2-Pyrazinecarboxylic acid

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  • Identifiers

    CAS number
    98-97-5

    Molecular formula
    C5H4N2O2

    SMILES
    C1=CN=C(C=N1)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 63.48%
    Nutty 51.72%
    Roasted 43.98%
    Burnt 34.51%
    Popcorn 34.12%
    Cooked 25.54%
    Meaty 24.38%
    Coffee 24.28%
    Caramellic 24.08%
    Musty 23.76%

     

    Flavor
    Nutty 57.75%
    Odorless 51.91%
    Popcorn 37.4%
    Sour 31.2%
    Bitter 30.48%
    Mild 29.38%
    Bread 28.62%
    Musty 28.13%
    Corn 27.75%
    Chip 27.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    6.21 (neutral)

    Molecular weight
    124.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    300°C

    Flash point

    • 155.23 ˚C est.

  • Synonyms

    • Pyrazine-2-carboxylic acid
    • 2-Pyrazinecarboxylic acid
    • 98-97-5
    • pyrazinoic acid
    • pyrazinecarboxylic acid
    • Paradiazinecarboxylic acid
    • pyrazinemonocarboxylic acid
    • NSC-13146
    • DTXSID30243367
    • 2WB23298SP
    • CHEBI:71311
    • RefChem:177455
    • CHEBI:48345
    • DTXCID30165858
    • 202-718-1
    • Pyrazinic acid
    • 2-Carboxypyrazine
    • 2-Pyrazine carboxylic acid
    • 2-Pyrazinoic acid
    • MFCD00006130
    • Piazinecarboxylic acid
    • pyrazinoate
    • PYRAZINE CARBOXYLIC ACID
    • NSC 13146
    • pyrazin-2-carboxylic acid
    • CHEMBL613
    • MLS000069596
    • NSC13146
    • SMR000059041
    • Pyrazine-2-carboxylicacid
    • pyrazinoicacid
    • Pyrazoic acid
    • UNII-2WB23298SP
    • 2-pyrazinic acid
    • Pyrazine-2-carboxylic Acid; Pyrazinamide Imp. A (EP); Pyrazinamide Impurity A
    • VGL
    • EINECS 202-718-1
    • 2-Pyrazinecarboxylic
    • Pyrazinamide Impurity A
    • pyrazine-carboxylic acid
    • Opera_ID_935
    • pyrazine 2-carboxylic acid
    • 2- carboxylic acid pyrazine
    • SCHEMBL23757
    • PYRAZINOIC ACID [MI]
    • Pyrazinecarboxylic acid, 99%
    • orb1310486
    • SCHEMBL2439990
    • SCHEMBL2536804
    • SCHEMBL3278665
    • SCHEMBL7408842
    • SCHEMBL29651929
    • NIPZZXUFJPQHNH-UHFFFAOYSA-
    • HMS2234J12
    • HMS3371F05
    • 1,4-DIAZINECARBOXYLIC ACID
    • BB_SC-05383
    • CS-M0892
    • NSC27192
    • STR06281
    • BDBM50216541
    • CX1040
    • EBC-03185
    • NSC-27192
    • SBB000051
    • STK802305
    • AKOS000119670
    • AC-2442
    • FP15650
    • PB27363
    • PS-3389
    • BP-30070
    • HY-76353
    • SY001166
    • DB-025265
    • NS00041381
    • P0940
    • ST50213930
    • EN300-19900
    • C19915
    • Pyrazinecarboxylic acid, purum, >=98.0% (T)
    • AB-131/40186434
    • F066244
    • Q7263414
    • F2191-0112
    • Z104476002
    • InChI=1/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
    • Pyrazinamide EP Impurity A(2-Pyrazinecarboxylic Acid)(Discontinued,See C4X-14123)
    • 98-97-5

