2-Allyl-5-methylpyrazine

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  • Identifiers

    CAS number
    55138-63-1

    Molecular formula
    C8H10N2

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

    Safety labels

  • Odor profile

    Fragrance
    Nutty 56.32%
    Roasted 50.33%
    Green 46.26%
    Earthy 39.01%
    Musty 36.06%
    Burnt 35.11%
    Cocoa 35.04%
    Hazelnut 32.62%
    Popcorn 32.07%
    Potato 30.09%

     

    Flavor
    Nutty 48.01%
    Roasted 41.97%
    Cocoa 34.18%
    Musty 29.51%
    Coffee 28.55%
    Roast 28.11%
    Oily 28.08%
    Popcorn 27.34%
    Hazelnut 27.27%
    Vegetable 25.68%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    3.86 (weak acid)

    Molecular weight
    134.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    211°C

    Flash point

    • 86.74 ˚C est.

  • Synonyms

    • 2-Allyl-5-methylpyrazine
    • 2-Methyl-5-(2-propenyl)pyrazine
    • 2-methyl-5-(prop-2-en-1-yl)pyrazine
    • 55138-63-1
    • 2-Methyl-5-(2-propen-1-yl)pyrazine
    • Pyrazine, 2-methyl-5-(2-propenyl)-
    • 2-methyl-5-prop-2-enylpyrazine
    • 2-Allyl-5-methylpyrazine #
    • CHEBI:179427
    • JCZDTOUEQCNMKI-UHFFFAOYSA-N
    • DTXSID901297257
    • 55138-63-1

