1-(6-Methylpyrazin-2-yl)ethan-1-one

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  • Identifiers

    CAS number
    22047-26-3

    Molecular formula
    C7H8N2O

    SMILES
    CC1=CN=CC(=N1)C(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 77.62%
    Roasted 75.09%
    Popcorn 66.94%
    Hazelnut 55.28%
    Coffee 45.21%
    Burnt 40.59%
    Cocoa 38.62%
    Potato 38.33%
    Musty 37.0%
    Earthy 36.93%

     

    Flavor
    Nutty 65.43%
    Popcorn 57.14%
    Roasted 53.02%
    Roast 47.06%
    Corn 45.89%
    Hazelnut 43.7%
    Cocoa 43.55%
    Coffee 41.87%
    Musty 39.15%
    Potato 39.13%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    4.71 (weak acid)

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    225°C

    Flash point

    • 102.6 ˚C est.

  • Synonyms

    • 22047-26-3
    • 1-(6-methylpyrazin-2-yl)ethanone
    • 1-(6-Methyl-2-pyrazinyl)ethanone
    • Ethanone, 1-(6-methylpyrazinyl)-
    • 2-Acetyl-6-methylpyrazine
    • 1-(6-methylpyrazin-2-yl)ethan-1-one
    • 1-(6-Methyl-2-pyrazinyl)-1-ethanone
    • 6-Methyl-2-acetylpyrazine
    • 2-Acetyl-6-methylpyrazin
    • 2-Methyl-6-acetylpyrazine
    • 2-acetyl-6-methyl pyrazine
    • Pyrazine, 2-acetyl-6-methyl
    • Pyrazine, 6-acetyl-2-methyl
    • SCHEMBL10307337
    • DTXSID40335904
    • 1-(6-Methyl-2-pyranizyl)-1-ethanone
    • DB-086490
    • NS00113778
    • EN300-7196341
    • 866-192-0

