2-Ethylpyrazine

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  • Identifiers

    CAS number
    13925-00-3

    Molecular formula
    C6H8N2

    SMILES
    CCC1=NC=CN=C1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 906.0

  • Odor profile

    Nutty 89.03%
    Roasted 80.9%
    Cocoa 68.58%
    Musty 66.14%
    Hazelnut 62.9%
    Earthy 61.39%
    Coffee 58.77%
    Green 57.64%
    Potato 56.12%
    Chocolate 51.26%

    Scent© AI

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    4.0 (weak acid)

    Molecular weight
    108.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 152.00 to 153.00 °C. @ 760.00 mm Hg

    Flash point est.
    59.85 ˚C

    Solubility expt.

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

  • Synonyms

    • 2-ETHYLPYRAZINE
    • Ethylpyrazine
    • 13925-00-3
    • 2-Ethyl-1,4-diazine
    • Pyrazine, ethyl-
    • 2-ethyl pyrazine
    • Moldin
    • FEMA No. 3281
    • Pyrazine, 2-ethyl-
    • CCRIS 2931
    • 2-Ethyl-pyrazine
    • EINECS 237-691-5
    • 0QO4LUV16Z
    • BRN 0108200
    • CHEBI:73232
    • FEMA 3281
    • MFCD00006149
    • 1392-50-3
    • 2-ETHYLPYRAZINE [FHFI]
    • DTXSID2065676
    • 5-23-05-00402 (Beilstein Handbook Reference)
    • UNII-0QO4LUV16Z
    • ethyl-pyrazine
    • Pyrazine, ethyl
    • Pyrazine, 2ethyl
    • 2Ethyl1,4diazine
    • ethylpyrazine, 2-
    • Ethylpyrazine, 98%
    • SCHEMBL12431
    • CHEMBL97525
    • DTXCID0034512
    • 2-Ethylpyrazine, >=98%, FG
    • AKOS003368474
    • CS-W021688
    • HY-W040948
    • AS-50068
    • PD158376
    • SY015220
    • DB-003654
    • E0334
    • NS00021635
    • EN300-95637
    • O10771
    • A807505
    • Q27140387
    • InChI=1/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H
    • 237-691-5

