2,3-Diethyl-5-Methylpyrazine

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  • Identifiers

    CAS number
    18138-04-0

    Molecular formula
    C9H14N2

    SMILES
    CCC1=NC=C(N=C1CC)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 82.32%
    Roasted 76.12%
    Earthy 67.89%
    Cocoa 63.8%
    Hazelnut 61.29%
    Musty 57.92%
    Potato 57.4%
    Burnt 52.74%
    Coffee 52.13%
    Chocolate 50.1%

     

    Flavor
    Nutty 71.32%
    Earthy 63.22%
    Green 59.51%
    Meaty 55.34%
    Potato 53.38%
    Vegetable 51.28%
    Fruity 51.25%
    Roasted 50.99%
    Floral 46.99%
    Hazelnut 46.27%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    5.1 (weak acid)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    209°C

    Flash point

    • 73.71 ˚C est.

    Solubility expt.

    • 6.7 [ug/mL] (The mean of the results at pH 7.4)
    • moderately soluble in water; soluble in oils, organic solvents
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 2,3-DIETHYL-5-METHYLPYRAZINE
    • 18138-04-0
    • Pyrazine, 2,3-diethyl-5-methyl-
    • hazelnut pyrazine
    • 2,3-Diethyl-6-methylpyrazine
    • 5-Methyl-2,3-diethylpyrazine
    • FEMA No. 3336
    • 2-Methyl-5,6-diethylpyrazine
    • UNII-530763R0AP
    • EINECS 242-024-6
    • 530763R0AP
    • 2,3-diethyl-5-methyl-pyrazine
    • DTXSID6066317
    • PSINWXIDJYEXLO-UHFFFAOYSA-
    • METHYL-5,6-DIETHYLPYRAZINE
    • 2,3-DIETHYL-5-METHYLPYRAZINE [FHFI]
    • MLS000515960
    • 2,3-Diethyl-6-methylpyrazine; 2-Methyl-5,6-diethylpyrazine; 5-Methyl-2,3-diethylpyrazine
    • MFCD00009635
    • SCHEMBL756047
    • CHEMBL1904383
    • DTXCID4035754
    • FEMA 3336
    • CHEBI:193685
    • HMS2269E08
    • 2,3-Diethyl-5-methylpyrazine, 99%
    • AKOS015838583
    • CS-W016320
    • FD35650
    • NCGC00247002-01
    • AC-16405
    • AS-59328
    • SMR000112429
    • 2,3-Diethyl-5-methylpyrazine, 99%, FG
    • DB-019730
    • D1714
    • NS00021776
    • D81788
    • 2,3-Diethyl-5-methylpyrazine, analytical standard
    • A812612
    • Q27261047
    • 242-024-6

