2,5-Diethyl-3,6-dimethylpyrazine

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  • Identifiers

    CAS number
    18903-30-5

    Molecular formula
    C10H16N2

    SMILES
    CCC1=C(N=C(C(=N1)C)CC)C

    Safety labels

  • Odor profile

    Fragrance
    Nutty 75.25%
    Roasted 68.86%
    Earthy 64.06%
    Cocoa 58.37%
    Burnt 58.14%
    Musty 56.12%
    Hazelnut 55.48%
    Coffee 49.09%
    Chocolate 48.23%
    Potato 47.6%

     

    Flavor
    Nutty 63.85%
    Earthy 58.06%
    Roasted 52.61%
    Potato 50.41%
    Meaty 48.99%
    Musty 47.95%
    Hazelnut 47.77%
    Roast 42.33%
    Vegetable 41.47%
    Burnt 41.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    5.07 (weak acid)

    Molecular weight
    164.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    224°C

    Flash point

    • 79.95 ˚C est.

  • Synonyms

    • 2,5-Diethyl-3,6-dimethylpyrazine
    • 18903-30-5
    • DTXSID50506284
    • RefChem:1060081
    • DTXCID80457093
    • Pyrazine, 2,5-diethyl-3,6-dimethyl-
    • MFCD18449287
    • SCHEMBL10393962
    • WOKWCTYNOKUPRA-UHFFFAOYSA-
    • CHEBI:187740
    • WOKWCTYNOKUPRA-UHFFFAOYSA-N
    • 2,5-Diethyl-3,6-dimethylpyrazin
    • 2,5-diethyl-3,6-dimethyl-pyrazine
    • AC5008
    • AKOS006371230
    • SY096557
    • DB-337936
    • CS-0336671
    • InChI=1/C10H16N2/c1-5-9-7(3)12-10(6-2)8(4)11-9/h5-6H2,1-4H3
    • 18903-30-5

