Ethyl pyrazinecarboxylate

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  • Identifiers

    CAS number
    6924-68-1

    Molecular formula
    C7H8N2O2

    SMILES
    CCOC(=O)C1=NC=CN=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 54.2%
    Fruity 47.14%
    Roasted 41.25%
    Caramellic 33.16%
    Burnt 30.61%
    Herbal 28.97%
    Popcorn 28.85%
    Musty 28.66%
    Earthy 27.41%
    Floral 26.95%

     

    Flavor
    Fruity 46.24%
    Bitter 45.8%
    Grape 30.55%
    Nutty 27.86%
    Musty 25.17%
    Tobacco 23.09%
    Bread crust 22.25%
    Orange flower 21.86%
    Strawberry 21.76%
    Orange blossom 21.7%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    4.04 (weak acid)

    Molecular weight
    152.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    256°C

    Flash point

    • 115.18 ˚C est.

  • Synonyms

    • 6924-68-1
    • Ethyl pyrazinecarboxylate
    • EINECS 230-045-3
    • DTXSID50219302
    • 2-Pyrazinecarboxylic acid, ethyl ester
    • RefChem:596389
    • DTXCID30141793
    • 230-045-3
    • ethyl pyrazine-2-carboxylate
    • MFCD00792887
    • Pyrazinoic Acid Ethyl Ester
    • 2-Pyrazinecarboxylic acid ethyl ester
    • Q7Y9QBJ83Z
    • Pyrazinecarboxylic acid, ethyl ester
    • 3-carbethoxypyrazine
    • ethyl pyrazine carboxylate
    • ethylpyrazine-2-carboxylate
    • UNII-Q7Y9QBJ83Z
    • ethyl pyrazine-2 carboxylate
    • SCHEMBL2558377
    • SCHEMBL4915757
    • SCHEMBL27517498
    • SCHEMBL30568667
    • ALBB-003875
    • CS-M0893
    • STK502763
    • AKOS002659296
    • AS-8545
    • CCG-321341
    • AC-28144
    • SY012364
    • DB-074150
    • NS00036821
    • EN300-86363
    • F216407
    • Z53835886
    • Ethyl 2-Pyrazinecarboxylate; Ethyl Pyrazinecarboxylate; Ethyl Pyrazinoate;
    • 6924-68-1

