1-(Pyrazin-2-yl)propan-2-one

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  • Identifiers

    CAS number
    6784-62-9

    Molecular formula
    C7H8N2O

    SMILES
    CC(=O)CC1=NC=CN=C1

  • Odor profile

    Fragrance
    Nutty 79.49%
    Roasted 73.41%
    Popcorn 54.39%
    Burnt 48.67%
    Hazelnut 48.08%
    Coffee 44.0%
    Meaty 42.78%
    Caramellic 41.81%
    Earthy 37.97%
    Musty 34.59%

     

    Flavor
    Nutty 56.36%
    Roasted 42.8%
    Popcorn 38.11%
    Coffee 36.53%
    Roast 36.5%
    Musty 33.83%
    Earthy 32.6%
    Hazelnut 31.08%
    Vegetable 30.96%
    Cocoa 30.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    3.71 (weak acid)

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    268°C

    Flash point

    • 122.67 ˚C est.

  • Synonyms

    • 1-(pyrazin-2-yl)propan-2-one
    • 6784-62-9
    • 1-pyrazin-2-ylpropan-2-one
    • 1-PYRAZIN-2-YL-PROPAN-2-ONE
    • 1-pyrazin-2-ylacetone
    • Pyrazine, acetonyl
    • Acetonylprazine
    • MFCD08572186
    • 1-(2-Pyrazinyl)acetone
    • methyl pyrazylmethyl ketone
    • 2-Propanone, 1-pyrazinyl-
    • SCHEMBL4086758
    • DTXSID10334909
    • HKVMSCXHSSBGRU-UHFFFAOYSA-N
    • ALBB-018085
    • AKOS003237456
    • AS-50575
    • 1-pyrazin-2-yl-propan-2-one, AldrichCPR
    • DB-013472
    • CS-0005365
    • EN300-212080
    • P10609
    • Z1098219337

