2-Methyl-6-(1-propenyl)pyrazine

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  • Identifiers

    CAS number
    104638-11-1

    Molecular formula
    C8H10N2

    SMILES
    C/C=C/C1=NC(=CN=C1)C

    Safety labels

  • Odor profile

    Fragrance
    Nutty 59.87%
    Roasted 58.51%
    Hazelnut 37.94%
    Earthy 37.18%
    Cocoa 35.81%
    Green 34.82%
    Burnt 34.8%
    Musty 34.31%
    Coffee 33.71%
    Meaty 33.16%

     

    Flavor
    Nutty 45.67%
    Cocoa 37.64%
    Roasted 33.62%
    Woody 33.08%
    Hazelnut 27.3%
    Musty 24.42%
    Chocolate 23.9%
    Coffee 23.8%
    Spice 22.12%
    Soybean 21.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    3.97 (weak acid)

    Molecular weight
    134.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    238°C

    Flash point

    • 86.3 ˚C est.

  • Synonyms

    • 2-methyl-6-(1-propenyl)pyrazine
    • 2-methyl-6-[(E)-prop-1-enyl]pyrazine
    • 2-methyl-6-[(1E)-prop-1-en-1-yl]pyrazine
    • 104638-11-1
    • 2-methyl-6-((E)-prop-1-enyl)pyrazine
    • 2-methyl-6-((1E)-prop-1-en-1-yl)pyrazine
    • RefChem:1063764
    • 18217-81-7
    • 2-Methyl-6-[(E)-1-propenyl]pyrazine
    • Pyrazine, 2-methyl-6-propenyl-, (E)-
    • 2-Methyl-6-(trans-1-propenyl)pyrazine
    • 2-methyl-6-propenylpyrazine
    • YZ5LE428BQ
    • 2-Methyl-6-(1(E)-propenyl)-pyrazine
    • 2-Methyl-6-[(1E)-1-propenyl]pyrazine
    • Pyrazine, 2-methyl-6-(1E)-1-propenyl-
    • 2-Methyl-6-(1-propenyl)pyrazine, (1E)-
    • 2-Methyl-6-(1-propenyl)-pyrazine
    • Pyrazine, 2-methyl-6-(1-propenyl)-, (E)-
    • UNII-YZ5LE428BQ
    • SCHEMBL14153948
    • SCHEMBL30416963
    • DTXSID90939532
    • CHEBI:179432
    • NOBVHXZAVPKZQU-ONEGZZNKSA-N
    • 2-Methyl-6-propenyl-(E)-Pyrazine
    • (E)-2-Methyl-6-(1-propenyl)pyrazine
    • (e)-2-methyl-6-(1-propenyl)-pyrazine
    • 2-Methyl-6-(1-propenyl)-(e)-Pyrazine
    • 2-Methyl-6-(1-propenyl)-(Z)-Pyrazine
    • 2-Methyl-6-(1-propenyl) pyrazine, trans
    • 2-Methyl-6-(1E)-1-propen-1-ylpyrazine
    • 104638-11-1

