Flavokawain C

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  • Identifiers

    CAS number
    37308-75-1

    Molecular formula
    C17H16O5

    SMILES
    COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=C(C=C2)O)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 60.97%
    Spicy 48.16%
    Balsamic 46.78%
    Vanilla 42.24%
    Phenolic 40.87%
    Fruity 31.0%
    Woody 30.56%
    Floral 30.34%
    Powdery 30.04%
    Odorless 29.12%

     

    Flavor
    Bitter 85.2%
    Odorless 30.6%
    Bland 22.19%
    Parsley 20.17%
    Lovage 20.14%
    Nitrile 19.63%
    Cedarleaf 19.48%
    Ethyl benzoate 19.45%
    Broom 19.39%
    Sweet-like 19.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    9.16 (weak base)

    Molecular weight
    300.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    561°C

    Melting point expt.

    • 194 - 195 °C

    Flash point

    • 206.49 ˚C est.

  • Synonyms

    • Flavokawain C
    • 37308-75-1
    • Flavokavain C
    • 5LE8KTR6G2
    • RefChem:921645
    • 56798-34-6
    • FLAVOKAWAINC
    • Flavokawin C
    • 2',4-DIHYDROXY-4',6'-DIMETHOXYCHALCONE
    • (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
    • flavokawin
    • 4,2'-Dihydroxy-4',6'-dimethoxychalcone
    • 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
    • MFCD00016489
    • (2E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
    • Flavokavin C
    • 4-Hydroxyflavokawain B
    • SCHEMBL144230
    • CHEMBL251958
    • orb1301523
    • DTXSID60958437
    • CHEBI:157718
    • UXUFMIJZNYXWDX-VMPITWQZSA-N
    • HY-N6582
    • MBA30875
    • LMPK12120320
    • AKOS024306997
    • Flavokawain C; 4-Hydroxyflavokavain B
    • EBC-615374
    • FD66229
    • 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)-, (E)-
    • AC-34389
    • MS-24327
    • CS-0034278
    • ST50308956
    • 2',4-Dihydroxy-4',6'-dimethoxy-trans-chalcone
    • 4,2'-DIHYDROXY-4',6'-DIMETHYLCHALCONE
    • AQ-358/42003063
    • Q5458168
    • 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one
    • 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)-
    • (2E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one
    • (E)-1-(2-hydroxy-4,6-dimethoxy-phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
    • (E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one (flavokawain C)
    • 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)-, (2E)-
    • 56798-34-6