  • Applications

    1-(Pyrazin-2-yl)propan-2-one, CAS 6784-62-9, primarily functions as an organic synthesis intermediate that enables access to pyrazine-containing heterocycles for pharmaceutical research and development; it is also used as a building block in agrochemical discovery to support heterocyclic scaffolds. In fragrance chemistry, the compound may serve as an odorant precursor or fragrance intermediate linked to pyrazine notes. Additionally, it can be employed as a synthetic building block in general chemical process development and industrial manufacturing to introduce a pyrazine-aryl ketone functionality into larger molecules.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 104.1
    methanol 225.87
    isopropanol 53.99
    water 134.16
    ethyl acetate 45.46
    n-propanol 61.43
    acetone 65.76
    n-butanol 43.8
    acetonitrile 92.65
    DMF 409.02
    toluene 25.7
    isobutanol 44.62
    1,4-dioxane 110.35
    methyl acetate 60.29
    THF 88.9
    2-butanone 43.65
    n-pentanol 29.58
    sec-butanol 35.95
    n-hexane 2.22
    ethylene glycol 131.42
    NMP 301.33
    cyclohexane 5.65
    DMSO 237.35
    n-butyl acetate 19.04
    n-octanol 19.9
    chloroform 86.56
    n-propyl acetate 18.32
    acetic acid 134.04
    dichloromethane 101.14
    cyclohexanone 68.9
    propylene glycol 87.27
    isopropyl acetate 19.48
    DMAc 403.91
    2-ethoxyethanol 75.68
    isopentanol 30.43
    n-heptane 4.13
    ethyl formate 54.78
    1,2-dichloroethane 41.9
    n-hexanol 30.67
    2-methoxyethanol 183.68
    isobutyl acetate 12.42
    tetrachloromethane 14.35
    n-pentyl acetate 12.63
    transcutol 152.26
    n-heptanol 14.96
    ethylbenzene 13.06
    MIBK 17.7
    2-propoxyethanol 79.26
    tert-butanol 48.37
    MTBE 18.74
    2-butoxyethanol 36.57
    propionic acid 89.9
    o-xylene 28.3
    formic acid 182.22
    diethyl ether 23.15
    m-xylene 21.72
    p-xylene 19.13
    chlorobenzene 30.26
    dimethyl carbonate 40.48
    n-octane 1.47
    formamide 159.48
    cyclopentanone 76.92
    2-pentanone 27.74
    anisole 35.13
    cyclopentyl methyl ether 43.38
    gamma-butyrolactone 112.97
    1-methoxy-2-propanol 104.96
    pyridine 83.63
    3-pentanone 31.43
    furfural 159.01
    n-dodecane 1.84
    diethylene glycol 116.39
    diisopropyl ether 6.05
    tert-amyl alcohol 36.25
    acetylacetone 41.6
    n-hexadecane 2.0
    acetophenone 40.32
    methyl propionate 59.61
    isopentyl acetate 16.5
    trichloroethylene 81.28
    n-nonanol 17.96
    cyclohexanol 44.07
    benzyl alcohol 45.27
    2-ethylhexanol 18.48
    isooctanol 12.02
    dipropyl ether 20.29
    1,2-dichlorobenzene 34.45
    ethyl lactate 32.75
    propylene carbonate 65.7
    n-methylformamide 178.61
    2-pentanol 20.18
    n-pentane 2.71
    1-propoxy-2-propanol 46.99
    1-methoxy-2-propyl acetate 37.3
    2-(2-methoxypropoxy) propanol 58.04
    mesitylene 12.21
    ε-caprolactone 65.12
    p-cymene 13.29
    epichlorohydrin 85.62
    1,1,1-trichloroethane 33.86
    2-aminoethanol 132.52
    morpholine-4-carbaldehyde 253.03
    sulfolane 135.8
    2,2,4-trimethylpentane 2.24
    2-methyltetrahydrofuran 52.79
    n-hexyl acetate 22.07
    isooctane 1.21
    2-(2-butoxyethoxy)ethanol 65.67
    sec-butyl acetate 11.88
    tert-butyl acetate 16.95
    decalin 3.63
    glycerin 151.51
    diglyme 105.42
    acrylic acid 112.47
    isopropyl myristate 11.82
    n-butyric acid 65.21
    acetyl acetate 35.98
    di(2-ethylhexyl) phthalate 23.1
    ethyl propionate 25.62
    nitromethane 172.21
    1,2-diethoxyethane 27.59
    benzonitrile 51.06
    trioctyl phosphate 13.71
    1-bromopropane 23.06
    gamma-valerolactone 133.65
    n-decanol 14.42
    triethyl phosphate 20.57
    4-methyl-2-pentanol 12.5
    propionitrile 58.27
    vinylene carbonate 81.8
    1,1,2-trichlorotrifluoroethane 129.31
    DMS 35.03
    cumene 12.08
    2-octanol 9.05
    2-hexanone 17.64
    octyl acetate 16.85
    limonene 17.99
    1,2-dimethoxyethane 104.76
    ethyl orthosilicate 18.38
    tributyl phosphate 16.51
    diacetone alcohol 35.06
    N,N-dimethylaniline 39.69
    acrylonitrile 91.51
    aniline 51.94
    1,3-propanediol 95.55
    bromobenzene 24.06
    dibromomethane 50.98
    1,1,2,2-tetrachloroethane 67.09
    2-methyl-cyclohexyl acetate 22.62
    tetrabutyl urea 27.72
    diisobutyl methanol 11.54
    2-phenylethanol 35.9
    styrene 15.78
    dioctyl adipate 23.06
    dimethyl sulfate 76.44
    ethyl butyrate 22.51
    methyl lactate 70.31
    butyl lactate 23.21
    diethyl carbonate 22.34
    propanediol butyl ether 47.31
    triethyl orthoformate 21.19
    p-tert-butyltoluene 11.75
    methyl 4-tert-butylbenzoate 40.04
    morpholine 120.13
    tert-butylamine 28.49
    n-dodecanol 12.17
    dimethoxymethane 106.11
    ethylene carbonate 58.24
    cyrene 68.95
    2-ethoxyethyl acetate 23.85
    2-ethylhexyl acetate 14.28
    1,2,4-trichlorobenzene 44.84
    4-methylpyridine 78.58
    dibutyl ether 14.23
    2,6-dimethyl-4-heptanol 11.54
    DEF 92.49
    dimethyl isosorbide 78.38
    tetrachloroethylene 46.44
    eugenol 47.34
    triacetin 38.24
    span 80 43.81
    1,4-butanediol 49.39
    1,1-dichloroethane 36.0
    2-methyl-1-pentanol 24.61
    methyl formate 121.61
    2-methyl-1-butanol 34.23
    n-decane 2.46
    butyronitrile 46.9
    3,7-dimethyl-1-octanol 18.71
    1-chlorooctane 8.86
    1-chlorotetradecane 5.3
    n-nonane 2.23
    undecane 2.07
    tert-butylcyclohexane 3.15
    cyclooctane 2.18
    cyclopentanol 56.17
    tetrahydropyran 48.93
    tert-amyl methyl ether 19.42
    2,5,8-trioxanonane 97.34
    1-hexene 8.15
    2-isopropoxyethanol 40.23
    2,2,2-trifluoroethanol 84.57
    methyl butyrate 33.05

    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