2-Acetyl-3,(5 or 6)-dimethylpyrazine

  • Identifiers

    Molecular formula
    C8H11N2O+

    SMILES
    CC1=C[N+](=CC(=N1)C)C(=O)C

  • Odor profile

    Fragrance
    Roasted 72.24%
    Nutty 69.86%
    Hazelnut 52.24%
    Popcorn 50.83%
    Burnt 45.19%
    Earthy 41.35%
    Coffee 40.79%
    Musty 40.72%
    Cocoa 38.4%
    Meaty 38.19%

     

    Flavor
    Nutty 38.08%
    Cocoa 32.87%
    Roasted 32.02%
    Musty 31.99%
    Woody 29.33%
    Burnt 28.83%
    Sweet 28.66%
    Popcorn 27.55%
    Phenolic 25.52%
    Powdery 25.09%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    5.7 (weak acid)

    Molecular weight
    151.19 g/mol

    Flash point

    • 98.62 ˚C est.

    Solubility expt.

    • soluble in water, organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • EINECS 276-848-2
    • UNII-O16657H2TP
    • O16657H2TP
    • Ethanone, 1-(3,?-dimethylpyrazinyl)-
    • 2-Acetyl-3,(5 or 6)-dimethylpyrazine
    • Ethanone, 1-(3,?-dimethyl-2-pyrazinyl)-
    • SCHEMBL3508538
  • Applications

