4'-Hydroxydehydrokawain

Overview IFRA Request a quote

  • Identifiers

    CAS number
    39986-86-2

    Molecular formula
    C14H12O4

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 59.81%
    Spicy 50.39%
    Balsamic 43.33%
    Phenolic 40.66%
    Vanilla 40.36%
    Fruity 33.89%
    Powdery 32.65%
    Coumarinic 32.55%
    Creamy 29.72%
    Coconut 29.19%

     

    Flavor
    Bitter 65.48%
    Balsam 26.04%
    Sweet 21.09%
    Curry 20.16%
    Ethyl benzoate 20.05%
    Lovage 20.0%
    Nitrile 19.74%
    Almond shell 19.63%
    Parsley 19.38%
    Cadaverous 19.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.51 (weak base)

    Molecular weight
    244.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    545°C

    Flash point

    • 186.85 ˚C est.

  • Synonyms

    • 39986-86-2
    • 4'-Hydroxydehydrokawain
    • 6-[(e)-2-(4-hydroxyphenyl)ethenyl]-4-methoxypyran-2-one
    • DTXSID10193038
    • 2H-Pyran-2-one, 6-(2-(4-hydroxyphenyl)ethenyl)-4-methoxy-, (E)-
    • 6-((E)-2-(4-hydroxyphenyl)ethenyl)-4-methoxypyran-2-one
    • RefChem:96010
    • DTXCID20115529
    • P-HYDROXY-5,6-DEHYDROKAWAIN
    • (E)-6-(4-Hydroxystyryl)-4-methoxy-2H-pyran-2-one
    • 4/'-Hydroxy-5,6-dehydrokawain
    • CHEMBL464111
    • orb1297253
    • SCHEMBL9016266
    • 6-[(1E)-2-(4-hydroxyphenyl)ethenyl]-4-methoxy-2H-pyran-2-one
    • HY-N1899
    • MFCD01861496
    • AKOS030537194
    • EBC-617750
    • FS-7905
    • DA-66692
    • CS-0017857
    • G90350
    • 6-[(E)-2-(4-hydroxyphenyl)vinyl]-4-methoxy-pyran-2-one
    • 6-[(E)-2-(4-Hydroxyphenyl)ethen-1-yl]-4-methoxy-2H-pyran-2-one
    • 39986-86-2

