(Z)-6-(2-Methoxyvinyl)-7-methyl-2H-1-benzopyran-2-one

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  • Identifiers

    CAS number
    195259-91-7

    Molecular formula
    C13H12O3

    SMILES
    CC1=CC2=C(C=CC(=O)O2)C=C1/C=C\OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 70.04%
    Floral 54.11%
    Spicy 43.61%
    Powdery 40.83%
    Vanilla 36.34%
    Coumarinic 34.55%
    Green 33.36%
    Hay 33.19%
    Anisic 33.15%
    Nutty 32.59%

     

    Flavor
    Bitter 62.69%
    Sweet 34.01%
    Balsam 25.41%
    Vanilla 23.94%
    Floral 23.83%
    Woody 22.46%
    Spice 22.45%
    Spicy 21.2%
    Powdery 20.69%
    Curry 19.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    5.61 (weak acid)

    Molecular weight
    216.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    375°C

    Melting point expt.

    • 168 - 170 °C

    Flash point

    • 157.99 ˚C est.

  • Synonyms

    • (Z)-6-(2-Methoxyvinyl)-7-methyl-2H-1-benzopyran-2-one
    • 6-[(Z)-2-methoxyethenyl]-7-methylchromen-2-one
    • CHEBI:174093
    • DTXSID301201933
    • 195259-91-7
    • 6-[(Z)-2-methoxyethenyl]-7-methyl-2H-chromen-2-one
    • 6-[(Z)-2-Methoxyethenyl]-7-methyl-2H-1-benzopyran-2-one
    • 6-[(1Z)-2-Methoxyethenyl]-7-methyl-2H-1-benzopyran-2-one
    • 195259-91-7