  • Applications

    1-(6-Methylpyrazin-2-yl)ethan-1-one (CAS 22047-26-3) is primarily used as a synthetic building block in the development of heteroaromatic compounds for pharmaceutical and agrochemical applications; it serves as an intermediate for further functionalization to access pyrazine-containing drug candidates and crop-protection agents. It is commonly evaluated as a precursor in medicinal chemistry programs to access diverse pyrazine-based scaffolds, and may be employed in research and development of functional materials for polymers and coatings where the heteroaryl ketone unit enhances electronic properties. In fragrance chemistry, related pyrazine-derived fragments are used as odorants or fragrance intermediates, and this compound may be explored for such applications depending on formulation constraints. The substance is also relevant to industrial manufacturing as a versatile building block under appropriate safety and regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 94.06
    methanol 169.45
    isopropanol 73.34
    water 9.7
    ethyl acetate 109.86
    n-propanol 78.85
    acetone 150.98
    n-butanol 68.23
    acetonitrile 85.42
    DMF 336.74
    toluene 43.45
    isobutanol 65.52
    1,4-dioxane 175.93
    methyl acetate 112.02
    THF 175.0
    2-butanone 127.45
    n-pentanol 48.76
    sec-butanol 67.56
    n-hexane 5.74
    ethylene glycol 71.57
    NMP 275.7
    cyclohexane 4.76
    DMSO 284.44
    n-butyl acetate 51.46
    n-octanol 35.4
    chloroform 173.17
    n-propyl acetate 44.4
    acetic acid 80.78
    dichloromethane 204.28
    cyclohexanone 140.78
    propylene glycol 63.84
    isopropyl acetate 54.16
    DMAc 372.99
    2-ethoxyethanol 101.06
    isopentanol 58.73
    n-heptane 5.35
    ethyl formate 100.59
    1,2-dichloroethane 117.51
    n-hexanol 55.07
    2-methoxyethanol 210.31
    isobutyl acetate 30.92
    tetrachloromethane 27.86
    n-pentyl acetate 38.59
    transcutol 148.6
    n-heptanol 31.15
    ethylbenzene 31.08
    MIBK 54.94
    2-propoxyethanol 113.12
    tert-butanol 79.83
    MTBE 67.69
    2-butoxyethanol 63.67
    propionic acid 79.48
    o-xylene 40.99
    formic acid 73.57
    diethyl ether 61.4
    m-xylene 39.41
    p-xylene 41.77
    chlorobenzene 70.45
    dimethyl carbonate 55.98
    n-octane 3.36
    formamide 74.16
    cyclopentanone 174.61
    2-pentanone 92.26
    anisole 68.56
    cyclopentyl methyl ether 84.91
    gamma-butyrolactone 198.4
    1-methoxy-2-propanol 140.93
    pyridine 99.63
    3-pentanone 82.25
    furfural 232.69
    n-dodecane 3.76
    diethylene glycol 127.12
    diisopropyl ether 18.36
    tert-amyl alcohol 73.86
    acetylacetone 115.78
    n-hexadecane 4.22
    acetophenone 72.83
    methyl propionate 105.82
    isopentyl acetate 47.86
    trichloroethylene 203.96
    n-nonanol 30.34
    cyclohexanol 60.34
    benzyl alcohol 67.92
    2-ethylhexanol 35.86
    isooctanol 27.54
    dipropyl ether 30.71
    1,2-dichlorobenzene 75.79
    ethyl lactate 47.18
    propylene carbonate 110.13
    n-methylformamide 146.92
    2-pentanol 44.14
    n-pentane 5.01
    1-propoxy-2-propanol 72.55
    1-methoxy-2-propyl acetate 68.48
    2-(2-methoxypropoxy) propanol 65.45
    mesitylene 25.01
    ε-caprolactone 123.41
    p-cymene 23.61
    epichlorohydrin 196.02
    1,1,1-trichloroethane 93.55
    2-aminoethanol 86.47
    morpholine-4-carbaldehyde 261.24
    sulfolane 241.32
    2,2,4-trimethylpentane 6.12
    2-methyltetrahydrofuran 128.2
    n-hexyl acetate 56.45
    isooctane 4.14
    2-(2-butoxyethoxy)ethanol 76.35
    sec-butyl acetate 33.36
    tert-butyl acetate 49.29
    decalin 7.75
    glycerin 115.78
    diglyme 141.36
    acrylic acid 79.46
    isopropyl myristate 22.26
    n-butyric acid 89.38
    acetyl acetate 62.79
    di(2-ethylhexyl) phthalate 32.05
    ethyl propionate 53.94
    nitromethane 179.69
    1,2-diethoxyethane 54.38
    benzonitrile 77.81
    trioctyl phosphate 23.02
    1-bromopropane 62.84
    gamma-valerolactone 219.16
    n-decanol 23.96
    triethyl phosphate 32.26
    4-methyl-2-pentanol 30.24
    propionitrile 74.13
    vinylene carbonate 115.87
    1,1,2-trichlorotrifluoroethane 163.95
    DMS 63.28
    cumene 25.59
    2-octanol 25.71
    2-hexanone 53.56
    octyl acetate 30.24
    limonene 29.74
    1,2-dimethoxyethane 151.89
    ethyl orthosilicate 29.8
    tributyl phosphate 26.91
    diacetone alcohol 74.0
    N,N-dimethylaniline 59.22
    acrylonitrile 102.34
    aniline 62.88
    1,3-propanediol 103.99
    bromobenzene 67.43
    dibromomethane 123.59
    1,1,2,2-tetrachloroethane 171.28
    2-methyl-cyclohexyl acetate 38.58
    tetrabutyl urea 38.88
    diisobutyl methanol 23.03
    2-phenylethanol 60.72
    styrene 34.03
    dioctyl adipate 33.92
    dimethyl sulfate 116.74
    ethyl butyrate 41.76
    methyl lactate 78.92
    butyl lactate 42.02
    diethyl carbonate 33.74
    propanediol butyl ether 67.01
    triethyl orthoformate 34.09
    p-tert-butyltoluene 22.57
    methyl 4-tert-butylbenzoate 58.19
    morpholine 155.97
    tert-butylamine 43.37
    n-dodecanol 19.12
    dimethoxymethane 148.52
    ethylene carbonate 88.9
    cyrene 82.12
    2-ethoxyethyl acetate 56.31
    2-ethylhexyl acetate 38.22
    1,2,4-trichlorobenzene 90.5
    4-methylpyridine 124.75
    dibutyl ether 31.14
    2,6-dimethyl-4-heptanol 23.03
    DEF 154.85
    dimethyl isosorbide 100.42
    tetrachloroethylene 107.07
    eugenol 68.38
    triacetin 53.51
    span 80 49.11
    1,4-butanediol 53.76
    1,1-dichloroethane 111.0
    2-methyl-1-pentanol 49.44
    methyl formate 137.36
    2-methyl-1-butanol 63.14
    n-decane 5.56
    butyronitrile 75.31
    3,7-dimethyl-1-octanol 34.2
    1-chlorooctane 23.27
    1-chlorotetradecane 10.8
    n-nonane 5.34
    undecane 4.47
    tert-butylcyclohexane 8.6
    cyclooctane 2.69
    cyclopentanol 75.29
    tetrahydropyran 91.54
    tert-amyl methyl ether 61.37
    2,5,8-trioxanonane 97.19
    1-hexene 21.83
    2-isopropoxyethanol 66.95
    2,2,2-trifluoroethanol 58.43
    methyl butyrate 73.05

    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