1-(6-Ethylpyrazin-2-yl)ethanone

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  • Identifiers

    CAS number
    34413-34-8

    Molecular formula
    C8H10N2O

    SMILES
    CCC1=CN=CC(=N1)C(=O)C

  • Odor profile

    Fragrance
    Nutty 79.44%
    Roasted 70.91%
    Popcorn 63.24%
    Hazelnut 53.99%
    Earthy 43.05%
    Potato 41.42%
    Musty 39.6%
    Coffee 39.41%
    Cocoa 39.32%
    Burnt 36.39%

     

    Flavor
    Nutty 65.27%
    Popcorn 54.48%
    Roasted 51.03%
    Roast 48.86%
    Potato 43.1%
    Corn 42.76%
    Hazelnut 41.73%
    Earthy 40.44%
    Coffee 37.58%
    Chip 37.43%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    5.04 (weak acid)

    Molecular weight
    150.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    234°C

    Flash point

    • 109.98 ˚C est.

  • Synonyms

    • 34413-34-8
    • 1-(6-ethylpyrazin-2-yl)ethanone
    • 2-acetyl-6-ethyl pyrazine
    • Pyrazine, 2-acetyl-6-ethyl
    • SCHEMBL15272578
    • Ethanone,1-(6-ethylpyrazinyl)-
    • DTXSID40698389
    • 1-(6-Ethylpyrazin-2-yl)ethan-1-one
    • NS00123806

