7,8-Dihydro-5,6-dehydrokawain

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  • Identifiers

    CAS number
    3155-51-9

    Molecular formula
    C14H14O3

    SMILES
    COC1=CC(=O)OC(=C1)CCC2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 63.26%
    Floral 50.39%
    Balsamic 39.21%
    Fatty 39.07%
    Honey 37.13%
    Waxy 36.92%
    Fruity 35.88%
    Creamy 34.37%
    Powdery 32.73%
    Spicy 30.25%

     

    Flavor
    Sweet 51.87%
    Balsam 49.43%
    Waxy 43.43%
    Floral 39.69%
    Green 36.73%
    Fruity 31.61%
    Creamy 31.3%
    Honey 29.35%
    Oily 28.9%
    Bitter 28.55%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.22 (neutral)

    Molecular weight
    230.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    403°C

    Flash point

    • 154.3 ˚C est.

  • Synonyms

    • 3155-51-9
    • 7,8-Dihydro-5,6-dehydrokawain
    • 4-Methoxy-6-(2-phenylethyl)-2H-pyran-2-one
    • Dihydro-5,6-dehydrokawain
    • 5,6-Ddk
    • 4-METHOXY-6-(2-PHENYLETHYL)PYRAN-2-ONE
    • DTXSID10185453
    • 5,6-Didehydro-7,8-dihydrokawain
    • RefChem:544816
    • DTXCID20107944
    • 112-297-5
    • 2H-Pyran-2-one, 4-methoxy-6-(2-phenylethyl)-
    • 4-Methoxy-6-phenethyl-2H-pyran-2-one
    • 5,6-Dehydro-7,8-dihydrokavain; 5,6-Didehydro-7,8-dihydrokawain; 5,6-Dehydro-7,8-dihydrokawain;
    • CHEMBL1946699
    • SCHEMBL19679894
    • 5,6-Dehydro-7,8-dihydrokavain
    • CHEBI:157717
    • OVXOWIKMOIVICB-UHFFFAOYSA-N
    • 4-methoxy-6-phenethyl-pyran-2-one
    • DAA15551
    • Kawain, 5,6-dehydro-7,8-dihydro-
    • 2H-Pyran-2-one, 4-methoxy-6-phenethyl-
    • DB-295452
    • 2,4-Heptadienoic acid, 5-hydroxy-3-methoxy-7-phenyl-, .delta.-lactone
    • 3155-51-9