  • Applications

    2,3-Diethyl-5-methylpyrazine (CAS 18138-04-0) is a pyrazine compound with a distinctive roasted aroma that is widely applied in the flavour industry to recreate the taste of baked goods, coffee, cocoa, breakfast cereals, smoked meats, chestnuts and savoury snacks, is included as an odour-enhancing component in fish sauce, soy sauce and liquid seasonings to impart depth and warmth, is investigated as a gas-chromatography standard for food flavour fingerprinting, is added to e-cigarettes, scented candles, deodorizing products and perfumery compositions with woody or leathery accords, and serves as a model compound in research on Maillard reactions, roast-generated aroma formation and the development of biosensors for detecting aromatic amines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 609.64
    methanol 734.87
    isopropanol 458.9
    water 2.74
    ethyl acetate 921.79
    n-propanol 578.75
    acetone 1058.07
    n-butanol 535.82
    acetonitrile 877.61
    DMF 1348.92
    toluene 802.17
    isobutanol 471.98
    1,4-dioxane 1309.35
    methyl acetate 854.85
    THF 1759.09
    2-butanone 929.32
    n-pentanol 472.5
    sec-butanol 536.34
    n-hexane 368.53
    ethylene glycol 136.48
    NMP 1491.98
    cyclohexane 502.13
    DMSO 1005.03
    n-butyl acetate 1203.47
    n-octanol 490.43
    chloroform 4339.04
    n-propyl acetate 716.83
    acetic acid 631.03
    dichloromethane 4342.39
    cyclohexanone 1714.5
    propylene glycol 166.12
    isopropyl acetate 560.27
    DMAc 1045.24
    2-ethoxyethanol 504.68
    isopentanol 439.87
    n-heptane 346.15
    ethyl formate 877.76
    1,2-dichloroethane 2263.27
    n-hexanol 667.26
    2-methoxyethanol 710.64
    isobutyl acetate 490.76
    tetrachloromethane 1178.63
    n-pentyl acetate 726.01
    transcutol 892.09
    n-heptanol 410.58
    ethylbenzene 562.92
    MIBK 486.44
    2-propoxyethanol 702.19
    tert-butanol 481.62
    MTBE 607.55
    2-butoxyethanol 475.2
    propionic acid 601.93
    o-xylene 584.1
    formic acid 197.85
    diethyl ether 822.57
    m-xylene 596.61
    p-xylene 802.36
    chlorobenzene 1382.93
    dimethyl carbonate 452.33
    n-octane 179.82
    formamide 278.16
    cyclopentanone 1815.83
    2-pentanone 822.19
    anisole 671.87
    cyclopentyl methyl ether 1032.08
    gamma-butyrolactone 2027.24
    1-methoxy-2-propanol 522.37
    pyridine 1487.81
    3-pentanone 793.78
    furfural 1734.21
    n-dodecane 137.36
    diethylene glycol 369.26
    diisopropyl ether 311.4
    tert-amyl alcohol 494.78
    acetylacetone 912.05
    n-hexadecane 159.48
    acetophenone 682.01
    methyl propionate 800.43
    isopentyl acetate 888.83
    trichloroethylene 3942.24
    n-nonanol 394.15
    cyclohexanol 645.64
    benzyl alcohol 503.61
    2-ethylhexanol 541.82
    isooctanol 329.73
    dipropyl ether 752.69
    1,2-dichlorobenzene 1401.01
    ethyl lactate 316.94
    propylene carbonate 1303.53
    n-methylformamide 706.9
    2-pentanol 393.97
    n-pentane 283.31
    1-propoxy-2-propanol 543.03
    1-methoxy-2-propyl acetate 657.82
    2-(2-methoxypropoxy) propanol 363.92
    mesitylene 449.5
    ε-caprolactone 1338.9
    p-cymene 494.18
    epichlorohydrin 1985.65
    1,1,1-trichloroethane 2390.34
    2-aminoethanol 237.82
    morpholine-4-carbaldehyde 1220.63
    sulfolane 2033.45
    2,2,4-trimethylpentane 159.4
    2-methyltetrahydrofuran 1371.29
    n-hexyl acetate 953.54
    isooctane 111.32
    2-(2-butoxyethoxy)ethanol 472.5
    sec-butyl acetate 453.16
    tert-butyl acetate 518.42
    decalin 261.11
    glycerin 210.75
    diglyme 976.56
    acrylic acid 553.89
    isopropyl myristate 386.79
    n-butyric acid 811.18
    acetyl acetate 661.05
    di(2-ethylhexyl) phthalate 319.74
    ethyl propionate 690.84
    nitromethane 1098.57
    1,2-diethoxyethane 744.27
    benzonitrile 1070.25
    trioctyl phosphate 281.73
    1-bromopropane 1385.29
    gamma-valerolactone 1810.58
    n-decanol 302.35
    triethyl phosphate 406.51
    4-methyl-2-pentanol 235.64
    propionitrile 841.73
    vinylene carbonate 1364.26
    1,1,2-trichlorotrifluoroethane 1069.18
    DMS 668.26
    cumene 428.04
    2-octanol 367.2
    2-hexanone 715.18
    octyl acetate 493.17
    limonene 649.46
    1,2-dimethoxyethane 1051.17
    ethyl orthosilicate 374.0
    tributyl phosphate 359.59
    diacetone alcohol 407.97
    N,N-dimethylaniline 551.78
    acrylonitrile 1031.79
    aniline 663.23
    1,3-propanediol 364.27
    bromobenzene 1771.03
    dibromomethane 2916.08
    1,1,2,2-tetrachloroethane 2965.78
    2-methyl-cyclohexyl acetate 593.08
    tetrabutyl urea 439.96
    diisobutyl methanol 293.79
    2-phenylethanol 581.07
    styrene 677.67
    dioctyl adipate 496.33
    dimethyl sulfate 621.77
    ethyl butyrate 830.2
    methyl lactate 325.36
    butyl lactate 452.43
    diethyl carbonate 605.58
    propanediol butyl ether 389.11
    triethyl orthoformate 549.6
    p-tert-butyltoluene 439.79
    methyl 4-tert-butylbenzoate 566.82
    morpholine 1151.1
    tert-butylamine 404.26
    n-dodecanol 248.06
    dimethoxymethane 986.35
    ethylene carbonate 1118.86
    cyrene 410.35
    2-ethoxyethyl acetate 683.23
    2-ethylhexyl acetate 801.34
    1,2,4-trichlorobenzene 1376.04
    4-methylpyridine 1476.41
    dibutyl ether 746.78
    2,6-dimethyl-4-heptanol 293.79
    DEF 1010.29
    dimethyl isosorbide 759.42
    tetrachloroethylene 2235.17
    eugenol 503.22
    triacetin 637.2
    span 80 409.26
    1,4-butanediol 215.07
    1,1-dichloroethane 2164.53
    2-methyl-1-pentanol 424.05
    methyl formate 739.34
    2-methyl-1-butanol 481.55
    n-decane 220.3
    butyronitrile 1000.78
    3,7-dimethyl-1-octanol 398.8
    1-chlorooctane 608.93
    1-chlorotetradecane 257.78
    n-nonane 244.37
    undecane 169.05
    tert-butylcyclohexane 229.49
    cyclooctane 221.17
    cyclopentanol 740.67
    tetrahydropyran 1378.32
    tert-amyl methyl ether 535.69
    2,5,8-trioxanonane 638.64
    1-hexene 675.55
    2-isopropoxyethanol 367.92
    2,2,2-trifluoroethanol 284.61
    methyl butyrate 939.13

    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