-propoxyethanol 12.41
    tert-butanol 2.56
    MTBE 1.49
    2-butoxyethanol 5.07
    propionic acid 2.07
    o-xylene 0.17
    formic acid 1.52
    diethyl ether 1.09
    m-xylene 0.13
    p-xylene 0.14
    chlorobenzene 0.11
    dimethyl carbonate 1.88
    n-octane 0.01
    formamide 4.22
    cyclopentanone 15.86
    2-pentanone 4.23
    anisole 0.98
    cyclopentyl methyl ether 3.94
    gamma-butyrolactone 13.31
    1-methoxy-2-propanol 21.15
    pyridine 2.41
    3-pentanone 2.63
    furfural 8.46
    n-dodecane 0.02
    diethylene glycol 12.07
    diisopropyl ether 0.24
    tert-amyl alcohol 3.53
    acetylacetone 5.09
    n-hexadecane 0.02
    acetophenone 1.69
    methyl propionate 3.76
    isopentyl acetate 2.18
    trichloroethylene 0.83
    n-nonanol 0.86
    cyclohexanol 1.86
    benzyl alcohol 1.3
    2-ethylhexanol 0.94
    isooctanol 0.83
    dipropyl ether 1.25
    1,2-dichlorobenzene 0.16
    ethyl lactate 2.6
    propylene carbonate 2.76
    n-methylformamide 5.34
    2-pentanol 1.56
    n-pentane 0.01
    1-propoxy-2-propanol 8.96
    1-methoxy-2-propyl acetate 6.28
    2-(2-methoxypropoxy) propanol 8.68
    mesitylene 0.08
    ε-caprolactone 6.36
    p-cymene 0.25
    epichlorohydrin 16.64
    1,1,1-trichloroethane 0.15
    2-aminoethanol 2.72
    morpholine-4-carbaldehyde 18.29
    sulfolane 48.31
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 7.98
    n-hexyl acetate 2.03
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 9.9
    sec-butyl acetate 1.38
    tert-butyl acetate 2.83
    decalin 0.02
    glycerin 8.95
    diglyme 20.21
    acrylic acid 2.11
    isopropyl myristate 0.95
    n-butyric acid 2.74
    acetyl acetate 0.88
    di(2-ethylhexyl) phthalate 1.22
    ethyl propionate 2.18
    nitromethane 7.54
    1,2-diethoxyethane 4.07
    benzonitrile 0.72
    trioctyl phosphate 0.94
    1-bromopropane 0.27
    gamma-valerolactone 24.21
    n-decanol 0.66
    triethyl phosphate 1.65
    4-methyl-2-pentanol 0.93
    propionitrile 1.33
    vinylene carbonate 1.69
    1,1,2-trichlorotrifluoroethane 13.49
    DMS 2.42
    cumene 0.11
    2-octanol 0.61
    2-hexanone 2.96
    octyl acetate 1.27
    limonene 0.4
    1,2-dimethoxyethane 16.2
    ethyl orthosilicate 1.42
    tributyl phosphate 1.24
    diacetone alcohol 10.53
    N,N-dimethylaniline 0.89
    acrylonitrile 2.24
    aniline 0.87
    1,3-propanediol 6.0
    bromobenzene 0.07
    dibromomethane 0.08
    1,1,2,2-tetrachloroethane 0.97
    2-methyl-cyclohexyl acetate 1.8
    tetrabutyl urea 2.3
    diisobutyl methanol 0.76
    2-phenylethanol 1.65
    styrene 0.09
    dioctyl adipate 1.98
    dimethyl sulfate 7.55
    ethyl butyrate 2.07
    methyl lactate 6.14
    butyl lactate 2.7
    diethyl carbonate 1.24
    propanediol butyl ether 4.52
    triethyl orthoformate 2.27
    p-tert-butyltoluene 0.24
    methyl 4-tert-butylbenzoate 3.16
    morpholine 10.94
    tert-butylamine 0.57
    n-dodecanol 0.48
    dimethoxymethane 12.38
    ethylene carbonate 1.29
    cyrene 7.55
    2-ethoxyethyl acetate 3.23
    2-ethylhexyl acetate 1.52
    1,2,4-trichlorobenzene 0.36
    4-methylpyridine 1.89
    dibutyl ether 1.13
    2,6-dimethyl-4-heptanol 0.76
    DEF 7.37
    dimethyl isosorbide 14.08
    tetrachloroethylene 0.39
    eugenol 3.78
    triacetin 3.2
    span 80 4.56
    1,4-butanediol 1.12
    1,1-dichloroethane 0.15
    2-methyl-1-pentanol 1.57
    methyl formate 2.43
    2-methyl-1-butanol 2.31
    n-decane 0.03
    butyronitrile 1.16
    3,7-dimethyl-1-octanol 0.89
    1-chlorooctane 0.22
    1-chlorotetradecane 0.1
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.01
    cyclopentanol 2.91
    tetrahydropyran 2.65
    tert-amyl methyl ether 2.12
    2,5,8-trioxanonane 14.44
    1-hexene 0.09
    2-isopropoxyethanol 5.08
    2,2,2-trifluoroethanol 0.86
    methyl butyrate 3.13

    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