  • Applications

    2-Ethylpyrazine (CAS 13925-00-3) is a volatile pyrazine that imparts characteristic roasted, nutty, cocoa and coffee notes, widely employed as a flavour additive in instant coffee, chocolate, baked goods, snack seasonings, sauces and broths, also blended into tobacco and gourmand perfume accords; in the chemical industry it serves as an intermediate for the synthesis of pharmaceuticals and agrochemicals due to its nitrogen-rich heterocycle, is explored as an odour marker, analytical reference standard and gas-sensor material, and participates in Maillard reactions to develop brown, grilled and roasted food aromas.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 199.16
    methanol 301.98
    isopropanol 132.23
    water 4.37
    ethyl acetate 259.69
    n-propanol 171.08
    acetone 372.97
    n-butanol 153.87
    acetonitrile 352.03
    DMF 500.25
    toluene 196.11
    isobutanol 143.31
    1,4-dioxane 416.22
    methyl acetate 230.04
    THF 454.42
    2-butanone 301.03
    n-pentanol 130.58
    sec-butanol 131.11
    n-hexane 30.9
    ethylene glycol 67.88
    NMP 704.26
    cyclohexane 42.74
    DMSO 756.01
    n-butyl acetate 252.02
    n-octanol 71.28
    chloroform 956.71
    n-propyl acetate 171.87
    acetic acid 378.35
    dichloromethane 1045.41
    cyclohexanone 467.35
    propylene glycol 64.52
    isopropyl acetate 130.88
    DMAc 408.91
    2-ethoxyethanol 181.3
    isopentanol 130.12
    n-heptane 30.02
    ethyl formate 225.51
    1,2-dichloroethane 536.43
    n-hexanol 138.41
    2-methoxyethanol 269.88
    isobutyl acetate 110.67
    tetrachloromethane 238.44
    n-pentyl acetate 138.35
    transcutol 533.15
    n-heptanol 71.2
    ethylbenzene 77.03
    MIBK 115.4
    2-propoxyethanol 210.45
    tert-butanol 158.58
    MTBE 157.11
    2-butoxyethanol 132.7
    propionic acid 239.84
    o-xylene 117.23
    formic acid 147.39
    diethyl ether 184.13
    m-xylene 115.64
    p-xylene 118.25
    chlorobenzene 393.7
    dimethyl carbonate 95.3
    n-octane 13.74
    formamide 167.85
    cyclopentanone 543.63
    2-pentanone 213.13
    anisole 158.96
    cyclopentyl methyl ether 245.0
    gamma-butyrolactone 650.29
    1-methoxy-2-propanol 181.66
    pyridine 522.47
    3-pentanone 196.13
    furfural 664.66
    n-dodecane 11.85
    diethylene glycol 171.51
    diisopropyl ether 56.16
    tert-amyl alcohol 146.92
    acetylacetone 243.24
    n-hexadecane 13.52
    acetophenone 162.07
    methyl propionate 208.34
    isopentyl acetate 179.91
    trichloroethylene 996.03
    n-nonanol 62.06
    cyclohexanol 161.8
    benzyl alcohol 140.17
    2-ethylhexanol 103.41
    isooctanol 64.13
    dipropyl ether 132.23
    1,2-dichlorobenzene 321.64
    ethyl lactate 80.97
    propylene carbonate 363.03
    n-methylformamide 281.58
    2-pentanol 100.8
    n-pentane 29.83
    1-propoxy-2-propanol 159.16
    1-methoxy-2-propyl acetate 153.84
    2-(2-methoxypropoxy) propanol 125.6
    mesitylene 73.68
    ε-caprolactone 381.28
    p-cymene 71.3
    epichlorohydrin 622.7
    1,1,1-trichloroethane 521.71
    2-aminoethanol 108.02
    morpholine-4-carbaldehyde 474.56
    sulfolane 858.89
    2,2,4-trimethylpentane 22.76
    2-methyltetrahydrofuran 393.85
    n-hexyl acetate 166.29
    isooctane 14.71
    2-(2-butoxyethoxy)ethanol 170.99
    sec-butyl acetate 103.21
    tert-butyl acetate 128.37
    decalin 29.74
    glycerin 102.95
    diglyme 329.16
    acrylic acid 256.4
    isopropyl myristate 64.43
    n-butyric acid 294.22
    acetyl acetate 178.81
    di(2-ethylhexyl) phthalate 78.39
    ethyl propionate 143.58
    nitromethane 569.54
    1,2-diethoxyethane 213.04
    benzonitrile 308.57
    trioctyl phosphate 55.25
    1-bromopropane 300.74
    gamma-valerolactone 599.54
    n-decanol 47.95
    triethyl phosphate 78.83
    4-methyl-2-pentanol 61.05
    propionitrile 281.83
    vinylene carbonate 359.82
    1,1,2-trichlorotrifluoroethane 393.98
    DMS 135.01
    cumene 61.81
    2-octanol 54.69
    2-hexanone 170.7
    octyl acetate 86.04
    limonene 97.75
    1,2-dimethoxyethane 297.84
    ethyl orthosilicate 73.56
    tributyl phosphate 76.49
    diacetone alcohol 138.33
    N,N-dimethylaniline 117.11
    acrylonitrile 381.82
    aniline 243.61
    1,3-propanediol 139.88
    bromobenzene 444.61
    dibromomethane 669.38
    1,1,2,2-tetrachloroethane 715.22
    2-methyl-cyclohexyl acetate 116.78
    tetrabutyl urea 96.67
    diisobutyl methanol 60.43
    2-phenylethanol 144.2
    styrene 117.26
    dioctyl adipate 95.09
    dimethyl sulfate 197.92
    ethyl butyrate 172.15
    methyl lactate 106.03
    butyl lactate 106.53
    diethyl carbonate 118.88
    propanediol butyl ether 117.36
    triethyl orthoformate 106.74
    p-tert-butyltoluene 64.3
    methyl 4-tert-butylbenzoate 124.5
    morpholine 376.55
    tert-butylamine 108.2
    n-dodecanol 39.66
    dimethoxymethane 220.11
    ethylene carbonate 277.07
    cyrene 142.17
    2-ethoxyethyl acetate 175.24
    2-ethylhexyl acetate 147.49
    1,2,4-trichlorobenzene 383.96
    4-methylpyridine 492.14
    dibutyl ether 110.3
    2,6-dimethyl-4-heptanol 60.43
    DEF 313.14
    dimethyl isosorbide 238.45
    tetrachloroethylene 533.19
    eugenol 140.54
    triacetin 136.54
    span 80 113.54
    1,4-butanediol 78.54
    1,1-dichloroethane 507.69
    2-methyl-1-pentanol 124.29
    methyl formate 233.37
    2-methyl-1-butanol 141.38
    n-decane 17.41
    butyronitrile 271.25
    3,7-dimethyl-1-octanol 74.25
    1-chlorooctane 70.46
    1-chlorotetradecane 31.33
    n-nonane 17.73
    undecane 13.91
    tert-butylcyclohexane 29.4
    cyclooctane 17.12
    cyclopentanol 205.83
    tetrahydropyran 324.87
    tert-amyl methyl ether 122.45
    2,5,8-trioxanonane 214.44
    1-hexene 96.33
    2-isopropoxyethanol 126.52
    2,2,2-trifluoroethanol 146.13
    methyl butyrate 203.32

    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 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.03%
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.04%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%