Flavokawain A

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  • Identifiers

    CAS number
    37951-13-6

    Molecular formula
    C18H18O5

    SMILES
    COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 71.52%
    Spicy 52.48%
    Balsamic 50.5%
    Floral 49.22%
    Vanilla 46.25%
    Fruity 38.99%
    Powdery 38.25%
    Woody 33.03%
    Phenolic 30.63%
    Clove 30.19%

     

    Flavor
    Bitter 73.13%
    Odorless 25.61%
    Bland 20.31%
    Parsley 20.17%
    Lovage 19.89%
    Ethyl benzoate 19.62%
    Broom 19.52%
    Heather 19.44%
    Genet 19.23%
    Aniseed 18.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.82 (neutral)

    Molecular weight
    314.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    541°C

    Melting point expt.

    • 113 °C

    Flash point

    • 189.68 ˚C est.

  • Synonyms

    • Flavokawain A
    • 37951-13-6
    • flavokavin A
    • (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
    • 8OM2XZ2ZM3
    • DTXSID601317535
    • RefChem:36734
    • DTXCID201747344
    • 3420-72-2
    • 2'-Hydroxy-4,4',6'-trimethoxychalcone
    • 64680-84-8
    • (E)-Flavokawain A
    • FLAVOKAVAIN A(P)
    • (2E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
    • 4-Methoxyflavokawain B
    • MFCD00017174
    • MLS002608040
    • (2E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one
    • (E)-1-(2-hydroxy-4,6-dimethoxy-phenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
    • 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-, (2E)-
    • UNII-8OM2XZ2ZM3
    • CHEMBL243829
    • orb1301557
    • SCHEMBL2289181
    • (E)-Flavokawain A (Standard)
    • SCHEMBL29349587
    • HY-N5106R
    • CGIBCVBDFUTMPT-RMKNXTFCSA-N
    • CHEBI:157725
    • HY-N2420
    • MBA95113
    • NSC37445
    • BDBM50360495
    • MSK187203
    • NSC-37445
    • s5600
    • 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-
    • AKOS015915333
    • CCG-267628
    • EBC-473045
    • FH67763
    • AS-72376
    • DA-73377
    • SMR001490973
    • ST059924
    • CS-0022627
    • 2'-Hydroxy-4,4',6'-trimethoxychalcone, 98%
    • Q5458164
    • (trans)-2'-Hydroxy-4,4',6'-trimethoxychalcone; Flavokawain A
    • (2E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one; 4-Methoxyflavokawain B; Flavokavin A; Flavokawain A; (E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one;
    • 3420-72-2