  • Applications

    2-Pyrazinecarboxylic acid serves as a versatile building block in organic synthesis, commonly used as an intermediate for heterocyclic pharmaceutical scaffolds and for the development of pyrazine-based agrochemicals. In materials science, it is employed as a precursor for polymers and high-performance resins that include pyrazine units, and as a ligand or linker in coordination chemistry for metal complexes, MOFs, and catalytic systems. It may also be used as a synthetic precursor to pyrazine-based fragrance ingredients, reflecting the role of pyrazine derivatives in aroma compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.88
    methanol 3.53
    isopropanol 1.8
    water 6.64
    ethyl acetate 1.44
    n-propanol 2.01
    acetone 2.14
    n-butanol 2.04
    acetonitrile 0.85
    DMF 104.41
    toluene 0.67
    isobutanol 2.16
    1,4-dioxane 2.84
    methyl acetate 1.92
    THF 9.65
    2-butanone 3.1
    n-pentanol 2.76
    sec-butanol 2.08
    n-hexane 0.22
    ethylene glycol 7.87
    NMP 192.94
    cyclohexane 0.08
    DMSO 191.66
    n-butyl acetate 4.42
    n-octanol 1.78
    chloroform 1.17
    n-propyl acetate 2.34
    acetic acid 2.6
    dichloromethane 2.26
    cyclohexanone 8.83
    propylene glycol 3.92
    isopropyl acetate 1.83
    DMAc 135.42
    2-ethoxyethanol 11.12
    isopentanol 3.21
    n-heptane 0.49
    ethyl formate 3.95
    1,2-dichloroethane 2.83
    n-hexanol 4.2
    2-methoxyethanol 17.0
    isobutyl acetate 1.3
    tetrachloromethane 0.76
    n-pentyl acetate 2.68
    transcutol 11.75
    n-heptanol 3.25
    ethylbenzene 0.88
    MIBK 3.57
    2-propoxyethanol 14.37
    tert-butanol 4.33
    MTBE 1.56
    2-butoxyethanol 9.84
    propionic acid 3.82
    o-xylene 1.61
    formic acid 11.87
    diethyl ether 0.54
    m-xylene 1.4
    p-xylene 1.37
    chlorobenzene 0.97
    dimethyl carbonate 4.03
    n-octane 0.17
    formamide 15.2
    cyclopentanone 12.7
    2-pentanone 2.87
    anisole 2.38
    cyclopentyl methyl ether 4.02
    gamma-butyrolactone 22.63
    1-methoxy-2-propanol 12.83
    pyridine 4.17
    3-pentanone 2.44
    furfural 28.68
    n-dodecane 0.14
    diethylene glycol 21.33
    diisopropyl ether 0.62
    tert-amyl alcohol 4.74
    acetylacetone 4.5
    n-hexadecane 0.15
    acetophenone 6.31
    methyl propionate 3.83
    isopentyl acetate 4.43
    trichloroethylene 3.91
    n-nonanol 1.88
    cyclohexanol 2.38
    benzyl alcohol 3.98
    2-ethylhexanol 3.5
    isooctanol 3.1
    dipropyl ether 2.45
    1,2-dichlorobenzene 2.1
    ethyl lactate 6.03
    propylene carbonate 10.23
    n-methylformamide 22.95
    2-pentanol 1.66
    n-pentane 0.14
    1-propoxy-2-propanol 10.62
    1-methoxy-2-propyl acetate 8.07
    2-(2-methoxypropoxy) propanol 11.64
    mesitylene 1.47
    ε-caprolactone 9.4
    p-cymene 2.14
    epichlorohydrin 13.09
    1,1,1-trichloroethane 1.31
    2-aminoethanol 7.64
    morpholine-4-carbaldehyde 60.96
    sulfolane 87.81
    2,2,4-trimethylpentane 0.23
    2-methyltetrahydrofuran 4.62
    n-hexyl acetate 2.41
    isooctane 0.2
    2-(2-butoxyethoxy)ethanol 11.08
    sec-butyl acetate 1.7
    tert-butyl acetate 2.88
    decalin 0.24
    glycerin 16.59
    diglyme 21.19
    acrylic acid 5.23
    isopropyl myristate 1.48
    n-butyric acid 4.18
    acetyl acetate 1.28
    di(2-ethylhexyl) phthalate 3.44
    ethyl propionate 3.09
    nitromethane 8.11
    1,2-diethoxyethane 2.3
    benzonitrile 4.16
    trioctyl phosphate 2.85
    1-bromopropane 1.14
    gamma-valerolactone 27.52
    n-decanol 1.63
    triethyl phosphate 4.78
    4-methyl-2-pentanol 2.15
    propionitrile 1.81
    vinylene carbonate 8.18
    1,1,2-trichlorotrifluoroethane 23.53
    DMS 3.38
    cumene 1.3
    2-octanol 1.73
    2-hexanone 3.37
    octyl acetate 2.05
    limonene 2.39
    1,2-dimethoxyethane 15.9
    ethyl orthosilicate 3.86
    tributyl phosphate 2.89
    diacetone alcohol 9.76
    N,N-dimethylaniline 5.35
    acrylonitrile 3.93
    aniline 1.91
    1,3-propanediol 6.71
    bromobenzene 0.79
    dibromomethane 1.35
    1,1,2,2-tetrachloroethane 4.98
    2-methyl-cyclohexyl acetate 4.16
    tetrabutyl urea 6.39
    diisobutyl methanol 2.66
    2-phenylethanol 5.05
    styrene 0.71
    dioctyl adipate 2.83
    dimethyl sulfate 23.63
    ethyl butyrate 4.4
    methyl lactate 10.48
    butyl lactate 5.87
    diethyl carbonate 3.14
    propanediol butyl ether 8.05
    triethyl orthoformate 4.0
    p-tert-butyltoluene 1.99
    methyl 4-tert-butylbenzoate 8.62
    morpholine 5.55
    tert-butylamine 2.12
    n-dodecanol 1.3
    dimethoxymethane 11.74
    ethylene carbonate 5.86
    cyrene 18.13
    2-ethoxyethyl acetate 3.35
    2-ethylhexyl acetate 3.44
    1,2,4-trichlorobenzene 2.62
    4-methylpyridine 5.77
    dibutyl ether 1.06
    2,6-dimethyl-4-heptanol 2.66
    DEF 18.43
    dimethyl isosorbide 19.56
    tetrachloroethylene 3.58
    eugenol 9.87
    triacetin 3.73
    span 80 6.68
    1,4-butanediol 5.65
    1,1-dichloroethane 1.06
    2-methyl-1-pentanol 3.49
    methyl formate 12.16
    2-methyl-1-butanol 2.93
    n-decane 0.18
    butyronitrile 2.1
    3,7-dimethyl-1-octanol 2.31
    1-chlorooctane 0.66
    1-chlorotetradecane 0.39
    n-nonane 0.16
    undecane 0.16
    tert-butylcyclohexane 0.27
    cyclooctane 0.09
    cyclopentanol 3.92
    tetrahydropyran 1.19
    tert-amyl methyl ether 2.57
    2,5,8-trioxanonane 18.33
    1-hexene 0.57
    2-isopropoxyethanol 6.75
    2,2,2-trifluoroethanol 5.46
    methyl butyrate 5.4

    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