  • Applications

    4'-Hydroxydehydrokawain (CAS 39986-86-2) is primarily used as an intermediate in organic synthesis and as a building block for derivative synthesis within the kavalactone family; it may function as a fragrance ingredient in perfumery and personal care formulations; it is commonly evaluated as a scaffold or precursor in pharmaceutical research and development; it can serve as a building block for polymer synthesis in industrial contexts; usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 64.65
    methanol 82.79
    isopropanol 41.33
    water 0.02
    ethyl acetate 55.61
    n-propanol 43.96
    acetone 214.42
    n-butanol 24.04
    acetonitrile 87.33
    DMF 156.78
    toluene 10.27
    isobutanol 22.69
    1,4-dioxane 173.96
    methyl acetate 103.03
    THF 696.82
    2-butanone 136.92
    n-pentanol 18.19
    sec-butanol 29.59
    n-hexane 0.09
    ethylene glycol 43.14
    NMP 55.41
    cyclohexane 0.21
    DMSO 1234.18
    n-butyl acetate 21.65
    n-octanol 5.29
    chloroform 27.69
    n-propyl acetate 25.54
    acetic acid 52.99
    dichloromethane 29.97
    cyclohexanone 59.83
    propylene glycol 106.94
    isopropyl acetate 27.19
    DMAc 324.66
    2-ethoxyethanol 127.21
    isopentanol 19.46
    n-heptane 0.28
    ethyl formate 31.98
    1,2-dichloroethane 36.15
    n-hexanol 11.7
    2-methoxyethanol 304.96
    isobutyl acetate 16.65
    tetrachloromethane 1.68
    n-pentyl acetate 8.27
    transcutol 284.52
    n-heptanol 5.52
    ethylbenzene 4.68
    MIBK 28.23
    2-propoxyethanol 90.15
    tert-butanol 58.96
    MTBE 33.54
    2-butoxyethanol 29.7
    propionic acid 44.14
    o-xylene 6.04
    formic acid 28.02
    diethyl ether 23.46
    m-xylene 5.3
    p-xylene 6.46
    chlorobenzene 10.5
    dimethyl carbonate 47.63
    n-octane 0.16
    formamide 85.54
    cyclopentanone 144.63
    2-pentanone 51.22
    anisole 40.78
    cyclopentyl methyl ether 42.59
    gamma-butyrolactone 145.33
    1-methoxy-2-propanol 183.82
    pyridine 76.1
    3-pentanone 37.44
    furfural 99.68
    n-dodecane 0.41
    diethylene glycol 116.7
    diisopropyl ether 4.9
    tert-amyl alcohol 36.29
    acetylacetone 103.42
    n-hexadecane 0.47
    acetophenone 32.18
    methyl propionate 66.68
    isopentyl acetate 23.92
    trichloroethylene 62.86
    n-nonanol 6.06
    cyclohexanol 17.46
    benzyl alcohol 34.42
    2-ethylhexanol 8.12
    isooctanol 5.43
    dipropyl ether 13.48
    1,2-dichlorobenzene 10.44
    ethyl lactate 26.51
    propylene carbonate 40.87
    n-methylformamide 90.66
    2-pentanol 12.25
    n-pentane 0.09
    1-propoxy-2-propanol 50.35
    1-methoxy-2-propyl acetate 56.82
    2-(2-methoxypropoxy) propanol 56.85
    mesitylene 3.49
    ε-caprolactone 46.15
    p-cymene 5.11
    epichlorohydrin 252.45
    1,1,1-trichloroethane 20.21
    2-aminoethanol 79.94
    morpholine-4-carbaldehyde 121.2
    sulfolane 194.49
    2,2,4-trimethylpentane 0.36
    2-methyltetrahydrofuran 108.88
    n-hexyl acetate 13.83
    isooctane 0.26
    2-(2-butoxyethoxy)ethanol 70.14
    sec-butyl acetate 18.71
    tert-butyl acetate 38.0
    decalin 0.54
    glycerin 134.08
    diglyme 145.67
    acrylic acid 42.81
    isopropyl myristate 9.52
    n-butyric acid 35.59
    acetyl acetate 33.5
    di(2-ethylhexyl) phthalate 12.56
    ethyl propionate 27.55
    nitromethane 201.85
    1,2-diethoxyethane 55.55
    benzonitrile 24.86
    trioctyl phosphate 7.07
    1-bromopropane 9.12
    gamma-valerolactone 154.8
    n-decanol 5.3
    triethyl phosphate 17.33
    4-methyl-2-pentanol 8.47
    propionitrile 45.25
    vinylene carbonate 32.43
    1,1,2-trichlorotrifluoroethane 117.5
    DMS 32.83
    cumene 4.25
    2-octanol 3.26
    2-hexanone 29.79
    octyl acetate 10.83
    limonene 5.8
    1,2-dimethoxyethane 174.84
    ethyl orthosilicate 15.62
    tributyl phosphate 10.78
    diacetone alcohol 69.65
    N,N-dimethylaniline 21.23
    acrylonitrile 64.85
    aniline 33.5
    1,3-propanediol 95.4
    bromobenzene 9.06
    dibromomethane 13.39
    1,1,2,2-tetrachloroethane 59.11
    2-methyl-cyclohexyl acetate 20.91
    tetrabutyl urea 16.52
    diisobutyl methanol 7.57
    2-phenylethanol 24.37
    styrene 6.86
    dioctyl adipate 19.18
    dimethyl sulfate 84.65
    ethyl butyrate 20.92
    methyl lactate 61.29
    butyl lactate 14.79
    diethyl carbonate 19.91
    propanediol butyl ether 32.31
    triethyl orthoformate 21.41
    p-tert-butyltoluene 5.03
    methyl 4-tert-butylbenzoate 28.09
    morpholine 241.12
    tert-butylamine 14.89
    n-dodecanol 4.63
    dimethoxymethane 205.44
    ethylene carbonate 27.32
    cyrene 43.89
    2-ethoxyethyl acetate 27.66
    2-ethylhexyl acetate 15.77
    1,2,4-trichlorobenzene 18.24
    4-methylpyridine 50.12
    dibutyl ether 11.03
    2,6-dimethyl-4-heptanol 7.57
    DEF 44.25
    dimethyl isosorbide 91.9
    tetrachloroethylene 20.57
    eugenol 31.27
    triacetin 30.99
    span 80 27.62
    1,4-butanediol 29.22
    1,1-dichloroethane 22.02
    2-methyl-1-pentanol 16.02
    methyl formate 69.29
    2-methyl-1-butanol 17.94
    n-decane 0.48
    butyronitrile 28.51
    3,7-dimethyl-1-octanol 8.85
    1-chlorooctane 2.98
    1-chlorotetradecane 1.86
    n-nonane 0.34
    undecane 0.44
    tert-butylcyclohexane 0.56
    cyclooctane 0.12
    cyclopentanol 30.17
    tetrahydropyran 71.67
    tert-amyl methyl ether 23.85
    2,5,8-trioxanonane 116.87
    1-hexene 1.04
    2-isopropoxyethanol 61.11
    2,2,2-trifluoroethanol 17.57
    methyl butyrate 30.96

    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