  • Applications

    Ethyl pyrazinecarboxylate (CAS 6924-68-1) is primarily used as an aroma compound and flavor ingredient, contributing roasted, nutty notes typical of pyrazines. In perfumery and cosmetic formulations it serves as a fragrance ingredient; in flavor applications it may be evaluated for aroma enhancement. It can also be incorporated into household products and cleaning products to impart specific odor profiles. In industrial manufacturing it may function as an intermediate in organic synthesis for specialty chemicals. Related uses include incorporation into polymers and plastics and coatings/inks as a fragrance additive or odor modifier, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.89
    methanol 80.56
    isopropanol 24.03
    water 2.64
    ethyl acetate 36.86
    n-propanol 29.34
    acetone 49.55
    n-butanol 29.84
    acetonitrile 52.86
    DMF 248.55
    toluene 20.5
    isobutanol 24.0
    1,4-dioxane 57.19
    methyl acetate 43.89
    THF 66.85
    2-butanone 35.83
    n-pentanol 27.63
    sec-butanol 20.76
    n-hexane 1.46
    ethylene glycol 46.26
    NMP 281.88
    cyclohexane 4.45
    DMSO 245.82
    n-butyl acetate 27.07
    n-octanol 12.72
    chloroform 113.7
    n-propyl acetate 24.75
    acetic acid 128.15
    dichloromethane 179.53
    cyclohexanone 88.56
    propylene glycol 25.55
    isopropyl acetate 18.91
    DMAc 231.35
    2-ethoxyethanol 64.3
    isopentanol 27.23
    n-heptane 2.0
    ethyl formate 59.25
    1,2-dichloroethane 104.55
    n-hexanol 23.24
    2-methoxyethanol 127.01
    isobutyl acetate 14.51
    tetrachloromethane 12.92
    n-pentyl acetate 18.47
    transcutol 106.18
    n-heptanol 13.46
    ethylbenzene 13.72
    MIBK 18.65
    2-propoxyethanol 54.46
    tert-butanol 28.47
    MTBE 16.54
    2-butoxyethanol 34.91
    propionic acid 57.49
    o-xylene 22.35
    formic acid 109.93
    diethyl ether 15.0
    m-xylene 16.08
    p-xylene 20.4
    chlorobenzene 61.01
    dimethyl carbonate 33.52
    n-octane 1.0
    formamide 136.27
    cyclopentanone 83.46
    2-pentanone 26.56
    anisole 31.84
    cyclopentyl methyl ether 29.02
    gamma-butyrolactone 134.24
    1-methoxy-2-propanol 64.19
    pyridine 102.25
    3-pentanone 25.82
    furfural 209.16
    n-dodecane 1.32
    diethylene glycol 78.57
    diisopropyl ether 4.86
    tert-amyl alcohol 26.35
    acetylacetone 41.73
    n-hexadecane 1.53
    acetophenone 48.36
    methyl propionate 45.6
    isopentyl acetate 25.28
    trichloroethylene 208.77
    n-nonanol 11.87
    cyclohexanol 37.8
    benzyl alcohol 52.61
    2-ethylhexanol 18.15
    isooctanol 12.18
    dipropyl ether 11.83
    1,2-dichlorobenzene 67.12
    ethyl lactate 29.37
    propylene carbonate 86.4
    n-methylformamide 119.99
    2-pentanol 14.81
    n-pentane 1.71
    1-propoxy-2-propanol 33.9
    1-methoxy-2-propyl acetate 35.13
    2-(2-methoxypropoxy) propanol 39.76
    mesitylene 11.86
    ε-caprolactone 80.46
    p-cymene 13.77
    epichlorohydrin 120.08
    1,1,1-trichloroethane 48.12
    2-aminoethanol 50.0
    morpholine-4-carbaldehyde 172.0
    sulfolane 210.68
    2,2,4-trimethylpentane 1.91
    2-methyltetrahydrofuran 43.19
    n-hexyl acetate 26.06
    isooctane 1.14
    2-(2-butoxyethoxy)ethanol 48.62
    sec-butyl acetate 14.44
    tert-butyl acetate 19.33
    decalin 3.55
    glycerin 67.81
    diglyme 88.75
    acrylic acid 82.6
    isopropyl myristate 10.87
    n-butyric acid 62.25
    acetyl acetate 31.33
    di(2-ethylhexyl) phthalate 22.31
    ethyl propionate 25.32
    nitromethane 164.31
    1,2-diethoxyethane 25.4
    benzonitrile 72.1
    trioctyl phosphate 14.53
    1-bromopropane 32.57
    gamma-valerolactone 132.69
    n-decanol 9.59
    triethyl phosphate 22.93
    4-methyl-2-pentanol 11.04
    propionitrile 47.22
    vinylene carbonate 108.29
    1,1,2-trichlorotrifluoroethane 157.62
    DMS 34.18
    cumene 12.65
    2-octanol 8.46
    2-hexanone 23.06
    octyl acetate 15.05
    limonene 18.1
    1,2-dimethoxyethane 88.39
    ethyl orthosilicate 19.53
    tributyl phosphate 17.93
    diacetone alcohol 34.6
    N,N-dimethylaniline 31.63
    acrylonitrile 90.88
    aniline 50.21
    1,3-propanediol 58.94
    bromobenzene 55.15
    dibromomethane 88.33
    1,1,2,2-tetrachloroethane 149.51
    2-methyl-cyclohexyl acetate 25.67
    tetrabutyl urea 27.26
    diisobutyl methanol 11.08
    2-phenylethanol 39.79
    styrene 19.05
    dioctyl adipate 22.22
    dimethyl sulfate 77.85
    ethyl butyrate 25.6
    methyl lactate 49.23
    butyl lactate 24.57
    diethyl carbonate 26.29
    propanediol butyl ether 33.1
    triethyl orthoformate 22.65
    p-tert-butyltoluene 11.93
    methyl 4-tert-butylbenzoate 40.38
    morpholine 71.52
    tert-butylamine 16.43
    n-dodecanol 7.9
    dimethoxymethane 68.38
    ethylene carbonate 74.59
    cyrene 57.69
    2-ethoxyethyl acetate 27.59
    2-ethylhexyl acetate 20.26
    1,2,4-trichlorobenzene 80.49
    4-methylpyridine 86.42
    dibutyl ether 10.74
    2,6-dimethyl-4-heptanol 11.08
    DEF 75.94
    dimethyl isosorbide 66.53
    tetrachloroethylene 97.09
    eugenol 47.14
    triacetin 32.4
    span 80 32.61
    1,4-butanediol 32.7
    1,1-dichloroethane 55.53
    2-methyl-1-pentanol 27.91
    methyl formate 101.02
    2-methyl-1-butanol 25.66
    n-decane 1.67
    butyronitrile 48.58
    3,7-dimethyl-1-octanol 14.74
    1-chlorooctane 8.19
    1-chlorotetradecane 4.43
    n-nonane 1.41
    undecane 1.47
    tert-butylcyclohexane 2.6
    cyclooctane 1.6
    cyclopentanol 38.17
    tetrahydropyran 37.45
    tert-amyl methyl ether 17.83
    2,5,8-trioxanonane 71.23
    1-hexene 6.68
    2-isopropoxyethanol 35.63
    2,2,2-trifluoroethanol 62.65
    methyl butyrate 38.58

    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