  • Applications

    2,5-Diethyl-3,6-dimethylpyrazine (CAS 18903-30-5) is principally used as an odorant and flavoring ingredient in commercial applications, notably in perfumery/fragrance and cosmetics/personal care; it is also evaluated for flavor/aroma use in flavor systems; additionally, it can contribute to the scent of household and cleaning products; at the industrial level, this compound often serves as an intermediate in the synthesis of other aroma compounds and specialty materials for the fragrance and cosmetic industries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 908.42
    methanol 1216.73
    isopropanol 698.42
    water 3.94
    ethyl acetate 1253.7
    n-propanol 962.13
    acetone 1158.39
    n-butanol 934.06
    acetonitrile 942.64
    DMF 1574.18
    toluene 1157.28
    isobutanol 810.46
    1,4-dioxane 1962.22
    methyl acetate 1086.79
    THF 2337.6
    2-butanone 1162.88
    n-pentanol 797.95
    sec-butanol 825.98
    n-hexane 687.27
    ethylene glycol 187.45
    NMP 1657.38
    cyclohexane 857.53
    DMSO 1095.5
    n-butyl acetate 1511.54
    n-octanol 670.24
    chloroform 5375.96
    n-propyl acetate 927.01
    acetic acid 773.01
    dichloromethane 4882.54
    cyclohexanone 2069.8
    propylene glycol 224.32
    isopropyl acetate 815.52
    DMAc 1299.33
    2-ethoxyethanol 810.85
    isopentanol 792.22
    n-heptane 403.91
    ethyl formate 997.42
    1,2-dichloroethane 2609.65
    n-hexanol 1033.6
    2-methoxyethanol 1119.29
    isobutyl acetate 705.95
    tetrachloromethane 1564.8
    n-pentyl acetate 962.19
    transcutol 1305.01
    n-heptanol 581.06
    ethylbenzene 822.52
    MIBK 691.81
    2-propoxyethanol 1077.1
    tert-butanol 766.79
    MTBE 1103.02
    2-butoxyethanol 731.48
    propionic acid 711.25
    o-xylene 809.33
    formic acid 269.47
    diethyl ether 1515.81
    m-xylene 802.2
    p-xylene 1097.92
    chlorobenzene 1693.68
    dimethyl carbonate 560.93
    n-octane 229.81
    formamide 343.85
    cyclopentanone 2013.6
    2-pentanone 1069.54
    anisole 970.42
    cyclopentyl methyl ether 1491.58
    gamma-butyrolactone 2178.02
    1-methoxy-2-propanol 768.8
    pyridine 1807.5
    3-pentanone 1058.14
    furfural 1882.03
    n-dodecane 153.72
    diethylene glycol 549.15
    diisopropyl ether 538.56
    tert-amyl alcohol 806.77
    acetylacetone 1069.11
    n-hexadecane 179.08
    acetophenone 854.97
    methyl propionate 993.4
    isopentyl acetate 1204.63
    trichloroethylene 4346.89
    n-nonanol 545.75
    cyclohexanol 1002.61
    benzyl alcohol 729.25
    2-ethylhexanol 786.58
    isooctanol 484.43
    dipropyl ether 991.17
    1,2-dichlorobenzene 1618.15
    ethyl lactate 393.38
    propylene carbonate 1358.24
    n-methylformamide 833.01
    2-pentanol 679.15
    n-pentane 497.37
    1-propoxy-2-propanol 770.27
    1-methoxy-2-propyl acetate 838.09
    2-(2-methoxypropoxy) propanol 477.06
    mesitylene 580.4
    ε-caprolactone 1597.05
    p-cymene 567.36
    epichlorohydrin 2398.62
    1,1,1-trichloroethane 2639.98
    2-aminoethanol 359.59
    morpholine-4-carbaldehyde 1501.59
    sulfolane 2135.14
    2,2,4-trimethylpentane 256.87
    2-methyltetrahydrofuran 1817.06
    n-hexyl acetate 1203.94
    isooctane 166.36
    2-(2-butoxyethoxy)ethanol 614.12
    sec-butyl acetate 667.52
    tert-butyl acetate 748.47
    decalin 394.27
    glycerin 274.09
    diglyme 1292.77
    acrylic acid 592.79
    isopropyl myristate 471.54
    n-butyric acid 1084.25
    acetyl acetate 852.69
    di(2-ethylhexyl) phthalate 394.28
    ethyl propionate 931.44
    nitromethane 1202.36
    1,2-diethoxyethane 1075.58
    benzonitrile 1290.42
    trioctyl phosphate 331.1
    1-bromopropane 1919.53
    gamma-valerolactone 2043.35
    n-decanol 401.71
    triethyl phosphate 465.05
    4-methyl-2-pentanol 409.92
    propionitrile 1027.98
    vinylene carbonate 1438.33
    1,1,2-trichlorotrifluoroethane 1201.75
    DMS 812.29
    cumene 582.11
    2-octanol 525.05
    2-hexanone 947.0
    octyl acetate 589.14
    limonene 764.55
    1,2-dimethoxyethane 1585.57
    ethyl orthosilicate 481.77
    tributyl phosphate 422.24
    diacetone alcohol 549.83
    N,N-dimethylaniline 757.97
    acrylonitrile 1151.73
    aniline 932.46
    1,3-propanediol 562.38
    bromobenzene 2133.92
    dibromomethane 3427.84
    1,1,2,2-tetrachloroethane 3499.45
    2-methyl-cyclohexyl acetate 722.12
    tetrabutyl urea 496.33
    diisobutyl methanol 393.42
    2-phenylethanol 798.74
    styrene 964.75
    dioctyl adipate 553.94
    dimethyl sulfate 730.54
    ethyl butyrate 974.13
    methyl lactate 370.81
    butyl lactate 574.82
    diethyl carbonate 706.99
    propanediol butyl ether 522.81
    triethyl orthoformate 689.33
    p-tert-butyltoluene 511.06
    methyl 4-tert-butylbenzoate 684.42
    morpholine 1705.57
    tert-butylamine 684.56
    n-dodecanol 313.19
    dimethoxymethane 1331.7
    ethylene carbonate 1217.29
    cyrene 516.68
    2-ethoxyethyl acetate 904.6
    2-ethylhexyl acetate 1101.18
    1,2,4-trichlorobenzene 1653.04
    4-methylpyridine 1882.59
    dibutyl ether 983.76
    2,6-dimethyl-4-heptanol 393.42
    DEF 1301.73
    dimethyl isosorbide 918.24
    tetrachloroethylene 2796.14
    eugenol 633.3
    triacetin 731.82
    span 80 506.76
    1,4-butanediol 319.33
    1,1-dichloroethane 2505.6
    2-methyl-1-pentanol 759.05
    methyl formate 831.0
    2-methyl-1-butanol 867.33
    n-decane 266.9
    butyronitrile 1293.51
    3,7-dimethyl-1-octanol 541.61
    1-chlorooctane 750.88
    1-chlorotetradecane 292.53
    n-nonane 305.31
    undecane 194.41
    tert-butylcyclohexane 343.82
    cyclooctane 364.67
    cyclopentanol 1007.76
    tetrahydropyran 2099.82
    tert-amyl methyl ether 923.45
    2,5,8-trioxanonane 778.87
    1-hexene 1197.96
    2-isopropoxyethanol 577.56
    2,2,2-trifluoroethanol 336.01
    methyl butyrate 1173.79

    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