  • Applications

    2-Allyl-5-methylpyrazine (CAS 55138-63-1) is primarily used as a specialty odorant and flavoring intermediate across the fragrance and flavor industries. In perfumery, it contributes roasted, nutty, cocoa-like notes and is used as a fragrance component in complex accords. In flavor formulations and beverage systems, it may serve as a flavoring ingredient to enhance roasted and rich notes within carefully controlled formulations. It can also function as a fragrance ingredient in cosmetics/personal care and in household products, subject to formulation constraints. The allyl substituent offers a route for further synthesis, making it an intermediate in the preparation of other pyrazine-based aroma compounds in research and development settings. All uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 93.41
    methanol 131.13
    isopropanol 60.21
    water 2.52
    ethyl acetate 65.52
    n-propanol 83.6
    acetone 84.64
    n-butanol 86.15
    acetonitrile 56.84
    DMF 224.97
    toluene 76.23
    isobutanol 73.77
    1,4-dioxane 133.26
    methyl acetate 71.15
    THF 167.67
    2-butanone 94.91
    n-pentanol 73.49
    sec-butanol 70.68
    n-hexane 17.2
    ethylene glycol 38.45
    NMP 209.0
    cyclohexane 26.33
    DMSO 182.57
    n-butyl acetate 83.64
    n-octanol 40.77
    chloroform 324.55
    n-propyl acetate 45.86
    acetic acid 115.8
    dichloromethane 236.31
    cyclohexanone 153.01
    propylene glycol 47.53
    isopropyl acetate 40.55
    DMAc 264.36
    2-ethoxyethanol 84.83
    isopentanol 76.4
    n-heptane 14.91
    ethyl formate 62.59
    1,2-dichloroethane 125.56
    n-hexanol 99.57
    2-methoxyethanol 124.27
    isobutyl acetate 40.75
    tetrachloromethane 54.92
    n-pentyl acetate 43.7
    transcutol 257.2
    n-heptanol 42.06
    ethylbenzene 39.11
    MIBK 46.0
    2-propoxyethanol 118.66
    tert-butanol 75.54
    MTBE 75.94
    2-butoxyethanol 69.76
    propionic acid 85.89
    o-xylene 56.33
    formic acid 51.65
    diethyl ether 63.66
    m-xylene 54.37
    p-xylene 54.33
    chlorobenzene 109.58
    dimethyl carbonate 38.91
    n-octane 6.04
    formamide 44.12
    cyclopentanone 152.53
    2-pentanone 64.45
    anisole 67.68
    cyclopentyl methyl ether 91.96
    gamma-butyrolactone 155.9
    1-methoxy-2-propanol 90.1
    pyridine 149.18
    3-pentanone 71.19
    furfural 193.64
    n-dodecane 6.03
    diethylene glycol 98.27
    diisopropyl ether 22.72
    tert-amyl alcohol 82.55
    acetylacetone 62.97
    n-hexadecane 6.77
    acetophenone 67.57
    methyl propionate 64.33
    isopentyl acetate 74.58
    trichloroethylene 268.13
    n-nonanol 36.92
    cyclohexanol 82.22
    benzyl alcohol 70.98
    2-ethylhexanol 66.76
    isooctanol 35.12
    dipropyl ether 53.7
    1,2-dichlorobenzene 98.86
    ethyl lactate 40.52
    propylene carbonate 110.09
    n-methylformamide 75.59
    2-pentanol 52.03
    n-pentane 15.73
    1-propoxy-2-propanol 87.08
    1-methoxy-2-propyl acetate 72.08
    2-(2-methoxypropoxy) propanol 83.08
    mesitylene 35.32
    ε-caprolactone 118.08
    p-cymene 36.36
    epichlorohydrin 154.02
    1,1,1-trichloroethane 120.89
    2-aminoethanol 57.98
    morpholine-4-carbaldehyde 169.0
    sulfolane 194.98
    2,2,4-trimethylpentane 14.95
    2-methyltetrahydrofuran 133.44
    n-hexyl acetate 62.71
    isooctane 8.36
    2-(2-butoxyethoxy)ethanol 98.76
    sec-butyl acetate 36.64
    tert-butyl acetate 45.58
    decalin 17.99
    glycerin 72.68
    diglyme 152.78
    acrylic acid 87.2
    isopropyl myristate 30.8
    n-butyric acid 103.71
    acetyl acetate 50.72
    di(2-ethylhexyl) phthalate 45.25
    ethyl propionate 42.8
    nitromethane 112.0
    1,2-diethoxyethane 80.61
    benzonitrile 90.26
    trioctyl phosphate 29.46
    1-bromopropane 92.01
    gamma-valerolactone 171.34
    n-decanol 29.91
    triethyl phosphate 39.6
    4-methyl-2-pentanol 36.96
    propionitrile 69.9
    vinylene carbonate 108.9
    1,1,2-trichlorotrifluoroethane 162.57
    DMS 59.12
    cumene 33.45
    2-octanol 27.87
    2-hexanone 58.85
    octyl acetate 40.12
    limonene 51.6
    1,2-dimethoxyethane 119.34
    ethyl orthosilicate 40.05
    tributyl phosphate 37.08
    diacetone alcohol 58.71
    N,N-dimethylaniline 60.06
    acrylonitrile 82.15
    aniline 95.58
    1,3-propanediol 70.43
    bromobenzene 109.39
    dibromomethane 169.65
    1,1,2,2-tetrachloroethane 229.02
    2-methyl-cyclohexyl acetate 59.92
    tetrabutyl urea 49.1
    diisobutyl methanol 36.41
    2-phenylethanol 78.39
    styrene 50.85
    dioctyl adipate 47.7
    dimethyl sulfate 77.15
    ethyl butyrate 55.33
    methyl lactate 51.0
    butyl lactate 48.17
    diethyl carbonate 44.38
    propanediol butyl ether 66.15
    triethyl orthoformate 48.46
    p-tert-butyltoluene 32.83
    methyl 4-tert-butylbenzoate 63.36
    morpholine 138.46
    tert-butylamine 59.14
    n-dodecanol 25.37
    dimethoxymethane 87.98
    ethylene carbonate 85.53
    cyrene 81.65
    2-ethoxyethyl acetate 57.46
    2-ethylhexyl acetate 64.22
    1,2,4-trichlorobenzene 121.39
    4-methylpyridine 140.63
    dibutyl ether 47.85
    2,6-dimethyl-4-heptanol 36.41
    DEF 110.65
    dimethyl isosorbide 115.59
    tetrachloroethylene 157.24
    eugenol 72.97
    triacetin 64.59
    span 80 69.77
    1,4-butanediol 41.81
    1,1-dichloroethane 121.49
    2-methyl-1-pentanol 78.66
    methyl formate 64.23
    2-methyl-1-butanol 85.62
    n-decane 8.72
    butyronitrile 79.38
    3,7-dimethyl-1-octanol 44.96
    1-chlorooctane 31.57
    1-chlorotetradecane 15.64
    n-nonane 8.2
    undecane 7.04
    tert-butylcyclohexane 15.82
    cyclooctane 9.67
    cyclopentanol 82.75
    tetrahydropyran 126.43
    tert-amyl methyl ether 70.27
    2,5,8-trioxanonane 121.09
    1-hexene 48.99
    2-isopropoxyethanol 60.7
    2,2,2-trifluoroethanol 49.55
    methyl butyrate 61.61

    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