2-Acetyl-3-methylpyrazine

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  • Identifiers

    CAS number
    23787-80-6

    Molecular formula
    C7H8N2O

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1080.0

  • Odor profile

    Nutty 85.49%
    Roasted 79.12%
    Popcorn 71.38%
    Hazelnut 61.77%
    Coffee 50.82%
    Musty 48.14%
    Cocoa 46.76%
    Earthy 45.94%
    Burnt 45.83%
    Caramellic 45.47%

    Scent© AI

  • Properties

    XLogP3-AA
    0.2

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 265.00 to 266.00 °C. @ 760.00 mm Hg

    Flash point est.
    101.37 ˚C

    Solubility expt.

    • soluble in water, organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 2-ACETYL-3-METHYLPYRAZINE
    • 23787-80-6
    • 1-(3-methylpyrazin-2-yl)ethanone
    • 1-(3-methylpyrazin-2-yl)ethan-1-one
    • Ethanone, 1-(3-methylpyrazinyl)-
    • 2-Methyl-3-acetylpyrazine
    • 1-(3-Methylpyrazinyl)ethan-1-one
    • 3-Acetyl-2-methylpyrazine
    • UNII-7U5TEW2Y2B
    • 7U5TEW2Y2B
    • MFCD00014612
    • Pyrazine, 2-acetyl-3-methyl
    • Pyrazine, 3-acetyl-2-methyl
    • Ethanone, 1-(3-methyl-2-pyrazinyl)-
    • 1-(3-Methyl-2-pyrazinyl)ethanone
    • EINECS 245-889-8
    • 1-[3-Methyl-2-pyrazinyl]-1-ethanone
    • DTXSID7066932
    • 1-(3-Methylpyrazinyl)-Ethanone
    • 1-(3-Methylpyrazinyl)ethanone, 9CI
    • 1-(3-methyl-pyrazin-2-yl)-ethanone
    • Methyl (3-methylpyrazinyl) ketone, 8CI
    • 2-ACETYL-3-METHYLPYRAZINE [FHFI]
    • 1-(3-Methyl-2-pyrazinyl)-1-ethanone
    • 2-Acetyl-3-methyl pyrazine
    • Ethanone, 1-(methylpyrazinyl)-
    • acetyl-3-methylpyrazine, 2-
    • SCHEMBL335305
    • DTXCID9036935
    • CHEBI:166500
    • 2-Acetyl-3-methylpyrazine, >=98%
    • AKOS005256386
    • CS-W017756
    • AC-16260
    • SY027476
    • TS-01755
    • 2-Acetyl-3-methylpyrazine, >=98%, FG
    • DB-018528
    • A1978
    • NS00021902
    • D81739
    • EN300-136763
    • Q27268853

