Flavokawain B

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1775-97-9

    Molecular formula
    C17H16O4

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 68.0%
    Balsamic 58.56%
    Spicy 53.77%
    Floral 46.96%
    Fruity 41.77%
    Vanilla 38.41%
    Powdery 35.58%
    Warm 30.37%
    Woody 29.2%
    Cinnamon 28.62%

     

    Flavor
    Bitter 73.03%
    Odorless 25.08%
    Lovage 20.07%
    Broom 19.81%
    Heather 19.75%
    Ethyl benzoate 19.58%
    Genet 19.53%
    Parsley 19.52%
    Nitrile 19.21%
    Cedarleaf 18.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.89 (neutral)

    Molecular weight
    284.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    494°C

    Melting point expt.

    • 91 °C

    Flash point

    • 180.81 ˚C est.

  • Synonyms

    • Flavokawain b
    • 1775-97-9
    • Flavokavain B
    • (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
    • Flavokavin B
    • 4',6'-Dimethoxy-2'-hydroxychalcone
    • R9WC6SM4UQ
    • CHEBI:65899
    • NSC-51351
    • DTXSID601028794
    • RefChem:37097
    • DTXCID201514406
    • Flavokawin B
    • 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenyl-, (2E)-
    • 2'-Hydroxy-4',6'-dimethoxychalcone
    • MFCD00075877
    • (2E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
    • MLS000737282
    • 76554-24-0
    • CHALCONE,2-HYDROXY-4,6-DIMETHYL
    • (E)-2'-Hydroxy-4',6'-dimethoxychalcone
    • 2-Propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenyl-, (E)-
    • CARDAMONIN-4'-METHYL ETHER
    • PERSICOCHALCONE
    • Spectrum5_000188
    • UNII-R9WC6SM4UQ
    • Flavokawain B (Standard)
    • CHALCONE,6-DIMETHYL
    • BSPBio_001873
    • SPECTRUM201610
    • 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenyl-2-propen-1-one
    • CHEMBL104255
    • MEGxp0_001270
    • orb1300239
    • SCHEMBL1675987
    • SCHEMBL29439356
    • CHEBI:92523
    • HY-N2132R
    • QKQLSQLKXBHUSO-CMDGGOBGSA-N
    • 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
    • HMS2267O16
    • HY-N2132
    • NSC51351
    • BDBM50491168
    • CCG-38384
    • LMPK12120246
    • s9412
    • AKOS027383422
    • EBC-615396
    • FD66669
    • NCGC00095512-01
    • NCGC00095512-02
    • AC-34272
    • Chalcone, 2'-hydroxy-4',6'-dimethoxy-
    • SMR000528248
    • CS-0018683
    • ST50331409
    • SR-01000777225
    • Q5458167
    • SR-01000777225-3
    • BRD-K30296925-001-02-1
    • (E)-1-(2-hydroxy-4,6-dimethoxy-phenyl)-3-phenyl-prop-2-en-1-one
    • (2E)-1-(2-HYDROXY-4,6-DIMETHOXYPHENYL)-3-PHENYL-2-PROPEN-1-ONE
    • 1175-97-9
    • 2'-Hydroxy-4',6'-dimethoxychalcone; (2E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-phenyl-2-propen-1-one
    • 1775-97-9

