Ethanone, 1-(5,6-dimethylpyrazinyl)-

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  • Identifiers

    CAS number
    54300-10-6

    Molecular formula
    C8H10N2O

    SMILES
    CC1=NC=C(N=C1C)C(=O)C

  • Odor profile

    Fragrance
    Nutty 78.35%
    Roasted 73.68%
    Popcorn 59.34%
    Hazelnut 57.3%
    Earthy 51.8%
    Cocoa 48.58%
    Musty 48.51%
    Burnt 45.59%
    Coffee 44.37%
    Potato 43.76%

     

    Flavor
    Nutty 69.02%
    Roasted 55.66%
    Popcorn 55.02%
    Roast 48.28%
    Hazelnut 46.86%
    Corn 46.51%
    Cocoa 46.04%
    Burnt 43.81%
    Musty 42.89%
    Coffee 41.98%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    4.88 (weak acid)

    Molecular weight
    150.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point

    • 107.87 ˚C est.

  • Synonyms

    • 1-(5,6-Dimethylpyrazin-2-yl)ethanone
    • 54300-10-6
    • Ethanone, 1-(5,6-dimethylpyrazinyl)-
    • 1-(5,6-Dimethylpyrazin-2-yl)ethan-1-one
    • HT6J2R5RAY
    • 2-Acetyl-5,6-dimethylpyrazin
    • 5-Acetyl-2,3-dimethylpyrazine
    • SCHEMBL12606645
    • 5-acetyl-2,3-dimethyl pyrazine
    • DTXSID80698388
    • PHIMZXOSIVXOQK-UHFFFAOYSA-N
    • AKOS016002327
    • AB21776
    • 1-(5,6-Dimethyl-2-pyrazinyl)ethanone
    • BS-17545
    • DB-326294
    • Ethanone, 1-(5,6-dimethyl-2-pyrazinyl)-
    • NS00124346
    • D82539