  • Applications

    2-Acetyl-3-methylpyrazine (CAS 23787-80-6) is an ultra-potent flavour molecule whose roasted, nutty, popcorn, cocoa and coffee nuances make it indispensable in flavour houses formulating confectionery, chocolate, bakery fillings, breakfast cereals, savoury snacks, instant noodles, liquid seasonings, nutritional beverages and even pet food; the compound is equally valued in tobacco, shisha and e-liquid applications where it deepens smoky notes and masks off-flavours, and thanks to its high flash point and excellent solubility in propylene glycol, ethanol and vegetable oils it can be safely incorporated into both water-based and oil-based systems; recognised as FEMA GRAS and listed under the EU flavouring regulation, 2-Acetyl-3-methylpyrazine is also exploited as a versatile intermediate by cosmetic and pharmaceutical chemists to build bioactive pyrazine derivatives.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 146.16
    methanol 246.16
    isopropanol 98.16
    water 29.6
    ethyl acetate 237.54
    n-propanol 126.42
    acetone 265.27
    n-butanol 107.12
    acetonitrile 269.56
    DMF 417.84
    toluene 110.07
    isobutanol 96.37
    1,4-dioxane 370.76
    methyl acetate 197.44
    THF 402.89
    2-butanone 189.62
    n-pentanol 82.35
    sec-butanol 96.92
    n-hexane 22.68
    ethylene glycol 101.97
    NMP 507.71
    cyclohexane 20.61
    DMSO 496.3
    n-butyl acetate 90.71
    n-octanol 42.14
    chloroform 408.23
    n-propyl acetate 86.64
    acetic acid 249.76
    dichloromethane 542.28
    cyclohexanone 276.43
    propylene glycol 63.08
    isopropyl acetate 105.82
    DMAc 374.79
    2-ethoxyethanol 174.3
    isopentanol 86.79
    n-heptane 14.37
    ethyl formate 168.41
    1,2-dichloroethane 327.08
    n-hexanol 74.6
    2-methoxyethanol 317.99
    isobutyl acetate 52.74
    tetrachloromethane 92.1
    n-pentyl acetate 65.51
    transcutol 265.06
    n-heptanol 39.14
    ethylbenzene 51.81
    MIBK 90.6
    2-propoxyethanol 162.7
    tert-butanol 113.12
    MTBE 103.45
    2-butoxyethanol 79.05
    propionic acid 154.37
    o-xylene 80.61
    formic acid 192.37
    diethyl ether 157.96
    m-xylene 80.44
    p-xylene 70.1
    chlorobenzene 154.73
    dimethyl carbonate 101.85
    n-octane 6.54
    formamide 209.94
    cyclopentanone 345.01
    2-pentanone 163.65
    anisole 114.94
    cyclopentyl methyl ether 210.55
    gamma-butyrolactone 457.56
    1-methoxy-2-propanol 183.0
    pyridine 230.78
    3-pentanone 158.65
    furfural 397.54
    n-dodecane 5.87
    diethylene glycol 170.26
    diisopropyl ether 42.89
    tert-amyl alcohol 103.41
    acetylacetone 216.0
    n-hexadecane 6.67
    acetophenone 111.17
    methyl propionate 202.07
    isopentyl acetate 75.7
    trichloroethylene 477.09
    n-nonanol 36.39
    cyclohexanol 107.45
    benzyl alcohol 97.11
    2-ethylhexanol 49.96
    isooctanol 34.47
    dipropyl ether 64.74
    1,2-dichlorobenzene 155.11
    ethyl lactate 63.03
    propylene carbonate 212.1
    n-methylformamide 251.31
    2-pentanol 69.81
    n-pentane 19.3
    1-propoxy-2-propanol 95.14
    1-methoxy-2-propyl acetate 106.24
    2-(2-methoxypropoxy) propanol 78.77
    mesitylene 52.16
    ε-caprolactone 247.69
    p-cymene 37.21
    epichlorohydrin 438.46
    1,1,1-trichloroethane 244.7
    2-aminoethanol 119.15
    morpholine-4-carbaldehyde 405.41
    sulfolane 536.31
    2,2,4-trimethylpentane 13.34
    2-methyltetrahydrofuran 294.84
    n-hexyl acetate 89.05
    isooctane 8.65
    2-(2-butoxyethoxy)ethanol 93.86
    sec-butyl acetate 60.95
    tert-butyl acetate 97.57
    decalin 17.74
    glycerin 127.14
    diglyme 198.73
    acrylic acid 166.44
    isopropyl myristate 35.13
    n-butyric acid 164.13
    acetyl acetate 139.15
    di(2-ethylhexyl) phthalate 42.88
    ethyl propionate 108.11
    nitromethane 467.23
    1,2-diethoxyethane 95.86
    benzonitrile 154.57
    trioctyl phosphate 31.8
    1-bromopropane 162.71
    gamma-valerolactone 439.39
    n-decanol 28.26
    triethyl phosphate 54.34
    4-methyl-2-pentanol 42.8
    propionitrile 182.24
    vinylene carbonate 220.37
    1,1,2-trichlorotrifluoroethane 255.71
    DMS 103.08
    cumene 41.3
    2-octanol 32.34
    2-hexanone 91.93
    octyl acetate 45.26
    limonene 49.07
    1,2-dimethoxyethane 254.77
    ethyl orthosilicate 51.01
    tributyl phosphate 39.44
    diacetone alcohol 108.58
    N,N-dimethylaniline 88.22
    acrylonitrile 240.05
    aniline 132.38
    1,3-propanediol 146.84
    bromobenzene 158.02
    dibromomethane 332.42
    1,1,2,2-tetrachloroethane 337.36
    2-methyl-cyclohexyl acetate 63.35
    tetrabutyl urea 53.37
    diisobutyl methanol 31.88
    2-phenylethanol 81.8
    styrene 61.41
    dioctyl adipate 52.53
    dimethyl sulfate 195.33
    ethyl butyrate 78.54
    methyl lactate 103.52
    butyl lactate 52.43
    diethyl carbonate 60.14
    propanediol butyl ether 66.8
    triethyl orthoformate 59.81
    p-tert-butyltoluene 35.48
    methyl 4-tert-butylbenzoate 84.78
    morpholine 321.27
    tert-butylamine 71.24
    n-dodecanol 22.54
    dimethoxymethane 270.18
    ethylene carbonate 185.55
    cyrene 108.77
    2-ethoxyethyl acetate 96.96
    2-ethylhexyl acetate 63.48
    1,2,4-trichlorobenzene 169.67
    4-methylpyridine 256.33
    dibutyl ether 49.82
    2,6-dimethyl-4-heptanol 31.88
    DEF 232.39
    dimethyl isosorbide 152.14
    tetrachloroethylene 253.44
    eugenol 82.52
    triacetin 84.9
    span 80 61.45
    1,4-butanediol 75.57
    1,1-dichloroethane 257.99
    2-methyl-1-pentanol 78.95
    methyl formate 231.14
    2-methyl-1-butanol 94.26
    n-decane 8.88
    butyronitrile 159.11
    3,7-dimethyl-1-octanol 40.5
    1-chlorooctane 34.06
    1-chlorotetradecane 15.53
    n-nonane 8.78
    undecane 7.02
    tert-butylcyclohexane 17.25
    cyclooctane 9.71
    cyclopentanol 138.47
    tetrahydropyran 223.64
    tert-amyl methyl ether 101.34
    2,5,8-trioxanonane 128.12
    1-hexene 54.89
    2-isopropoxyethanol 98.21
    2,2,2-trifluoroethanol 142.77
    methyl butyrate 129.93

    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

Botanical

Name CAS Botanical Proportion
Chicory root, roasted 2 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.49%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%