  • Applications

    Flavokawain A (CAS 37951-13-6) is used as an intermediate for the synthesis of chalcone derivatives across pharmaceutical, agrochemical, and polymer-related applications. It also serves as an analytical reference material and a scaffold for developing more complex chalcone compounds. In cosmetics and personal care, Flavokawain A is studied as a polyphenolic framework with potential antioxidant activity and may be explored for formulation development. In fragrance and flavor research, it can be treated as a precursor for aroma-related chalcone compounds. Additionally, its chalcone structure offers opportunities as a building block for photoreactive materials and coatings or inks, where functionalization can be pursued for UV or light-responsive applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.49
    methanol 12.21
    isopropanol 9.89
    water 0.0
    ethyl acetate 61.21
    n-propanol 12.29
    acetone 159.52
    n-butanol 7.4
    acetonitrile 49.84
    DMF 191.52
    toluene 15.92
    isobutanol 8.05
    1,4-dioxane 125.82
    methyl acetate 88.44
    THF 710.49
    2-butanone 92.45
    n-pentanol 7.46
    sec-butanol 9.16
    n-hexane 0.65
    ethylene glycol 7.59
    NMP 166.07
    cyclohexane 1.66
    DMSO 1025.87
    n-butyl acetate 23.34
    n-octanol 4.28
    chloroform 175.67
    n-propyl acetate 26.15
    acetic acid 41.76
    dichloromethane 197.16
    cyclohexanone 98.26
    propylene glycol 14.06
    isopropyl acetate 27.88
    DMAc 300.47
    2-ethoxyethanol 42.72
    isopentanol 7.26
    n-heptane 0.72
    ethyl formate 30.19
    1,2-dichloroethane 136.71
    n-hexanol 7.68
    2-methoxyethanol 91.86
    isobutyl acetate 15.96
    tetrachloromethane 9.8
    n-pentyl acetate 10.11
    transcutol 75.88
    n-heptanol 4.0
    ethylbenzene 7.61
    MIBK 24.02
    2-propoxyethanol 48.42
    tert-butanol 19.65
    MTBE 18.84
    2-butoxyethanol 17.85
    propionic acid 27.59
    o-xylene 8.67
    formic acid 13.29
    diethyl ether 21.24
    m-xylene 7.34
    p-xylene 10.44
    chlorobenzene 29.41
    dimethyl carbonate 54.71
    n-octane 0.33
    formamide 39.13
    cyclopentanone 265.14
    2-pentanone 47.25
    anisole 31.28
    cyclopentyl methyl ether 58.81
    gamma-butyrolactone 251.75
    1-methoxy-2-propanol 54.99
    pyridine 88.47
    3-pentanone 48.19
    furfural 119.46
    n-dodecane 0.46
    diethylene glycol 46.23
    diisopropyl ether 5.03
    tert-amyl alcohol 12.49
    acetylacetone 117.26
    n-hexadecane 0.56
    acetophenone 34.35
    methyl propionate 72.11
    isopentyl acetate 21.28
    trichloroethylene 238.78
    n-nonanol 4.8
    cyclohexanol 13.41
    benzyl alcohol 22.85
    2-ethylhexanol 6.75
    isooctanol 4.04
    dipropyl ether 13.83
    1,2-dichlorobenzene 29.32
    ethyl lactate 20.5
    propylene carbonate 63.87
    n-methylformamide 58.02
    2-pentanol 4.88
    n-pentane 0.4
    1-propoxy-2-propanol 29.39
    1-methoxy-2-propyl acetate 47.65
    2-(2-methoxypropoxy) propanol 28.6
    mesitylene 4.71
    ε-caprolactone 63.85
    p-cymene 5.56
    epichlorohydrin 337.4
    1,1,1-trichloroethane 77.93
    2-aminoethanol 12.79
    morpholine-4-carbaldehyde 119.95
    sulfolane 329.34
    2,2,4-trimethylpentane 0.52
    2-methyltetrahydrofuran 119.99
    n-hexyl acetate 13.98
    isooctane 0.35
    2-(2-butoxyethoxy)ethanol 28.65
    sec-butyl acetate 16.42
    tert-butyl acetate 32.57
    decalin 1.37
    glycerin 29.94
    diglyme 75.23
    acrylic acid 31.84
    isopropyl myristate 7.88
    n-butyric acid 25.32
    acetyl acetate 48.16
    di(2-ethylhexyl) phthalate 9.86
    ethyl propionate 29.31
    nitromethane 214.75
    1,2-diethoxyethane 26.17
    benzonitrile 26.07
    trioctyl phosphate 6.24
    1-bromopropane 32.73
    gamma-valerolactone 185.0
    n-decanol 3.9
    triethyl phosphate 20.5
    4-methyl-2-pentanol 4.06
    propionitrile 30.45
    vinylene carbonate 51.06
    1,1,2-trichlorotrifluoroethane 155.79
    DMS 35.36
    cumene 5.23
    2-octanol 2.63
    2-hexanone 28.6
    octyl acetate 9.22
    limonene 7.64
    1,2-dimethoxyethane 88.95
    ethyl orthosilicate 16.77
    tributyl phosphate 9.95
    diacetone alcohol 41.43
    N,N-dimethylaniline 19.01
    acrylonitrile 50.46
    aniline 28.11
    1,3-propanediol 19.49
    bromobenzene 30.85
    dibromomethane 99.6
    1,1,2,2-tetrachloroethane 170.37
    2-methyl-cyclohexyl acetate 23.14
    tetrabutyl urea 14.94
    diisobutyl methanol 5.13
    2-phenylethanol 19.9
    styrene 10.66
    dioctyl adipate 16.47
    dimethyl sulfate 126.15
    ethyl butyrate 23.6
    methyl lactate 39.68
    butyl lactate 12.32
    diethyl carbonate 21.28
    propanediol butyl ether 13.89
    triethyl orthoformate 20.89
    p-tert-butyltoluene 5.13
    methyl 4-tert-butylbenzoate 24.06
    morpholine 141.5
    tert-butylamine 6.66
    n-dodecanol 3.17
    dimethoxymethane 138.4
    ethylene carbonate 43.37
    cyrene 41.99
    2-ethoxyethyl acetate 24.62
    2-ethylhexyl acetate 16.58
    1,2,4-trichlorobenzene 40.21
    4-methylpyridine 59.14
    dibutyl ether 8.09
    2,6-dimethyl-4-heptanol 5.13
    DEF 58.29
    dimethyl isosorbide 66.85
    tetrachloroethylene 80.03
    eugenol 22.96
    triacetin 26.79
    span 80 17.27
    1,4-butanediol 6.78
    1,1-dichloroethane 76.44
    2-methyl-1-pentanol 7.42
    methyl formate 58.2
    2-methyl-1-butanol 6.68
    n-decane 0.7
    butyronitrile 19.54
    3,7-dimethyl-1-octanol 5.41
    1-chlorooctane 3.97
    1-chlorotetradecane 2.03
    n-nonane 0.57
    undecane 0.55
    tert-butylcyclohexane 1.04
    cyclooctane 0.5
    cyclopentanol 27.86
    tetrahydropyran 81.99
    tert-amyl methyl ether 14.41
    2,5,8-trioxanonane 58.35
    1-hexene 3.37
    2-isopropoxyethanol 25.32
    2,2,2-trifluoroethanol 22.51
    methyl butyrate 34.74

    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