2-Acetyl-3,5-dimethylpyrazine

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  • Identifiers

    CAS number
    54300-08-2

    Molecular formula
    C8H10N2O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 74.13%
    Nutty 73.69%
    Popcorn 58.0%
    Hazelnut 57.75%
    Coffee 45.86%
    Burnt 45.54%
    Earthy 44.94%
    Cocoa 43.49%
    Caramellic 42.01%
    Musty 41.89%

     

    Flavor
    Nutty 61.79%
    Roasted 57.27%
    Popcorn 46.89%
    Cocoa 45.27%
    Hazelnut 44.63%
    Roast 43.67%
    Earthy 43.54%
    Burnt 43.2%
    Musty 41.6%
    Potato 40.14%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    4.64 (weak acid)

    Molecular weight
    150.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 70.00 °C. @ 7.00 mm Hg

    Flash point

    • 113.19 ˚C est.

  • Synonyms

    • 2-Acetyl-3,5-dimethylpyrazine
    • 54300-08-2
    • 1-(3,5-dimethylpyrazin-2-yl)ethanone
    • Ethanone, 1-(3,5-dimethylpyrazinyl)-
    • 1-(3,5-dimethylpyrazin-2-yl)ethan-1-one
    • 1-(3,5-Dimethylpyrazinyl)ethan-1-one
    • UNII-RES1FSY5Z7
    • RES1FSY5Z7
    • EINECS 259-076-0
    • Ethanone, 1-(3,5-dimethyl-2-pyrazinyl)-
    • Pyrazine, 2-acetyl-3,5-dimethyl
    • MFCD00055023
    • 1-(3,5-Dimethyl-2-pyrazinyl)ethanone
    • 1-(3,5-Dimethyl-2-pyrazinyl)-1-ethanone
    • DTXSID1068938
    • 1-(3,5-Dimethylpyrazinyl)-Ethanone
    • FEMA NO. 3327, 5-METHYL-
    • 1-(3,5-Dimethyl-2-pyrazinyl)-Ethanone
    • 1-(3,5-Dimethylpyrazinyl)ethanone, 9CI
    • 2-Acetyl-3,5-dimethylpyrazine (contains 2-Acetyl-3,6-dimethylpyrazine)
    • SCHEMBL2491805
    • DTXCID2041676
    • CHEBI:173403
    • 1-(3,5-Dimethylpyrazinyl)ethanone
    • AKOS015900064
    • CS-W018142
    • 2-acetyl-3,5(or 6)-dimethyl pyrazine
    • AS-15962
    • SY107356
    • 1-(3,5-Dimethyl-2-pyrazinyl)ethanone #
    • DB-020323
    • A3326
    • NS00022346
    • D81742
    • EN300-174554
    • 1-(3,5-Dimethylpyrazin-2-yl)ethanone(High Purity)
    • Q27288078