  • Applications

    7,8-Dihydro-5,6-dehydrokawain (CAS 3155-51-9) is primarily used as a chemical intermediate and building block in the synthesis of kawain-type lactones and related derivatives for pharmaceutical research; it is also considered a component for cosmetic and personal care formulation development and may be evaluated in fragrance research; in industrial chemical manufacturing, it serves as a precursor to related lactone and heterocyclic structures for further synthesis; chemical suppliers and research laboratories commonly use it as a standard reagent for synthesis and exploring new applications; these uses are subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 137.01
    methanol 142.14
    isopropanol 65.6
    water 0.02
    ethyl acetate 182.52
    n-propanol 95.48
    acetone 360.38
    n-butanol 60.13
    acetonitrile 217.08
    DMF 528.14
    toluene 97.31
    isobutanol 49.74
    1,4-dioxane 434.98
    methyl acetate 228.84
    THF 673.61
    2-butanone 252.83
    n-pentanol 42.12
    sec-butanol 48.94
    n-hexane 0.8
    ethylene glycol 55.08
    NMP 229.93
    cyclohexane 2.43
    DMSO 1616.06
    n-butyl acetate 64.64
    n-octanol 10.29
    chloroform 509.87
    n-propyl acetate 65.78
    acetic acid 108.63
    dichloromethane 640.58
    cyclohexanone 212.49
    propylene glycol 98.07
    isopropyl acetate 68.81
    DMAc 559.02
    2-ethoxyethanol 179.42
    isopentanol 44.29
    n-heptane 1.08
    ethyl formate 79.58
    1,2-dichloroethane 501.81
    n-hexanol 33.16
    2-methoxyethanol 410.06
    isobutyl acetate 42.12
    tetrachloromethane 16.61
    n-pentyl acetate 26.49
    transcutol 555.1
    n-heptanol 12.39
    ethylbenzene 30.09
    MIBK 67.55
    2-propoxyethanol 139.75
    tert-butanol 71.2
    MTBE 61.36
    2-butoxyethanol 51.45
    propionic acid 100.1
    o-xylene 32.6
    formic acid 48.39
    diethyl ether 89.98
    m-xylene 37.92
    p-xylene 33.5
    chlorobenzene 120.06
    dimethyl carbonate 104.92
    n-octane 0.55
    formamide 139.35
    cyclopentanone 387.63
    2-pentanone 135.8
    anisole 117.8
    cyclopentyl methyl ether 139.25
    gamma-butyrolactone 372.7
    1-methoxy-2-propanol 220.69
    pyridine 351.03
    3-pentanone 117.0
    furfural 317.28
    n-dodecane 0.87
    diethylene glycol 157.16
    diisopropyl ether 14.02
    tert-amyl alcohol 49.4
    acetylacetone 237.77
    n-hexadecane 1.06
    acetophenone 88.85
    methyl propionate 195.88
    isopentyl acetate 60.15
    trichloroethylene 746.4
    n-nonanol 11.03
    cyclohexanol 48.9
    benzyl alcohol 86.35
    2-ethylhexanol 20.34
    isooctanol 12.01
    dipropyl ether 31.78
    1,2-dichlorobenzene 93.77
    ethyl lactate 43.71
    propylene carbonate 124.31
    n-methylformamide 213.65
    2-pentanol 24.92
    n-pentane 0.64
    1-propoxy-2-propanol 76.23
    1-methoxy-2-propyl acetate 113.51
    2-(2-methoxypropoxy) propanol 86.62
    mesitylene 17.45
    ε-caprolactone 141.27
    p-cymene 15.83
    epichlorohydrin 757.0
    1,1,1-trichloroethane 175.7
    2-aminoethanol 103.47
    morpholine-4-carbaldehyde 285.19
    sulfolane 454.85
    2,2,4-trimethylpentane 1.4
    2-methyltetrahydrofuran 245.71
    n-hexyl acetate 39.8
    isooctane 1.09
    2-(2-butoxyethoxy)ethanol 112.72
    sec-butyl acetate 43.08
    tert-butyl acetate 76.94
    decalin 2.96
    glycerin 141.72
    diglyme 257.26
    acrylic acid 97.17
    isopropyl myristate 18.83
    n-butyric acid 92.93
    acetyl acetate 92.88
    di(2-ethylhexyl) phthalate 25.17
    ethyl propionate 67.46
    nitromethane 420.9
    1,2-diethoxyethane 114.41
    benzonitrile 91.72
    trioctyl phosphate 13.85
    1-bromopropane 114.36
    gamma-valerolactone 386.31
    n-decanol 9.23
    triethyl phosphate 32.78
    4-methyl-2-pentanol 16.9
    propionitrile 121.91
    vinylene carbonate 118.18
    1,1,2-trichlorotrifluoroethane 294.3
    DMS 81.11
    cumene 17.82
    2-octanol 7.25
    2-hexanone 68.35
    octyl acetate 23.52
    limonene 20.15
    1,2-dimethoxyethane 252.23
    ethyl orthosilicate 28.97
    tributyl phosphate 21.74
    diacetone alcohol 109.14
    N,N-dimethylaniline 56.83
    acrylonitrile 187.58
    aniline 136.78
    1,3-propanediol 131.56
    bromobenzene 133.45
    dibromomethane 310.94
    1,1,2,2-tetrachloroethane 512.21
    2-methyl-cyclohexyl acetate 45.98
    tetrabutyl urea 32.12
    diisobutyl methanol 14.43
    2-phenylethanol 63.39
    styrene 47.67
    dioctyl adipate 39.25
    dimethyl sulfate 188.49
    ethyl butyrate 52.1
    methyl lactate 93.79
    butyl lactate 31.19
    diethyl carbonate 44.53
    propanediol butyl ether 51.14
    triethyl orthoformate 40.17
    p-tert-butyltoluene 15.08
    methyl 4-tert-butylbenzoate 60.3
    morpholine 524.06
    tert-butylamine 27.2
    n-dodecanol 7.92
    dimethoxymethane 378.34
    ethylene carbonate 90.47
    cyrene 79.98
    2-ethoxyethyl acetate 72.96
    2-ethylhexyl acetate 43.51
    1,2,4-trichlorobenzene 127.79
    4-methylpyridine 222.7
    dibutyl ether 23.15
    2,6-dimethyl-4-heptanol 14.43
    DEF 136.18
    dimethyl isosorbide 149.47
    tetrachloroethylene 213.13
    eugenol 61.21
    triacetin 66.3
    span 80 47.22
    1,4-butanediol 41.2
    1,1-dichloroethane 272.03
    2-methyl-1-pentanol 35.68
    methyl formate 146.35
    2-methyl-1-butanol 39.79
    n-decane 1.14
    butyronitrile 84.56
    3,7-dimethyl-1-octanol 17.16
    1-chlorooctane 8.84
    1-chlorotetradecane 4.53
    n-nonane 0.93
    undecane 0.99
    tert-butylcyclohexane 2.78
    cyclooctane 0.73
    cyclopentanol 67.64
    tetrahydropyran 254.56
    tert-amyl methyl ether 44.59
    2,5,8-trioxanonane 180.64
    1-hexene 9.26
    2-isopropoxyethanol 89.96
    2,2,2-trifluoroethanol 40.38
    methyl butyrate 81.55

    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