  • Applications

    2-Methyl-6-(1-propenyl)pyrazine (CAS 104638-11-1) is used primarily as an odorant in perfumery, providing savory and roasted notes; it is commonly evaluated as a flavor/aroma compound for food processing; it also serves as a fragrance ingredient in cosmetics/personal care and as an odorant component in household products such as air fresheners and cleaners; in industrial manufacturing, it can function as an intermediate in the synthesis of other pyrazine-based flavor and fragrance compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 176.61
    methanol 225.96
    isopropanol 108.38
    water 1.24
    ethyl acetate 109.03
    n-propanol 135.51
    acetone 154.22
    n-butanol 132.91
    acetonitrile 121.51
    DMF 310.14
    toluene 121.79
    isobutanol 108.51
    1,4-dioxane 232.49
    methyl acetate 106.83
    THF 352.94
    2-butanone 126.29
    n-pentanol 114.92
    sec-butanol 111.41
    n-hexane 48.35
    ethylene glycol 59.61
    NMP 316.73
    cyclohexane 100.42
    DMSO 294.47
    n-butyl acetate 170.97
    n-octanol 94.76
    chloroform 532.79
    n-propyl acetate 80.13
    acetic acid 197.46
    dichloromethane 507.73
    cyclohexanone 242.6
    propylene glycol 64.76
    isopropyl acetate 58.77
    DMAc 250.86
    2-ethoxyethanol 118.01
    isopentanol 104.57
    n-heptane 79.82
    ethyl formate 120.67
    1,2-dichloroethane 231.68
    n-hexanol 200.5
    2-methoxyethanol 179.19
    isobutyl acetate 59.34
    tetrachloromethane 110.56
    n-pentyl acetate 82.57
    transcutol 301.54
    n-heptanol 82.25
    ethylbenzene 70.19
    MIBK 68.44
    2-propoxyethanol 198.72
    tert-butanol 119.71
    MTBE 99.2
    2-butoxyethanol 103.51
    propionic acid 128.93
    o-xylene 85.72
    formic acid 69.22
    diethyl ether 122.11
    m-xylene 83.82
    p-xylene 93.54
    chlorobenzene 177.77
    dimethyl carbonate 67.92
    n-octane 23.77
    formamide 76.7
    cyclopentanone 252.25
    2-pentanone 107.67
    anisole 104.3
    cyclopentyl methyl ether 175.19
    gamma-butyrolactone 268.29
    1-methoxy-2-propanol 131.46
    pyridine 244.71
    3-pentanone 97.71
    furfural 303.91
    n-dodecane 21.43
    diethylene glycol 135.66
    diisopropyl ether 43.19
    tert-amyl alcohol 112.51
    acetylacetone 99.26
    n-hexadecane 23.74
    acetophenone 101.89
    methyl propionate 109.34
    isopentyl acetate 124.79
    trichloroethylene 428.71
    n-nonanol 79.98
    cyclohexanol 141.24
    benzyl alcohol 100.22
    2-ethylhexanol 130.33
    isooctanol 60.92
    dipropyl ether 145.93
    1,2-dichlorobenzene 165.88
    ethyl lactate 62.88
    propylene carbonate 193.03
    n-methylformamide 138.91
    2-pentanol 81.3
    n-pentane 50.01
    1-propoxy-2-propanol 149.08
    1-methoxy-2-propyl acetate 116.42
    2-(2-methoxypropoxy) propanol 118.45
    mesitylene 54.85
    ε-caprolactone 189.17
    p-cymene 81.23
    epichlorohydrin 261.54
    1,1,1-trichloroethane 230.53
    2-aminoethanol 95.93
    morpholine-4-carbaldehyde 247.58
    sulfolane 347.28
    2,2,4-trimethylpentane 26.23
    2-methyltetrahydrofuran 244.06
    n-hexyl acetate 123.56
    isooctane 16.45
    2-(2-butoxyethoxy)ethanol 139.61
    sec-butyl acetate 51.57
    tert-butyl acetate 64.27
    decalin 39.32
    glycerin 84.63
    diglyme 225.23
    acrylic acid 127.21
    isopropyl myristate 60.36
    n-butyric acid 155.09
    acetyl acetate 72.2
    di(2-ethylhexyl) phthalate 77.81
    ethyl propionate 75.08
    nitromethane 184.9
    1,2-diethoxyethane 137.02
    benzonitrile 154.94
    trioctyl phosphate 58.0
    1-bromopropane 195.59
    gamma-valerolactone 248.62
    n-decanol 63.77
    triethyl phosphate 69.43
    4-methyl-2-pentanol 49.26
    propionitrile 126.18
    vinylene carbonate 202.13
    1,1,2-trichlorotrifluoroethane 212.27
    DMS 100.78
    cumene 56.99
    2-octanol 56.02
    2-hexanone 96.0
    octyl acetate 82.53
    limonene 119.69
    1,2-dimethoxyethane 194.21
    ethyl orthosilicate 66.83
    tributyl phosphate 70.24
    diacetone alcohol 80.31
    N,N-dimethylaniline 93.31
    acrylonitrile 139.09
    aniline 125.65
    1,3-propanediol 104.39
    bromobenzene 206.94
    dibromomethane 378.9
    1,1,2,2-tetrachloroethane 338.95
    2-methyl-cyclohexyl acetate 108.05
    tetrabutyl urea 92.38
    diisobutyl methanol 64.86
    2-phenylethanol 127.06
    styrene 87.43
    dioctyl adipate 94.91
    dimethyl sulfate 106.56
    ethyl butyrate 115.87
    methyl lactate 76.2
    butyl lactate 79.52
    diethyl carbonate 90.6
    propanediol butyl ether 107.73
    triethyl orthoformate 87.97
    p-tert-butyltoluene 71.97
    methyl 4-tert-butylbenzoate 104.13
    morpholine 243.68
    tert-butylamine 96.15
    n-dodecanol 54.52
    dimethoxymethane 175.54
    ethylene carbonate 149.89
    cyrene 116.14
    2-ethoxyethyl acetate 97.55
    2-ethylhexyl acetate 114.02
    1,2,4-trichlorobenzene 177.12
    4-methylpyridine 219.66
    dibutyl ether 106.6
    2,6-dimethyl-4-heptanol 64.86
    DEF 155.38
    dimethyl isosorbide 190.68
    tetrachloroethylene 231.87
    eugenol 108.45
    triacetin 103.93
    span 80 118.32
    1,4-butanediol 65.99
    1,1-dichloroethane 219.56
    2-methyl-1-pentanol 104.19
    methyl formate 120.5
    2-methyl-1-butanol 111.69
    n-decane 29.49
    butyronitrile 149.44
    3,7-dimethyl-1-octanol 83.25
    1-chlorooctane 79.44
    1-chlorotetradecane 41.37
    n-nonane 30.61
    undecane 24.71
    tert-butylcyclohexane 34.02
    cyclooctane 34.31
    cyclopentanol 160.88
    tetrahydropyran 249.6
    tert-amyl methyl ether 91.85
    2,5,8-trioxanonane 178.44
    1-hexene 101.75
    2-isopropoxyethanol 83.84
    2,2,2-trifluoroethanol 67.22
    methyl butyrate 105.01

    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