  • Applications

    2-Acetyl-3,5-dimethylpyrazine is a pyrazine derivative with roasty, nutty aroma notes, used in fragrance applications as an odorant to provide roasted undertones and depth in perfumes and personal care products. In the flavor sector it is evaluated as a flavor/aroma ingredient to impart or accent roasted, coffee-like notes in foods and beverages, subject to regulatory limits. In cosmetics/personal care, it can be used as a fragrance component. In household products, it may be used to impart a pleasant aroma in cleaners, air fresheners, and detergents. In industrial manufacturing, it may serve as an intermediate or building block for synthesis of related fragrance or specialty aroma materials, depending on process needs and regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 190.2
    methanol 306.93
    isopropanol 117.67
    water 20.12
    ethyl acetate 229.99
    n-propanol 150.55
    acetone 247.72
    n-butanol 131.33
    acetonitrile 299.34
    DMF 395.26
    toluene 122.98
    isobutanol 115.04
    1,4-dioxane 453.26
    methyl acetate 225.78
    THF 632.59
    2-butanone 160.97
    n-pentanol 101.92
    sec-butanol 115.15
    n-hexane 28.58
    ethylene glycol 72.24
    NMP 550.36
    cyclohexane 59.93
    DMSO 296.13
    n-butyl acetate 159.67
    n-octanol 74.44
    chloroform 575.37
    n-propyl acetate 122.94
    acetic acid 405.2
    dichloromethane 792.3
    cyclohexanone 368.09
    propylene glycol 58.47
    isopropyl acetate 115.3
    DMAc 327.81
    2-ethoxyethanol 150.23
    isopentanol 102.79
    n-heptane 29.18
    ethyl formate 250.0
    1,2-dichloroethane 326.93
    n-hexanol 127.84
    2-methoxyethanol 285.72
    isobutyl acetate 75.42
    tetrachloromethane 108.35
    n-pentyl acetate 97.88
    transcutol 358.71
    n-heptanol 58.77
    ethylbenzene 65.5
    MIBK 88.75
    2-propoxyethanol 211.31
    tert-butanol 126.68
    MTBE 106.93
    2-butoxyethanol 97.52
    propionic acid 174.63
    o-xylene 87.52
    formic acid 267.1
    diethyl ether 168.84
    m-xylene 90.82
    p-xylene 97.3
    chlorobenzene 218.23
    dimethyl carbonate 113.9
    n-octane 10.88
    formamide 267.76
    cyclopentanone 389.38
    2-pentanone 144.53
    anisole 133.75
    cyclopentyl methyl ether 266.5
    gamma-butyrolactone 595.64
    1-methoxy-2-propanol 151.76
    pyridine 298.91
    3-pentanone 132.95
    furfural 501.19
    n-dodecane 9.8
    diethylene glycol 174.12
    diisopropyl ether 45.68
    tert-amyl alcohol 111.64
    acetylacetone 190.78
    n-hexadecane 11.2
    acetophenone 140.09
    methyl propionate 184.74
    isopentyl acetate 127.47
    trichloroethylene 612.01
    n-nonanol 63.97
    cyclohexanol 166.45
    benzyl alcohol 124.96
    2-ethylhexanol 86.67
    isooctanol 48.32
    dipropyl ether 108.45
    1,2-dichlorobenzene 213.78
    ethyl lactate 72.96
    propylene carbonate 339.26
    n-methylformamide 286.64
    2-pentanol 75.79
    n-pentane 26.67
    1-propoxy-2-propanol 125.61
    1-methoxy-2-propyl acetate 150.65
    2-(2-methoxypropoxy) propanol 105.35
    mesitylene 57.78
    ε-caprolactone 326.86
    p-cymene 61.78
    epichlorohydrin 509.06
    1,1,1-trichloroethane 298.02
    2-aminoethanol 109.51
    morpholine-4-carbaldehyde 440.42
    sulfolane 482.2
    2,2,4-trimethylpentane 14.51
    2-methyltetrahydrofuran 409.89
    n-hexyl acetate 153.23
    isooctane 8.1
    2-(2-butoxyethoxy)ethanol 143.47
    sec-butyl acetate 75.65
    tert-butyl acetate 104.72
    decalin 27.02
    glycerin 87.55
    diglyme 265.63
    acrylic acid 190.26
    isopropyl myristate 61.81
    n-butyric acid 218.32
    acetyl acetate 188.6
    di(2-ethylhexyl) phthalate 67.96
    ethyl propionate 127.73
    nitromethane 546.88
    1,2-diethoxyethane 149.54
    benzonitrile 200.48
    trioctyl phosphate 50.86
    1-bromopropane 171.88
    gamma-valerolactone 520.64
    n-decanol 47.98
    triethyl phosphate 78.87
    4-methyl-2-pentanol 42.95
    propionitrile 187.01
    vinylene carbonate 364.11
    1,1,2-trichlorotrifluoroethane 273.41
    DMS 154.34
    cumene 50.78
    2-octanol 45.34
    2-hexanone 108.65
    octyl acetate 80.69
    limonene 87.07
    1,2-dimethoxyethane 306.0
    ethyl orthosilicate 74.65
    tributyl phosphate 70.64
    diacetone alcohol 106.83
    N,N-dimethylaniline 102.26
    acrylonitrile 246.65
    aniline 143.87
    1,3-propanediol 146.02
    bromobenzene 223.09
    dibromomethane 424.76
    1,1,2,2-tetrachloroethane 394.02
    2-methyl-cyclohexyl acetate 112.11
    tetrabutyl urea 87.21
    diisobutyl methanol 44.56
    2-phenylethanol 127.32
    styrene 83.01
    dioctyl adipate 91.7
    dimethyl sulfate 157.98
    ethyl butyrate 127.27
    methyl lactate 92.73
    butyl lactate 75.85
    diethyl carbonate 108.71
    propanediol butyl ether 87.62
    triethyl orthoformate 97.22
    p-tert-butyltoluene 52.72
    methyl 4-tert-butylbenzoate 118.16
    morpholine 418.42
    tert-butylamine 88.59
    n-dodecanol 37.96
    dimethoxymethane 271.14
    ethylene carbonate 300.95
    cyrene 138.94
    2-ethoxyethyl acetate 141.7
    2-ethylhexyl acetate 110.35
    1,2,4-trichlorobenzene 224.14
    4-methylpyridine 306.15
    dibutyl ether 89.52
    2,6-dimethyl-4-heptanol 44.56
    DEF 221.63
    dimethyl isosorbide 232.68
    tetrachloroethylene 291.79
    eugenol 111.84
    triacetin 142.09
    span 80 94.14
    1,4-butanediol 72.5
    1,1-dichloroethane 278.02
    2-methyl-1-pentanol 95.36
    methyl formate 312.84
    2-methyl-1-butanol 108.22
    n-decane 15.81
    butyronitrile 194.82
    3,7-dimethyl-1-octanol 68.77
    1-chlorooctane 56.28
    1-chlorotetradecane 24.93
    n-nonane 16.25
    undecane 12.01
    tert-butylcyclohexane 20.93
    cyclooctane 19.74
    cyclopentanol 212.04
    tetrahydropyran 351.53
    tert-amyl methyl ether 96.24
    2,5,8-trioxanonane 182.85
    1-hexene 65.73
    2-isopropoxyethanol 96.66
    2,2,2-trifluoroethanol 186.87
    methyl butyrate 162.82

    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