2-Acetyl-5-methylpyrazine

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  • Identifiers

    CAS number
    22047-27-4

    Molecular formula
    C7H8N2O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 84.53%
    Roasted 76.84%
    Popcorn 70.99%
    Hazelnut 59.12%
    Coffee 47.94%
    Cocoa 44.73%
    Musty 44.7%
    Potato 42.77%
    Burnt 42.27%
    Earthy 42.17%

     

    Flavor
    Nutty 70.12%
    Popcorn 62.26%
    Roasted 51.9%
    Roast 50.47%
    Corn 50.1%
    Coffee 46.03%
    Hazelnut 45.46%
    Cocoa 44.37%
    Chip 42.07%
    Chocolate 41.86%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    4.3 (weak acid)

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    231°C

    Flash point

    • 112.1 ˚C est.

  • Synonyms

    • 22047-27-4
    • 1-(5-methylpyrazin-2-yl)ethanone
    • 1-(5-METHYL-PYRAZIN-2-YL)-ETHANONE
    • 2-ACETYL-5-METHYLPYRAZINE
    • 1-(5-METHYLPYRAZIN-2-YL)ETHAN-1-ONE
    • 1-(5-Methyl-2-pyrazinyl)ethanone
    • 5-Methyl-2-acetylpyrazine
    • Ethanone, 1-(5-methylpyrazinyl)-
    • X6TS3KS3X3
    • 1-(5-Methyl-2-pyrazinyl)-1-ethanone
    • UNII-X6TS3KS3X3
    • Pyrazine, 2-acetyl-5-methyl
    • Pyrazine, 5-acetyl-2-methyl
    • DTXSID10176523
    • 2-METHYL-5-ACETYLPYRAZINE
    • 1-(5-Methyl-2-pyranizyl)-1-ethanone
    • KETONE, METHYL 5-METHYLPYRAZINYL
    • ETHANONE, 1-(5-METHYL-2-PYRAZINYL)-
    • 1-(5-Methyl-2-pyrazinyl)ethanone; 1-(5-Methylpyrazin-2-yl)ethan-1-one; 2-Acetyl-5-methylpyrazine; 2-Methyl-5-acetylpyrazine; 5-Acetyl-2-methylpyrazine;
    • MFCD00055037
    • 2-Acetyl-5-methylpyrazin
    • 2-acetyl-5-methyl pyrazine
    • SCHEMBL1608749
    • DTXCID1099014
    • XAA04727
    • AKOS022903040
    • 1-(5-methylpyrazin-2-yl)-1-ethanone
    • AB02269
    • AS-37062
    • DB-102745
    • CS-0318294
    • NS00113864
    • EN300-218637