  • Applications

    Flavokawain C is primarily used in research and development as a chemical probe and a synthetic intermediate in medicinal chemistry, providing a scaffold for exploring structure–activity relationships and for the preparation of chalcone-derived bioactive compounds. It is commonly employed as an intermediate in organic synthesis and used as a reference material in analytical workflows for plant polyphenols. In pharmacology and natural products research, Flavokawain C is evaluated for biological activity and for potential lead development in drug discovery programs. It is also investigated in antioxidant and phytochemical studies and may be considered for cosmetic/personal care contexts as a potential antioxidant, subject to regulatory limits and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.73
    methanol 34.26
    isopropanol 18.13
    water 0.0
    ethyl acetate 49.98
    n-propanol 22.99
    acetone 280.65
    n-butanol 14.36
    acetonitrile 60.29
    DMF 296.44
    toluene 7.53
    isobutanol 13.58
    1,4-dioxane 98.92
    methyl acetate 80.23
    THF 1274.25
    2-butanone 122.72
    n-pentanol 12.1
    sec-butanol 14.42
    n-hexane 0.24
    ethylene glycol 17.45
    NMP 158.9
    cyclohexane 0.48
    DMSO 2226.39
    n-butyl acetate 20.46
    n-octanol 6.05
    chloroform 52.0
    n-propyl acetate 24.91
    acetic acid 46.83
    dichloromethane 53.64
    cyclohexanone 105.16
    propylene glycol 37.78
    isopropyl acetate 25.7
    DMAc 356.88
    2-ethoxyethanol 63.08
    isopentanol 11.89
    n-heptane 0.3
    ethyl formate 32.93
    1,2-dichloroethane 57.63
    n-hexanol 10.92
    2-methoxyethanol 186.25
    isobutyl acetate 14.52
    tetrachloromethane 3.45
    n-pentyl acetate 9.33
    transcutol 90.46
    n-heptanol 5.62
    ethylbenzene 4.34
    MIBK 30.62
    2-propoxyethanol 67.43
    tert-butanol 34.91
    MTBE 18.57
    2-butoxyethanol 24.82
    propionic acid 31.45
    o-xylene 4.59
    formic acid 21.67
    diethyl ether 16.24
    m-xylene 4.39
    p-xylene 5.99
    chlorobenzene 12.42
    dimethyl carbonate 50.65
    n-octane 0.18
    formamide 62.65
    cyclopentanone 360.55
    2-pentanone 66.99
    anisole 25.67
    cyclopentyl methyl ether 55.11
    gamma-butyrolactone 268.65
    1-methoxy-2-propanol 105.44
    pyridine 58.87
    3-pentanone 45.82
    furfural 107.32
    n-dodecane 0.36
    diethylene glycol 72.65
    diisopropyl ether 3.48
    tert-amyl alcohol 19.17
    acetylacetone 126.38
    n-hexadecane 0.43
    acetophenone 28.86
    methyl propionate 69.76
    isopentyl acetate 19.41
    trichloroethylene 101.5
    n-nonanol 6.38
    cyclohexanol 16.33
    benzyl alcohol 23.11
    2-ethylhexanol 7.47
    isooctanol 5.28
    dipropyl ether 11.0
    1,2-dichlorobenzene 12.38
    ethyl lactate 24.59
    propylene carbonate 57.87
    n-methylformamide 101.34
    2-pentanol 6.94
    n-pentane 0.14
    1-propoxy-2-propanol 40.62
    1-methoxy-2-propyl acetate 45.17
    2-(2-methoxypropoxy) propanol 35.6
    mesitylene 2.76
    ε-caprolactone 59.21
    p-cymene 3.75
    epichlorohydrin 325.11
    1,1,1-trichloroethane 32.95
    2-aminoethanol 30.38
    morpholine-4-carbaldehyde 114.25
    sulfolane 430.54
    2,2,4-trimethylpentane 0.29
    2-methyltetrahydrofuran 125.27
    n-hexyl acetate 14.66
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 39.93
    sec-butyl acetate 14.55
    tert-butyl acetate 32.94
    decalin 0.62
    glycerin 71.74
    diglyme 86.89
    acrylic acid 33.9
    isopropyl myristate 7.98
    n-butyric acid 30.1
    acetyl acetate 31.87
    di(2-ethylhexyl) phthalate 10.37
    ethyl propionate 26.14
    nitromethane 250.52
    1,2-diethoxyethane 22.74
    benzonitrile 22.63
    trioctyl phosphate 7.38
    1-bromopropane 14.93
    gamma-valerolactone 206.37
    n-decanol 5.21
    triethyl phosphate 16.1
    4-methyl-2-pentanol 5.73
    propionitrile 34.98
    vinylene carbonate 40.97
    1,1,2-trichlorotrifluoroethane 135.9
    DMS 29.16
    cumene 3.37
    2-octanol 3.4
    2-hexanone 33.28
    octyl acetate 10.09
    limonene 5.06
    1,2-dimethoxyethane 113.74
    ethyl orthosilicate 12.94
    tributyl phosphate 10.72
    diacetone alcohol 63.01
    N,N-dimethylaniline 14.72
    acrylonitrile 54.69
    aniline 21.21
    1,3-propanediol 44.52
    bromobenzene 10.32
    dibromomethane 27.69
    1,1,2,2-tetrachloroethane 81.0
    2-methyl-cyclohexyl acetate 17.84
    tetrabutyl urea 16.3
    diisobutyl methanol 5.23
    2-phenylethanol 20.46
    styrene 5.85
    dioctyl adipate 16.04
    dimethyl sulfate 118.44
    ethyl butyrate 19.34
    methyl lactate 53.87
    butyl lactate 14.67
    diethyl carbonate 16.07
    propanediol butyl ether 22.06
    triethyl orthoformate 16.6
    p-tert-butyltoluene 3.43
    methyl 4-tert-butylbenzoate 24.13
    morpholine 142.69
    tert-butylamine 8.51
    n-dodecanol 4.16
    dimethoxymethane 194.74
    ethylene carbonate 36.32
    cyrene 44.06
    2-ethoxyethyl acetate 21.2
    2-ethylhexyl acetate 13.22
    1,2,4-trichlorobenzene 19.01
    4-methylpyridine 46.82
    dibutyl ether 8.01
    2,6-dimethyl-4-heptanol 5.23
    DEF 59.46
    dimethyl isosorbide 66.6
    tetrachloroethylene 33.52
    eugenol 24.87
    triacetin 23.99
    span 80 21.47
    1,4-butanediol 13.14
    1,1-dichloroethane 34.91
    2-methyl-1-pentanol 10.6
    methyl formate 89.25
    2-methyl-1-butanol 10.77
    n-decane 0.5
    butyronitrile 24.35
    3,7-dimethyl-1-octanol 6.92
    1-chlorooctane 3.46
    1-chlorotetradecane 1.71
    n-nonane 0.38
    undecane 0.42
    tert-butylcyclohexane 0.54
    cyclooctane 0.18
    cyclopentanol 37.07
    tetrahydropyran 67.12
    tert-amyl methyl ether 14.35
    2,5,8-trioxanonane 66.13
    1-hexene 1.96
    2-isopropoxyethanol 33.34
    2,2,2-trifluoroethanol 20.89
    methyl butyrate 35.09

    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