  • Applications

    Flavokawain B (CAS 1775-97-9) is primarily encountered in research contexts as a natural product chemical used as an intermediate and building block for chalcone derivatives and related flavonoids; in analytical chemistry it is used as a reference standard and sample material to develop and validate chromatographic and LC-MS methods; in pharmacological and medicinal chemistry research it is evaluated for potential bioactivity and serves as a starting point for drug-development workflows; it also functions as an intermediate in synthetic organic chemistry and a building block for related scaffolds in academic and industrial settings; use is typically constrained to research, development, and analytical applications, and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.19
    methanol 41.5
    isopropanol 27.18
    water 0.01
    ethyl acetate 114.06
    n-propanol 35.91
    acetone 388.37
    n-butanol 24.25
    acetonitrile 123.07
    DMF 524.01
    toluene 40.6
    isobutanol 21.82
    1,4-dioxane 206.06
    methyl acetate 159.91
    THF 1135.77
    2-butanone 195.55
    n-pentanol 18.43
    sec-butanol 22.55
    n-hexane 1.12
    ethylene glycol 25.79
    NMP 350.44
    cyclohexane 3.25
    DMSO 1762.85
    n-butyl acetate 45.53
    n-octanol 8.18
    chloroform 323.09
    n-propyl acetate 47.92
    acetic acid 81.45
    dichloromethane 362.21
    cyclohexanone 197.52
    propylene glycol 42.74
    isopropyl acetate 52.07
    DMAc 498.43
    2-ethoxyethanol 76.94
    isopentanol 20.26
    n-heptane 1.18
    ethyl formate 65.29
    1,2-dichloroethane 297.74
    n-hexanol 18.42
    2-methoxyethanol 222.93
    isobutyl acetate 29.77
    tetrachloromethane 16.7
    n-pentyl acetate 19.21
    transcutol 150.32
    n-heptanol 8.54
    ethylbenzene 15.66
    MIBK 55.42
    2-propoxyethanol 86.03
    tert-butanol 42.37
    MTBE 34.92
    2-butoxyethanol 33.27
    propionic acid 60.87
    o-xylene 16.91
    formic acid 28.64
    diethyl ether 43.94
    m-xylene 18.47
    p-xylene 18.91
    chlorobenzene 70.71
    dimethyl carbonate 104.0
    n-octane 0.54
    formamide 86.17
    cyclopentanone 557.38
    2-pentanone 119.8
    anisole 59.56
    cyclopentyl methyl ether 124.75
    gamma-butyrolactone 477.47
    1-methoxy-2-propanol 127.22
    pyridine 181.99
    3-pentanone 93.56
    furfural 244.26
    n-dodecane 0.79
    diethylene glycol 86.68
    diisopropyl ether 9.15
    tert-amyl alcohol 25.9
    acetylacetone 232.18
    n-hexadecane 0.97
    acetophenone 60.49
    methyl propionate 144.47
    isopentyl acetate 41.2
    trichloroethylene 523.12
    n-nonanol 8.65
    cyclohexanol 35.34
    benzyl alcohol 47.05
    2-ethylhexanol 13.87
    isooctanol 8.19
    dipropyl ether 22.37
    1,2-dichlorobenzene 60.67
    ethyl lactate 39.46
    propylene carbonate 132.17
    n-methylformamide 163.57
    2-pentanol 13.1
    n-pentane 0.77
    1-propoxy-2-propanol 53.12
    1-methoxy-2-propyl acetate 82.54
    2-(2-methoxypropoxy) propanol 49.09
    mesitylene 9.9
    ε-caprolactone 117.88
    p-cymene 10.14
    epichlorohydrin 634.36
    1,1,1-trichloroethane 152.95
    2-aminoethanol 38.71
    morpholine-4-carbaldehyde 226.73
    sulfolane 674.97
    2,2,4-trimethylpentane 1.02
    2-methyltetrahydrofuran 223.85
    n-hexyl acetate 27.94
    isooctane 0.81
    2-(2-butoxyethoxy)ethanol 53.95
    sec-butyl acetate 29.97
    tert-butyl acetate 61.7
    decalin 2.41
    glycerin 78.62
    diglyme 137.48
    acrylic acid 68.89
    isopropyl myristate 14.3
    n-butyric acid 59.75
    acetyl acetate 79.65
    di(2-ethylhexyl) phthalate 18.32
    ethyl propionate 51.38
    nitromethane 390.12
    1,2-diethoxyethane 43.32
    benzonitrile 57.37
    trioctyl phosphate 12.4
    1-bromopropane 69.73
    gamma-valerolactone 374.69
    n-decanol 7.05
    triethyl phosphate 30.62
    4-methyl-2-pentanol 10.23
    propionitrile 65.52
    vinylene carbonate 102.55
    1,1,2-trichlorotrifluoroethane 271.71
    DMS 63.0
    cumene 10.13
    2-octanol 5.27
    2-hexanone 54.67
    octyl acetate 17.46
    limonene 14.45
    1,2-dimethoxyethane 150.87
    ethyl orthosilicate 24.26
    tributyl phosphate 18.55
    diacetone alcohol 94.06
    N,N-dimethylaniline 32.91
    acrylonitrile 111.59
    aniline 65.28
    1,3-propanediol 57.8
    bromobenzene 73.71
    dibromomethane 193.09
    1,1,2,2-tetrachloroethane 359.4
    2-methyl-cyclohexyl acetate 35.7
    tetrabutyl urea 27.16
    diisobutyl methanol 10.0
    2-phenylethanol 40.68
    styrene 23.06
    dioctyl adipate 29.34
    dimethyl sulfate 239.3
    ethyl butyrate 39.51
    methyl lactate 88.26
    butyl lactate 23.75
    diethyl carbonate 34.21
    propanediol butyl ether 29.14
    triethyl orthoformate 31.56
    p-tert-butyltoluene 9.3
    methyl 4-tert-butylbenzoate 43.11
    morpholine 264.19
    tert-butylamine 15.06
    n-dodecanol 5.76
    dimethoxymethane 278.52
    ethylene carbonate 83.83
    cyrene 67.47
    2-ethoxyethyl acetate 42.99
    2-ethylhexyl acetate 29.5
    1,2,4-trichlorobenzene 81.84
    4-methylpyridine 129.06
    dibutyl ether 14.56
    2,6-dimethyl-4-heptanol 10.0
    DEF 120.5
    dimethyl isosorbide 109.5
    tetrachloroethylene 150.77
    eugenol 41.88
    triacetin 45.26
    span 80 31.27
    1,4-butanediol 18.23
    1,1-dichloroethane 165.67
    2-methyl-1-pentanol 16.9
    methyl formate 151.09
    2-methyl-1-butanol 18.48
    n-decane 1.14
    butyronitrile 48.7
    3,7-dimethyl-1-octanol 11.02
    1-chlorooctane 7.45
    1-chlorotetradecane 3.71
    n-nonane 0.94
    undecane 0.94
    tert-butylcyclohexane 1.98
    cyclooctane 0.9
    cyclopentanol 70.36
    tetrahydropyran 163.4
    tert-amyl methyl ether 27.76
    2,5,8-trioxanonane 98.19
    1-hexene 6.85
    2-isopropoxyethanol 45.2
    2,2,2-trifluoroethanol 40.03
    methyl butyrate 66.51

    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