1-(3,5-Dimethylpyrazin-2-yl)ethanone;1-(3,6-dimethylpyrazin-2-yl)ethanone

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  • Identifiers

    CAS number
    72797-17-2

    Molecular formula
    C16H20N4O2

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

    Safety labels

  • Odor profile

    Fragrance
    Nutty 75.19%
    Roasted 75.1%
    Popcorn 60.05%
    Hazelnut 58.43%
    Earthy 48.13%
    Coffee 46.57%
    Burnt 46.16%
    Cocoa 45.1%
    Musty 43.47%
    Caramellic 42.86%

     

    Flavor
    Nutty 64.45%
    Roasted 58.14%
    Popcorn 50.75%
    Hazelnut 45.67%
    Roast 45.63%
    Cocoa 44.96%
    Burnt 44.71%
    Corn 42.49%
    Earthy 42.32%
    Musty 41.6%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    4.8 (weak acid)

    Molecular weight
    300.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    246°C

    Flash point

    • 103.67 ˚C est.

  • Synonyms

    • 72797-17-2
    • 1-(3,5-Dimethylpyrazin-2-yl)ethanone;1-(3,6-dimethylpyrazin-2-yl)ethanone
    • 1-(3,5-Dimethylpyrazin-2-yl)ethanone compound with 1-(3,6-dimethylpyrazin-2-yl)ethanone
    • MFCD29036871
    • NDBQNZIIKYINBV-UHFFFAOYSA-N
    • AKOS030524636
    • DS-19252
    • E76839
    • 72797-17-2