    2-Acetyl-3,(5 or 6)-dimethylpyrazine is primarily used as an aroma and flavor agent, commonly evaluated in fragrance and flavor applications to impart roasted, nutty, or coffee-like notes; it is also used as a component in cosmetics and personal care products as an aroma ingredient, and may serve as an intermediate in organic synthesis for the preparation of other pyrazine derivatives; additionally, in some industrial formulations it can act as an odorant or aroma booster for household products or coatings, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 180.35
    methanol 351.68
    isopropanol 126.49
    water 30.82
    ethyl acetate 100.78
    n-propanol 150.29
    acetone 118.47
    n-butanol 129.17
    acetonitrile 89.57
    DMF 330.56
    toluene 56.06
    isobutanol 115.51
    1,4-dioxane 177.58
    methyl acetate 111.94
    THF 186.75
    2-butanone 117.86
    n-pentanol 80.25
    sec-butanol 125.73
    n-hexane 10.73
    ethylene glycol 125.64
    NMP 287.49
    cyclohexane 7.8
    DMSO 272.82
    n-butyl acetate 59.17
    n-octanol 48.86
    chloroform 226.44
    n-propyl acetate 41.84
    acetic acid 101.27
    dichloromethane 264.14
    cyclohexanone 139.55
    propylene glycol 108.12
    isopropyl acetate 53.35
    DMAc 374.86
    2-ethoxyethanol 142.4
    isopentanol 96.66
    n-heptane 7.67
    ethyl formate 112.17
    1,2-dichloroethane 134.11
    n-hexanol 86.24
    2-methoxyethanol 311.63
    isobutyl acetate 32.87
    tetrachloromethane 42.31
    n-pentyl acetate 46.89
    transcutol 152.32
    n-heptanol 44.19
    ethylbenzene 33.19
    MIBK 58.42
    2-propoxyethanol 173.79
    tert-butanol 116.88
    MTBE 94.27
    2-butoxyethanol 83.69
    propionic acid 99.07
    o-xylene 48.34
    formic acid 134.87
    diethyl ether 83.26
    m-xylene 47.08
    p-xylene 44.25
    chlorobenzene 76.71
    dimethyl carbonate 57.37
    n-octane 4.56
    formamide 101.65
    cyclopentanone 162.29
    2-pentanone 87.62
    anisole 72.69
    cyclopentyl methyl ether 99.79
    gamma-butyrolactone 190.06
    1-methoxy-2-propanol 194.92
    pyridine 111.91
    3-pentanone 76.95
    furfural 238.32
    n-dodecane 4.67
    diethylene glycol 175.45
    diisopropyl ether 24.6
    tert-amyl alcohol 113.93
    acetylacetone 98.35
    n-hexadecane 5.19
    acetophenone 69.27
    methyl propionate 102.34
    isopentyl acetate 57.11
    trichloroethylene 207.89
    n-nonanol 40.26
    cyclohexanol 89.0
    benzyl alcohol 76.89
    2-ethylhexanol 49.32
    isooctanol 36.91
    dipropyl ether 38.39
    1,2-dichlorobenzene 81.83
    ethyl lactate 50.4
    propylene carbonate 115.54
    n-methylformamide 175.06
    2-pentanol 71.27
    n-pentane 10.34
    1-propoxy-2-propanol 96.61
    1-methoxy-2-propyl acetate 75.46
    2-(2-methoxypropoxy) propanol 72.07
    mesitylene 29.09
    ε-caprolactone 137.97
    p-cymene 28.7
    epichlorohydrin 209.91
    1,1,1-trichloroethane 97.88
    2-aminoethanol 161.61
    morpholine-4-carbaldehyde 274.77
    sulfolane 233.55
    2,2,4-trimethylpentane 8.93
    2-methyltetrahydrofuran 148.3
    n-hexyl acetate 66.24
    isooctane 5.25
    2-(2-butoxyethoxy)ethanol 82.38
    sec-butyl acetate 33.66
    tert-butyl acetate 52.43
    decalin 10.11
    glycerin 174.95
    diglyme 146.42
    acrylic acid 93.68
    isopropyl myristate 25.6
    n-butyric acid 114.28
    acetyl acetate 59.7
    di(2-ethylhexyl) phthalate 38.85
    ethyl propionate 51.65
    nitromethane 157.52
    1,2-diethoxyethane 60.23
    benzonitrile 88.9
    trioctyl phosphate 27.14
    1-bromopropane 87.49
    gamma-valerolactone 232.16
    n-decanol 30.24
    triethyl phosphate 35.32
    4-methyl-2-pentanol 40.91
    propionitrile 93.87
    vinylene carbonate 126.47
    1,1,2-trichlorotrifluoroethane 181.3
    DMS 66.77
    cumene 28.08
    2-octanol 34.32
    2-hexanone 51.77
    octyl acetate 35.85
    limonene 36.84
    1,2-dimethoxyethane 182.61
    ethyl orthosilicate 34.52
    tributyl phosphate 30.91
    diacetone alcohol 83.52
    N,N-dimethylaniline 61.18
    acrylonitrile 116.9
    aniline 82.57
    1,3-propanediol 174.02
    bromobenzene 72.82
    dibromomethane 164.59
    1,1,2,2-tetrachloroethane 174.43
    2-methyl-cyclohexyl acetate 44.4
    tetrabutyl urea 42.85
    diisobutyl methanol 28.16
    2-phenylethanol 71.87
    styrene 35.99
    dioctyl adipate 36.85
    dimethyl sulfate 109.71
    ethyl butyrate 43.5
    methyl lactate 84.97
    butyl lactate 48.48
    diethyl carbonate 36.34
    propanediol butyl ether 81.53
    triethyl orthoformate 38.1
    p-tert-butyltoluene 28.22
    methyl 4-tert-butylbenzoate 66.18
    morpholine 181.37
    tert-butylamine 72.82
    n-dodecanol 23.24
    dimethoxymethane 171.02
    ethylene carbonate 100.08
    cyrene 88.17
    2-ethoxyethyl acetate 63.37
    2-ethylhexyl acetate 46.77
    1,2,4-trichlorobenzene 95.66
    4-methylpyridine 138.72
    dibutyl ether 36.86
    2,6-dimethyl-4-heptanol 28.16
    DEF 144.3
    dimethyl isosorbide 111.9
    tetrachloroethylene 120.88
    eugenol 74.48
    triacetin 53.07
    span 80 56.73
    1,4-butanediol 82.54
    1,1-dichloroethane 122.2
    2-methyl-1-pentanol 74.37
    methyl formate 147.17
    2-methyl-1-butanol 111.28
    n-decane 7.24
    butyronitrile 97.66
    3,7-dimethyl-1-octanol 44.75
    1-chlorooctane 27.46
    1-chlorotetradecane 12.5
    n-nonane 7.21
    undecane 5.67
    tert-butylcyclohexane 10.79
    cyclooctane 3.9
    cyclopentanol 105.25
    tetrahydropyran 108.89
    tert-amyl methyl ether 84.94
    2,5,8-trioxanonane 103.44
    1-hexene 31.65
    2-isopropoxyethanol 83.93
    2,2,2-trifluoroethanol 74.77
    methyl butyrate 67.62

    Scent© AI

1 of 4
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