  • Applications

    2-Acetyl-5-methylpyrazine is primarily used as a flavor and fragrance ingredient, providing roasted, nutty, and savory notes that enhance coffee, chocolate, nut-based snacks, and bakery formulations. It also serves in perfumery and cosmetics as an aroma component to add warm, toasty character to fragrances and personal care products. In household products, it can contribute similar scent profiles to air fresheners and cleaners. In industrial manufacturing, it may function as an odorant or as an intermediate in the synthesis of other pyrazine derivatives and related materials, including use in polymers/plastics and coatings/inks to tailor fragrance release. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 32.67
    methanol 57.44
    isopropanol 20.92
    water 18.61
    ethyl acetate 14.6
    n-propanol 22.18
    acetone 23.54
    n-butanol 19.49
    acetonitrile 37.89
    DMF 100.69
    toluene 6.8
    isobutanol 20.95
    1,4-dioxane 58.46
    methyl acetate 23.57
    THF 71.62
    2-butanone 18.47
    n-pentanol 15.8
    sec-butanol 16.88
    n-hexane 0.96
    ethylene glycol 22.89
    NMP 166.91
    cyclohexane 2.94
    DMSO 91.12
    n-butyl acetate 17.07
    n-octanol 12.86
    chloroform 54.1
    n-propyl acetate 11.44
    acetic acid 80.46
    dichloromethane 82.29
    cyclohexanone 53.37
    propylene glycol 20.79
    isopropyl acetate 8.79
    DMAc 127.16
    2-ethoxyethanol 28.06
    isopentanol 18.91
    n-heptane 1.99
    ethyl formate 33.43
    1,2-dichloroethane 29.91
    n-hexanol 17.8
    2-methoxyethanol 60.93
    isobutyl acetate 9.56
    tetrachloromethane 9.43
    n-pentyl acetate 12.08
    transcutol 93.99
    n-heptanol 11.33
    ethylbenzene 6.33
    MIBK 9.5
    2-propoxyethanol 35.74
    tert-butanol 27.67
    MTBE 10.0
    2-butoxyethanol 24.45
    propionic acid 38.27
    o-xylene 10.83
    formic acid 81.96
    diethyl ether 6.17
    m-xylene 7.45
    p-xylene 14.12
    chlorobenzene 21.28
    dimethyl carbonate 12.65
    n-octane 0.97
    formamide 94.48
    cyclopentanone 62.71
    2-pentanone 11.19
    anisole 18.66
    cyclopentyl methyl ether 21.03
    gamma-butyrolactone 95.98
    1-methoxy-2-propanol 32.27
    pyridine 49.71
    3-pentanone 10.03
    furfural 119.16
    n-dodecane 1.13
    diethylene glycol 41.97
    diisopropyl ether 2.64
    tert-amyl alcohol 23.82
    acetylacetone 20.57
    n-hexadecane 1.25
    acetophenone 25.57
    methyl propionate 16.79
    isopentyl acetate 17.91
    trichloroethylene 68.4
    n-nonanol 12.08
    cyclohexanol 25.47
    benzyl alcohol 23.76
    2-ethylhexanol 14.61
    isooctanol 10.28
    dipropyl ether 9.44
    1,2-dichlorobenzene 28.8
    ethyl lactate 14.67
    propylene carbonate 58.16
    n-methylformamide 58.03
    2-pentanol 8.94
    n-pentane 0.88
    1-propoxy-2-propanol 23.79
    1-methoxy-2-propyl acetate 22.3
    2-(2-methoxypropoxy) propanol 38.54
    mesitylene 5.72
    ε-caprolactone 52.06
    p-cymene 9.96
    epichlorohydrin 71.19
    1,1,1-trichloroethane 23.8
    2-aminoethanol 33.38
    morpholine-4-carbaldehyde 116.95
    sulfolane 114.93
    2,2,4-trimethylpentane 1.37
    2-methyltetrahydrofuran 42.65
    n-hexyl acetate 19.31
    isooctane 0.68
    2-(2-butoxyethoxy)ethanol 43.74
    sec-butyl acetate 7.76
    tert-butyl acetate 11.26
    decalin 2.37
    glycerin 39.04
    diglyme 67.42
    acrylic acid 46.14
    isopropyl myristate 9.08
    n-butyric acid 38.31
    acetyl acetate 18.03
    di(2-ethylhexyl) phthalate 18.65
    ethyl propionate 11.36
    nitromethane 96.2
    1,2-diethoxyethane 18.79
    benzonitrile 35.92
    trioctyl phosphate 11.64
    1-bromopropane 10.91
    gamma-valerolactone 91.5
    n-decanol 9.79
    triethyl phosphate 17.61
    4-methyl-2-pentanol 7.47
    propionitrile 24.33
    vinylene carbonate 63.97
    1,1,2-trichlorotrifluoroethane 73.09
    DMS 21.47
    cumene 7.75
    2-octanol 7.88
    2-hexanone 12.28
    octyl acetate 12.98
    limonene 13.22
    1,2-dimethoxyethane 49.9
    ethyl orthosilicate 15.73
    tributyl phosphate 14.59
    diacetone alcohol 22.09
    N,N-dimethylaniline 21.95
    acrylonitrile 37.85
    aniline 21.39
    1,3-propanediol 35.8
    bromobenzene 17.09
    dibromomethane 37.77
    1,1,2,2-tetrachloroethane 49.99
    2-methyl-cyclohexyl acetate 23.3
    tetrabutyl urea 21.42
    diisobutyl methanol 8.95
    2-phenylethanol 25.84
    styrene 7.31
    dioctyl adipate 18.99
    dimethyl sulfate 29.93
    ethyl butyrate 16.87
    methyl lactate 20.88
    butyl lactate 17.52
    diethyl carbonate 18.41
    propanediol butyl ether 26.94
    triethyl orthoformate 16.79
    p-tert-butyltoluene 8.45
    methyl 4-tert-butylbenzoate 30.88
    morpholine 61.33
    tert-butylamine 15.51
    n-dodecanol 8.21
    dimethoxymethane 30.31
    ethylene carbonate 46.0
    cyrene 49.78
    2-ethoxyethyl acetate 19.53
    2-ethylhexyl acetate 15.04
    1,2,4-trichlorobenzene 37.02
    4-methylpyridine 42.93
    dibutyl ether 10.15
    2,6-dimethyl-4-heptanol 8.95
    DEF 31.93
    dimethyl isosorbide 68.15
    tetrachloroethylene 34.18
    eugenol 33.69
    triacetin 27.76
    span 80 32.29
    1,4-butanediol 16.74
    1,1-dichloroethane 19.82
    2-methyl-1-pentanol 17.59
    methyl formate 45.24
    2-methyl-1-butanol 18.53
    n-decane 1.55
    butyronitrile 26.95
    3,7-dimethyl-1-octanol 13.9
    1-chlorooctane 6.05
    1-chlorotetradecane 3.29
    n-nonane 1.34
    undecane 1.29
    tert-butylcyclohexane 2.13
    cyclooctane 0.83
    cyclopentanol 37.53
    tetrahydropyran 29.08
    tert-amyl methyl ether 10.05
    2,5,8-trioxanonane 64.75
    1-hexene 3.85
    2-isopropoxyethanol 18.29
    2,2,2-trifluoroethanol 43.73
    methyl butyrate 19.14

    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