  • Applications

    1-(3,5-Dimethylpyrazin-2-yl)ethanone;1-(3,6-dimethylpyrazin-2-yl)ethanone (CAS 72797-17-2) is an organic intermediate containing a pyrazine ring and a ketone group, commonly used as a building block in the synthesis of pyrazine-containing compounds for functional organic molecules. In pharmaceuticals, it is considered a scaffold for preparing pyrazine-derived and other heterocyclic motifs used in drug discovery. In agriculture, it may serve as a precursor for pyrazine-based bioactive compounds under development for pest management. In fragrance and flavor, pyrazine derivatives have characteristic aroma notes, so this ketone can function as a precursor or intermediate in the synthesis of fragrance ingredients. In materials science and electronics, it can act as a precursor to pyrazine-containing compounds for organic semiconductors and related polymers. Additionally, as an aryl ketone pyrazine building block, it supports synthesis routes for specialty polymers and functional materials used in various industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 160.34
    methanol 272.27
    isopropanol 135.08
    water 9.85
    ethyl acetate 241.87
    n-propanol 152.35
    acetone 268.64
    n-butanol 137.9
    acetonitrile 173.99
    DMF 495.51
    toluene 121.86
    isobutanol 128.01
    1,4-dioxane 382.65
    methyl acetate 228.6
    THF 408.49
    2-butanone 238.72
    n-pentanol 96.21
    sec-butanol 144.47
    n-hexane 25.47
    ethylene glycol 100.72
    NMP 442.7
    cyclohexane 25.09
    DMSO 394.33
    n-butyl acetate 123.08
    n-octanol 78.31
    chloroform 462.9
    n-propyl acetate 103.4
    acetic acid 174.62
    dichloromethane 499.1
    cyclohexanone 313.15
    propylene glycol 95.07
    isopropyl acetate 126.87
    DMAc 505.98
    2-ethoxyethanol 168.56
    isopentanol 116.63
    n-heptane 17.21
    ethyl formate 185.29
    1,2-dichloroethane 298.62
    n-hexanol 113.52
    2-methoxyethanol 346.15
    isobutyl acetate 70.03
    tetrachloromethane 88.25
    n-pentyl acetate 94.73
    transcutol 228.92
    n-heptanol 63.18
    ethylbenzene 77.77
    MIBK 118.85
    2-propoxyethanol 200.96
    tert-butanol 149.79
    MTBE 157.95
    2-butoxyethanol 109.28
    propionic acid 155.73
    o-xylene 100.11
    formic acid 111.94
    diethyl ether 165.83
    m-xylene 100.65
    p-xylene 103.5
    chlorobenzene 169.8
    dimethyl carbonate 124.24
    n-octane 10.95
    formamide 114.12
    cyclopentanone 365.92
    2-pentanone 191.87
    anisole 143.63
    cyclopentyl methyl ether 232.5
    gamma-butyrolactone 421.74
    1-methoxy-2-propanol 246.09
    pyridine 220.83
    3-pentanone 184.28
    furfural 398.43
    n-dodecane 10.47
    diethylene glycol 188.0
    diisopropyl ether 55.0
    tert-amyl alcohol 148.83
    acetylacetone 238.72
    n-hexadecane 11.91
    acetophenone 141.9
    methyl propionate 222.42
    isopentyl acetate 106.04
    trichloroethylene 477.71
    n-nonanol 64.32
    cyclohexanol 153.59
    benzyl alcohol 126.81
    2-ethylhexanol 77.2
    isooctanol 54.46
    dipropyl ether 77.49
    1,2-dichlorobenzene 177.55
    ethyl lactate 86.59
    propylene carbonate 231.93
    n-methylformamide 228.8
    2-pentanol 100.92
    n-pentane 21.48
    1-propoxy-2-propanol 128.07
    1-methoxy-2-propyl acetate 137.37
    2-(2-methoxypropoxy) propanol 98.54
    mesitylene 65.56
    ε-caprolactone 272.96
    p-cymene 51.74
    epichlorohydrin 418.05
    1,1,1-trichloroethane 251.28
    2-aminoethanol 124.33
    morpholine-4-carbaldehyde 421.45
    sulfolane 458.39
    2,2,4-trimethylpentane 18.35
    2-methyltetrahydrofuran 306.31
    n-hexyl acetate 134.08
    isooctane 12.46
    2-(2-butoxyethoxy)ethanol 117.78
    sec-butyl acetate 77.19
    tert-butyl acetate 122.45
    decalin 24.9
    glycerin 152.64
    diglyme 230.88
    acrylic acid 152.05
    isopropyl myristate 50.73
    n-butyric acid 178.68
    acetyl acetate 156.57
    di(2-ethylhexyl) phthalate 59.22
    ethyl propionate 124.95
    nitromethane 330.35
    1,2-diethoxyethane 108.88
    benzonitrile 165.34
    trioctyl phosphate 46.52
    1-bromopropane 175.71
    gamma-valerolactone 427.19
    n-decanol 48.94
    triethyl phosphate 63.17
    4-methyl-2-pentanol 63.91
    propionitrile 154.16
    vinylene carbonate 244.39
    1,1,2-trichlorotrifluoroethane 279.34
    DMS 143.0
    cumene 58.39
    2-octanol 57.54
    2-hexanone 114.87
    octyl acetate 68.49
    limonene 69.63
    1,2-dimethoxyethane 280.71
    ethyl orthosilicate 59.2
    tributyl phosphate 54.49
    diacetone alcohol 138.52
    N,N-dimethylaniline 112.12
    acrylonitrile 196.51
    aniline 136.55
    1,3-propanediol 171.59
    bromobenzene 175.95
    dibromomethane 325.95
    1,1,2,2-tetrachloroethane 389.69
    2-methyl-cyclohexyl acetate 81.28
    tetrabutyl urea 70.82
    diisobutyl methanol 47.24
    2-phenylethanol 114.36
    styrene 85.28
    dioctyl adipate 69.42
    dimethyl sulfate 222.47
    ethyl butyrate 94.33
    methyl lactate 133.94
    butyl lactate 76.06
    diethyl carbonate 71.88
    propanediol butyl ether 109.46
    triethyl orthoformate 71.54
    p-tert-butyltoluene 51.21
    methyl 4-tert-butylbenzoate 109.79
    morpholine 325.18
    tert-butylamine 94.41
    n-dodecanol 38.42
    dimethoxymethane 299.87
    ethylene carbonate 203.72
    cyrene 130.4
    2-ethoxyethyl acetate 123.5
    2-ethylhexyl acetate 88.56
    1,2,4-trichlorobenzene 198.37
    4-methylpyridine 267.15
    dibutyl ether 76.41
    2,6-dimethyl-4-heptanol 47.24
    DEF 279.38
    dimethyl isosorbide 178.34
    tetrachloroethylene 270.25
    eugenol 116.45
    triacetin 107.56
    span 80 82.61
    1,4-butanediol 82.35
    1,1-dichloroethane 266.42
    2-methyl-1-pentanol 97.39
    methyl formate 241.19
    2-methyl-1-butanol 129.74
    n-decane 16.07
    butyronitrile 161.84
    3,7-dimethyl-1-octanol 67.87
    1-chlorooctane 61.48
    1-chlorotetradecane 26.6
    n-nonane 16.2
    undecane 12.66
    tert-butylcyclohexane 25.11
    cyclooctane 12.05
    cyclopentanol 177.85
    tetrahydropyran 252.07
    tert-amyl methyl ether 150.95
    2,5,8-trioxanonane 150.84
    1-hexene 67.88
    2-isopropoxyethanol 111.23
    2,2,2-trifluoroethanol 110.05
    methyl butyrate 158.91

    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