  • Applications

    Chemical name: (Z)-6-(2-Methoxyvinyl)-7-methyl-2H-1-benzopyran-2-one; CAS number: 195259-91-7. Applications include serving as a synthetic intermediate for chromone-based pharmaceuticals, acting as a building block for chromone derivatives with potential biological activity; used as a fragrance and flavor precursor or ingredient in perfumery and food flavor industries; employed in cosmetics/personal care as a fragrance component and potential aroma fixative; and evaluated as a chemical intermediate in industrial manufacturing for chromone synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.51
    methanol 20.89
    isopropanol 12.54
    water 0.01
    ethyl acetate 28.93
    n-propanol 18.29
    acetone 34.65
    n-butanol 14.61
    acetonitrile 26.28
    DMF 112.06
    toluene 23.21
    isobutanol 13.59
    1,4-dioxane 91.5
    methyl acetate 42.52
    THF 110.49
    2-butanone 50.17
    n-pentanol 15.28
    sec-butanol 12.3
    n-hexane 0.2
    ethylene glycol 5.62
    NMP 44.48
    cyclohexane 0.59
    DMSO 104.1
    n-butyl acetate 24.98
    n-octanol 5.69
    chloroform 69.76
    n-propyl acetate 29.8
    acetic acid 23.56
    dichloromethane 126.6
    cyclohexanone 55.79
    propylene glycol 6.3
    isopropyl acetate 15.62
    DMAc 114.08
    2-ethoxyethanol 49.37
    isopentanol 15.76
    n-heptane 0.42
    ethyl formate 20.13
    1,2-dichloroethane 92.19
    n-hexanol 15.92
    2-methoxyethanol 79.9
    isobutyl acetate 20.01
    tetrachloromethane 3.1
    n-pentyl acetate 14.76
    transcutol 152.92
    n-heptanol 8.21
    ethylbenzene 12.97
    MIBK 19.18
    2-propoxyethanol 53.03
    tert-butanol 25.24
    MTBE 16.69
    2-butoxyethanol 27.87
    propionic acid 15.83
    o-xylene 14.09
    formic acid 10.64
    diethyl ether 15.82
    m-xylene 13.11
    p-xylene 18.32
    chlorobenzene 25.49
    dimethyl carbonate 15.88
    n-octane 0.31
    formamide 32.38
    cyclopentanone 64.15
    2-pentanone 26.48
    anisole 39.25
    cyclopentyl methyl ether 30.4
    gamma-butyrolactone 61.23
    1-methoxy-2-propanol 43.11
    pyridine 96.82
    3-pentanone 23.7
    furfural 78.96
    n-dodecane 0.44
    diethylene glycol 41.18
    diisopropyl ether 3.83
    tert-amyl alcohol 18.93
    acetylacetone 36.73
    n-hexadecane 0.53
    acetophenone 37.56
    methyl propionate 29.01
    isopentyl acetate 26.08
    trichloroethylene 159.69
    n-nonanol 6.6
    cyclohexanol 13.99
    benzyl alcohol 33.94
    2-ethylhexanol 12.04
    isooctanol 8.04
    dipropyl ether 11.4
    1,2-dichlorobenzene 24.01
    ethyl lactate 12.74
    propylene carbonate 25.36
    n-methylformamide 39.58
    2-pentanol 7.13
    n-pentane 0.15
    1-propoxy-2-propanol 26.51
    1-methoxy-2-propyl acetate 32.63
    2-(2-methoxypropoxy) propanol 35.23
    mesitylene 6.24
    ε-caprolactone 47.06
    p-cymene 8.7
    epichlorohydrin 162.75
    1,1,1-trichloroethane 29.32
    2-aminoethanol 13.42
    morpholine-4-carbaldehyde 91.57
    sulfolane 65.91
    2,2,4-trimethylpentane 0.49
    2-methyltetrahydrofuran 58.01
    n-hexyl acetate 17.88
    isooctane 0.34
    2-(2-butoxyethoxy)ethanol 45.01
    sec-butyl acetate 19.03
    tert-butyl acetate 21.23
    decalin 1.06
    glycerin 15.76
    diglyme 105.48
    acrylic acid 15.79
    isopropyl myristate 8.75
    n-butyric acid 21.29
    acetyl acetate 15.66
    di(2-ethylhexyl) phthalate 12.56
    ethyl propionate 23.51
    nitromethane 62.71
    1,2-diethoxyethane 41.23
    benzonitrile 32.57
    trioctyl phosphate 6.92
    1-bromopropane 22.79
    gamma-valerolactone 105.69
    n-decanol 5.56
    triethyl phosphate 14.98
    4-methyl-2-pentanol 6.56
    propionitrile 27.3
    vinylene carbonate 29.11
    1,1,2-trichlorotrifluoroethane 59.19
    DMS 24.67
    cumene 9.67
    2-octanol 5.04
    2-hexanone 30.33
    octyl acetate 10.68
    limonene 9.06
    1,2-dimethoxyethane 107.95
    ethyl orthosilicate 14.66
    tributyl phosphate 9.5
    diacetone alcohol 33.62
    N,N-dimethylaniline 26.0
    acrylonitrile 40.8
    aniline 31.85
    1,3-propanediol 24.62
    bromobenzene 24.74
    dibromomethane 50.95
    1,1,2,2-tetrachloroethane 86.76
    2-methyl-cyclohexyl acetate 23.02
    tetrabutyl urea 14.54
    diisobutyl methanol 7.9
    2-phenylethanol 31.4
    styrene 15.15
    dioctyl adipate 15.99
    dimethyl sulfate 28.03
    ethyl butyrate 21.39
    methyl lactate 12.42
    butyl lactate 13.12
    diethyl carbonate 17.12
    propanediol butyl ether 17.73
    triethyl orthoformate 17.81
    p-tert-butyltoluene 7.31
    methyl 4-tert-butylbenzoate 26.53
    morpholine 110.04
    tert-butylamine 9.48
    n-dodecanol 4.6
    dimethoxymethane 72.44
    ethylene carbonate 22.15
    cyrene 35.23
    2-ethoxyethyl acetate 32.67
    2-ethylhexyl acetate 20.91
    1,2,4-trichlorobenzene 31.0
    4-methylpyridine 71.81
    dibutyl ether 10.59
    2,6-dimethyl-4-heptanol 7.9
    DEF 37.25
    dimethyl isosorbide 63.33
    tetrachloroethylene 49.45
    eugenol 32.66
    triacetin 23.8
    span 80 20.11
    1,4-butanediol 8.77
    1,1-dichloroethane 39.74
    2-methyl-1-pentanol 18.15
    methyl formate 29.71
    2-methyl-1-butanol 14.68
    n-decane 0.63
    butyronitrile 21.42
    3,7-dimethyl-1-octanol 8.89
    1-chlorooctane 4.27
    1-chlorotetradecane 2.19
    n-nonane 0.47
    undecane 0.53
    tert-butylcyclohexane 1.03
    cyclooctane 0.21
    cyclopentanol 14.55
    tetrahydropyran 50.22
    tert-amyl methyl ether 13.65
    2,5,8-trioxanonane 71.57
    1-hexene 3.01
    2-isopropoxyethanol 34.59
    2,2,2-trifluoroethanol 9.14
    methyl butyrate 32.78

    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