  • Applications

    Ethanone, 1-(5,6-dimethylpyrazinyl)- (CAS 54300-10-6) can serve as an organic-synthesis intermediate, frequently used as a building block in the preparation of pharmaceutical and agrochemical active ingredients. It is also used as a fragrance/aroma intermediate in fragrance and flavor chemistry, deriving from the 5,6-dimethylpyrazinyl motif to contribute nutty or roasted notes in formulations. In addition, it can function as a precursor for specialty polymers and materials, including coatings and adhesives, and may be explored for electronics-related materials such as organic semiconductor architectures. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 123.05
    methanol 195.07
    isopropanol 104.0
    water 16.15
    ethyl acetate 84.54
    n-propanol 109.4
    acetone 125.91
    n-butanol 80.72
    acetonitrile 131.78
    DMF 303.94
    toluene 74.78
    isobutanol 96.34
    1,4-dioxane 197.01
    methyl acetate 129.2
    THF 213.89
    2-butanone 118.15
    n-pentanol 57.27
    sec-butanol 97.21
    n-hexane 7.2
    ethylene glycol 65.35
    NMP 309.74
    cyclohexane 16.78
    DMSO 222.38
    n-butyl acetate 58.75
    n-octanol 44.04
    chloroform 329.8
    n-propyl acetate 42.85
    acetic acid 106.87
    dichloromethane 382.43
    cyclohexanone 183.54
    propylene glycol 62.34
    isopropyl acetate 44.51
    DMAc 344.51
    2-ethoxyethanol 81.23
    isopentanol 66.04
    n-heptane 8.39
    ethyl formate 129.03
    1,2-dichloroethane 171.46
    n-hexanol 60.92
    2-methoxyethanol 180.19
    isobutyl acetate 30.64
    tetrachloromethane 68.84
    n-pentyl acetate 46.91
    transcutol 118.14
    n-heptanol 40.84
    ethylbenzene 50.15
    MIBK 41.96
    2-propoxyethanol 96.28
    tert-butanol 109.19
    MTBE 64.9
    2-butoxyethanol 64.88
    propionic acid 107.63
    o-xylene 78.94
    formic acid 91.43
    diethyl ether 51.84
    m-xylene 54.69
    p-xylene 78.18
    chlorobenzene 111.57
    dimethyl carbonate 49.58
    n-octane 5.9
    formamide 129.64
    cyclopentanone 208.21
    2-pentanone 66.65
    anisole 84.37
    cyclopentyl methyl ether 81.66
    gamma-butyrolactone 260.82
    1-methoxy-2-propanol 105.38
    pyridine 193.02
    3-pentanone 68.22
    furfural 280.79
    n-dodecane 5.77
    diethylene glycol 89.79
    diisopropyl ether 17.2
    tert-amyl alcohol 99.15
    acetylacetone 88.11
    n-hexadecane 6.53
    acetophenone 89.59
    methyl propionate 95.25
    isopentyl acetate 54.87
    trichloroethylene 321.78
    n-nonanol 39.5
    cyclohexanol 93.48
    benzyl alcohol 83.95
    2-ethylhexanol 44.71
    isooctanol 35.85
    dipropyl ether 32.34
    1,2-dichlorobenzene 115.96
    ethyl lactate 38.32
    propylene carbonate 146.49
    n-methylformamide 171.99
    2-pentanol 49.09
    n-pentane 7.87
    1-propoxy-2-propanol 64.63
    1-methoxy-2-propyl acetate 62.86
    2-(2-methoxypropoxy) propanol 68.01
    mesitylene 32.44
    ε-caprolactone 159.72
    p-cymene 37.26
    epichlorohydrin 246.28
    1,1,1-trichloroethane 161.72
    2-aminoethanol 93.27
    morpholine-4-carbaldehyde 257.89
    sulfolane 267.39
    2,2,4-trimethylpentane 7.82
    2-methyltetrahydrofuran 155.83
    n-hexyl acetate 64.52
    isooctane 3.84
    2-(2-butoxyethoxy)ethanol 75.02
    sec-butyl acetate 29.79
    tert-butyl acetate 44.66
    decalin 11.62
    glycerin 85.42
    diglyme 133.98
    acrylic acid 102.74
    isopropyl myristate 28.1
    n-butyric acid 106.61
    acetyl acetate 59.98
    di(2-ethylhexyl) phthalate 40.17
    ethyl propionate 47.85
    nitromethane 195.67
    1,2-diethoxyethane 51.2
    benzonitrile 113.49
    trioctyl phosphate 28.23
    1-bromopropane 88.44
    gamma-valerolactone 253.47
    n-decanol 31.23
    triethyl phosphate 40.08
    4-methyl-2-pentanol 29.9
    propionitrile 106.7
    vinylene carbonate 164.83
    1,1,2-trichlorotrifluoroethane 182.04
    DMS 70.46
    cumene 38.98
    2-octanol 33.21
    2-hexanone 49.25
    octyl acetate 38.05
    limonene 46.68
    1,2-dimethoxyethane 148.27
    ethyl orthosilicate 35.88
    tributyl phosphate 33.08
    diacetone alcohol 64.13
    N,N-dimethylaniline 75.72
    acrylonitrile 140.67
    aniline 99.39
    1,3-propanediol 102.72
    bromobenzene 107.48
    dibromomethane 220.42
    1,1,2,2-tetrachloroethane 243.07
    2-methyl-cyclohexyl acetate 51.45
    tetrabutyl urea 46.14
    diisobutyl methanol 26.54
    2-phenylethanol 78.04
    styrene 54.24
    dioctyl adipate 43.8
    dimethyl sulfate 97.52
    ethyl butyrate 51.15
    methyl lactate 65.46
    butyl lactate 45.11
    diethyl carbonate 48.11
    propanediol butyl ether 61.34
    triethyl orthoformate 41.34
    p-tert-butyltoluene 33.91
    methyl 4-tert-butylbenzoate 77.63
    morpholine 182.8
    tert-butylamine 69.45
    n-dodecanol 24.62
    dimethoxymethane 124.19
    ethylene carbonate 126.96
    cyrene 90.02
    2-ethoxyethyl acetate 63.3
    2-ethylhexyl acetate 46.24
    1,2,4-trichlorobenzene 135.0
    4-methylpyridine 187.42
    dibutyl ether 37.7
    2,6-dimethyl-4-heptanol 26.54
    DEF 121.2
    dimethyl isosorbide 122.24
    tetrachloroethylene 169.17
    eugenol 78.86
    triacetin 62.14
    span 80 60.19
    1,4-butanediol 49.06
    1,1-dichloroethane 167.35
    2-methyl-1-pentanol 55.42
    methyl formate 154.86
    2-methyl-1-butanol 74.1
    n-decane 8.48
    butyronitrile 95.53
    3,7-dimethyl-1-octanol 41.28
    1-chlorooctane 29.61
    1-chlorotetradecane 14.57
    n-nonane 7.91
    undecane 6.83
    tert-butylcyclohexane 10.6
    cyclooctane 5.3
    cyclopentanol 128.98
    tetrahydropyran 128.07
    tert-amyl methyl ether 57.2
    2,5,8-trioxanonane 104.5
    1-hexene 27.55
    2-isopropoxyethanol 56.33
    2,2,2-trifluoroethanol 74.41
    methyl butyrate 73.11

    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