  • Applications

    For the chemical 1-(6-Ethylpyrazin-2-yl)ethanone (CAS 34413-34-8), it is principally used as an intermediate in chemical synthesis, serving as a building block for heteroaryl compounds containing the pyrazine ring. In pharmaceutical development, it is commonly evaluated as a precursor for medicinal chemistry programs aiming to assemble heteroaryl drug candidates. In agrochemical research, it is also evaluated as an intermediate for designing heteroaromatic actives. In fragrance chemistry, it may be used or evaluated as an odorant or fragrance intermediate due to the characteristic pyrazine motif.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 71.38
    methanol 93.25
    isopropanol 54.58
    water 3.02
    ethyl acetate 55.32
    n-propanol 61.67
    acetone 92.75
    n-butanol 50.47
    acetonitrile 68.1
    DMF 296.62
    toluene 43.32
    isobutanol 58.48
    1,4-dioxane 100.7
    methyl acetate 74.25
    THF 123.37
    2-butanone 84.56
    n-pentanol 44.08
    sec-butanol 54.45
    n-hexane 2.79
    ethylene glycol 52.35
    NMP 293.97
    cyclohexane 8.83
    DMSO 256.7
    n-butyl acetate 50.76
    n-octanol 34.45
    chloroform 267.56
    n-propyl acetate 38.39
    acetic acid 113.77
    dichloromethane 337.97
    cyclohexanone 145.42
    propylene glycol 49.77
    isopropyl acetate 31.24
    DMAc 269.35
    2-ethoxyethanol 69.61
    isopentanol 47.32
    n-heptane 4.88
    ethyl formate 95.09
    1,2-dichloroethane 151.96
    n-hexanol 52.47
    2-methoxyethanol 132.79
    isobutyl acetate 28.02
    tetrachloromethane 35.86
    n-pentyl acetate 37.93
    transcutol 129.27
    n-heptanol 34.41
    ethylbenzene 33.2
    MIBK 35.8
    2-propoxyethanol 86.63
    tert-butanol 63.32
    MTBE 34.8
    2-butoxyethanol 57.94
    propionic acid 92.98
    o-xylene 49.88
    formic acid 62.26
    diethyl ether 23.55
    m-xylene 37.71
    p-xylene 50.91
    chlorobenzene 90.25
    dimethyl carbonate 39.38
    n-octane 3.13
    formamide 81.89
    cyclopentanone 167.24
    2-pentanone 49.47
    anisole 58.14
    cyclopentyl methyl ether 54.18
    gamma-butyrolactone 206.24
    1-methoxy-2-propanol 82.9
    pyridine 143.5
    3-pentanone 47.96
    furfural 267.96
    n-dodecane 3.83
    diethylene glycol 87.75
    diisopropyl ether 9.93
    tert-amyl alcohol 59.37
    acetylacetone 68.96
    n-hexadecane 4.35
    acetophenone 77.75
    methyl propionate 65.43
    isopentyl acetate 47.66
    trichloroethylene 321.74
    n-nonanol 30.4
    cyclohexanol 62.95
    benzyl alcohol 71.59
    2-ethylhexanol 39.51
    isooctanol 30.05
    dipropyl ether 22.56
    1,2-dichlorobenzene 104.64
    ethyl lactate 42.88
    propylene carbonate 134.75
    n-methylformamide 128.48
    2-pentanol 30.01
    n-pentane 3.0
    1-propoxy-2-propanol 57.73
    1-methoxy-2-propyl acetate 57.56
    2-(2-methoxypropoxy) propanol 66.05
    mesitylene 24.87
    ε-caprolactone 120.4
    p-cymene 33.44
    epichlorohydrin 201.16
    1,1,1-trichloroethane 110.07
    2-aminoethanol 70.39
    morpholine-4-carbaldehyde 207.6
    sulfolane 291.74
    2,2,4-trimethylpentane 4.72
    2-methyltetrahydrofuran 88.64
    n-hexyl acetate 54.28
    isooctane 2.92
    2-(2-butoxyethoxy)ethanol 72.86
    sec-butyl acetate 25.51
    tert-butyl acetate 33.49
    decalin 7.91
    glycerin 79.39
    diglyme 122.71
    acrylic acid 105.55
    isopropyl myristate 24.59
    n-butyric acid 88.52
    acetyl acetate 43.7
    di(2-ethylhexyl) phthalate 40.22
    ethyl propionate 36.77
    nitromethane 162.99
    1,2-diethoxyethane 40.0
    benzonitrile 105.49
    trioctyl phosphate 29.0
    1-bromopropane 61.31
    gamma-valerolactone 198.55
    n-decanol 25.05
    triethyl phosphate 36.75
    4-methyl-2-pentanol 23.36
    propionitrile 66.39
    vinylene carbonate 151.23
    1,1,2-trichlorotrifluoroethane 174.58
    DMS 60.43
    cumene 29.31
    2-octanol 25.15
    2-hexanone 41.0
    octyl acetate 33.63
    limonene 42.45
    1,2-dimethoxyethane 103.81
    ethyl orthosilicate 31.21
    tributyl phosphate 32.37
    diacetone alcohol 58.3
    N,N-dimethylaniline 55.56
    acrylonitrile 109.45
    aniline 68.4
    1,3-propanediol 73.25
    bromobenzene 93.84
    dibromomethane 183.72
    1,1,2,2-tetrachloroethane 236.65
    2-methyl-cyclohexyl acetate 49.65
    tetrabutyl urea 46.41
    diisobutyl methanol 22.25
    2-phenylethanol 71.61
    styrene 38.31
    dioctyl adipate 43.59
    dimethyl sulfate 89.11
    ethyl butyrate 44.58
    methyl lactate 62.43
    butyl lactate 44.9
    diethyl carbonate 43.97
    propanediol butyl ether 60.88
    triethyl orthoformate 34.94
    p-tert-butyltoluene 28.54
    methyl 4-tert-butylbenzoate 73.74
    morpholine 103.34
    tert-butylamine 37.38
    n-dodecanol 20.99
    dimethoxymethane 91.14
    ethylene carbonate 106.22
    cyrene 87.77
    2-ethoxyethyl acetate 51.87
    2-ethylhexyl acetate 39.23
    1,2,4-trichlorobenzene 128.67
    4-methylpyridine 133.09
    dibutyl ether 24.42
    2,6-dimethyl-4-heptanol 22.25
    DEF 101.54
    dimethyl isosorbide 106.97
    tetrachloroethylene 143.33
    eugenol 76.91
    triacetin 61.04
    span 80 60.97
    1,4-butanediol 41.62
    1,1-dichloroethane 119.24
    2-methyl-1-pentanol 46.45
    methyl formate 120.49
    2-methyl-1-butanol 52.05
    n-decane 5.1
    butyronitrile 66.62
    3,7-dimethyl-1-octanol 34.91
    1-chlorooctane 22.68
    1-chlorotetradecane 12.08
    n-nonane 4.42
    undecane 4.34
    tert-butylcyclohexane 7.27
    cyclooctane 3.02
    cyclopentanol 83.49
    tetrahydropyran 67.61
    tert-amyl methyl ether 34.0
    2,5,8-trioxanonane 100.97
    1-hexene 13.85
    2-isopropoxyethanol 48.43
    2,2,2-trifluoroethanol 59.13
    methyl butyrate 61.0

    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