2,5-Dimethylpyrazine

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  • Identifiers

    CAS number
    123-32-0

    Molecular formula
    C6H8N2

    SMILES
    CC1=CN=C(C=N1)C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 902.0
    • Carbowax: 1302.0

  • Odor profile

    Nutty 88.15%
    Roasted 83.38%
    Cocoa 74.03%
    Hazelnut 68.36%
    Coffee 65.62%
    Musty 64.84%
    Earthy 61.61%
    Chocolate 61.02%
    Potato 58.02%
    Burnt 53.99%

    Scent© AI

  • Properties

    XLogP3-AA
    0.6

    Molecular weight
    108.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 15 °C

    Boiling point

    • 154.00 to 156.00 °C. @ 760.00 mm Hg

    Flash point est.
    59.93 ˚C

    Solubility expt.

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

  • Synonyms

    • 2,5-DIMETHYLPYRAZINE
    • 123-32-0
    • 2,5-Dimethyl pyrazine
    • Pyrazine, 2,5-dimethyl-
    • 2,5-Dimethyl-1,4-diazine
    • 2,5-Dimethylpiazine
    • NSC 49139
    • 2,5-Dimethylparadiazine
    • FEMA No. 3272
    • CCRIS 2929
    • 2,5-Dimethyl-pyrazine
    • Ketine
    • 2,5-Dimethylpyrazine (natural)
    • UNII-V99Y0MUY1Q
    • EINECS 204-618-3
    • V99Y0MUY1Q
    • PYRAZINE,2,5-DIMETHYL
    • AI3-60303
    • pyrazine, 2,5-dimethyl
    • MFCD00006147
    • NSC-49139
    • DTXSID6047652
    • CHEBI:89762
    • 2,5-DIMETHYLPYRAZINE [FCC]
    • 2,5-DIMETHYLPYRAZINE [FHFI]
    • 2.5-dimethylpyrazine
    • 2,5Dimethylparadiazine
    • 2, 5-Dimethylpyrazine
    • Pyrazine, 2,5dimethyl
    • 2,5Dimethyl1,4diazine
    • SCHEMBL82304
    • 2,5-Dimethylpyrazine, 98%
    • CHEMBL94709
    • 2,5Dimethylpyrazine (natural)
    • DTXCID4027652
    • FEMA 3272
    • WLN: T6N DNJ B1 E1
    • 2,5 and 2,6-dimethyl pyrazine
    • 2,5-Dimethylpyrazine (Standard)
    • BCP08618
    • NSC49139
    • HY-34439R
    • 2,5-Dimethylpyrazine, >=98%, FG
    • AKOS003368403
    • CS-W019957
    • NCGC00184236-01
    • NCGC00184236-02
    • 2,5-Dimethylpyrazine, analytical standard
    • AC-10703
    • AS-17251
    • HY-34439
    • DB-003236
    • 2,5-Dimethylpyrazine (contains 2,6-isomer)
    • D1526
    • D2171
    • NS00012335
    • S3108
    • 2,5-DIOXA-8-AZA-SPIRO[3,5]NONANE
    • EN300-20206
    • 2,5-dimethylpyrazine and 2,6-dimethylpyrazine
    • P19770
    • Q27161950
    • F0001-0364
    • Z104477264
    • 204-618-3
    • 25R

  • Applications

    2,5-Dimethylpyrazine (CAS 123-32-0) is a renowned flavor ingredient with the characteristic roasted aroma of coffee, cocoa, cereals and nuts, therefore widely employed as a taste enhancer in instant coffee, chocolate, confectionery, baked goods, soups, seasonings, meat products, beverages, tobacco and pet food; it also serves as a precursor for pharmaceuticals and agrochemicals, an odor modifier in perfumery, an odorant standard for Maillard-reaction studies and sensor materials, and a versatile intermediate for constructing pyrazine scaffolds in organic synthesis.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 140.29
    methanol 229.51
    isopropanol 116.03
    water 9.65
    ethyl acetate 108.54
    n-propanol 132.35
    acetone 161.49
    n-butanol 117.77
    acetonitrile 101.31
    DMF 336.68
    toluene 63.09
    isobutanol 112.29
    1,4-dioxane 162.11
    methyl acetate 140.56
    THF 221.99
    2-butanone 168.05
    n-pentanol 86.51
    sec-butanol 119.29
    n-hexane 17.53
    ethylene glycol 68.75
    NMP 280.64
    cyclohexane 13.68
    DMSO 258.95
    n-butyl acetate 75.2
    n-octanol 52.18
    chloroform 319.56
    n-propyl acetate 57.5
    acetic acid 109.09
    dichloromethane 290.42
    cyclohexanone 163.78
    propylene glycol 90.5
    isopropyl acetate 66.51
    DMAc 376.44
    2-ethoxyethanol 116.43
    isopentanol 97.26
    n-heptane 14.58
    ethyl formate 110.7
    1,2-dichloroethane 138.32
    n-hexanol 87.81
    2-methoxyethanol 230.25
    isobutyl acetate 47.47
    tetrachloromethane 68.81
    n-pentyl acetate 58.65
    transcutol 211.56
    n-heptanol 53.56
    ethylbenzene 40.53
    MIBK 73.03
    2-propoxyethanol 139.37
    tert-butanol 119.69
    MTBE 112.07
    2-butoxyethanol 95.88
    propionic acid 118.72
    o-xylene 59.56
    formic acid 73.05
    diethyl ether 81.37
    m-xylene 50.96
    p-xylene 61.59
    chlorobenzene 97.88
    dimethyl carbonate 60.42
    n-octane 8.55
    formamide 72.67
    cyclopentanone 214.05
    2-pentanone 107.8
    anisole 88.31
    cyclopentyl methyl ether 111.97
    gamma-butyrolactone 219.51
    1-methoxy-2-propanol 174.47
    pyridine 139.74
    3-pentanone 99.39
    furfural 260.96
    n-dodecane 8.5
    diethylene glycol 112.46
    diisopropyl ether 28.89
    tert-amyl alcohol 121.72
    acetylacetone 118.45
    n-hexadecane 9.13
    acetophenone 88.44
    methyl propionate 111.12
    isopentyl acetate 72.71
    trichloroethylene 276.09
    n-nonanol 46.48
    cyclohexanol 86.93
    benzyl alcohol 86.0
    2-ethylhexanol 60.85
    isooctanol 44.71
    dipropyl ether 52.39
    1,2-dichlorobenzene 103.0
    ethyl lactate 55.05
    propylene carbonate 133.58
    n-methylformamide 156.11
    2-pentanol 77.61
    n-pentane 15.45
    1-propoxy-2-propanol 106.68
    1-methoxy-2-propyl acetate 83.99
    2-(2-methoxypropoxy) propanol 89.56
    mesitylene 33.22
    ε-caprolactone 142.54
    p-cymene 37.06
    epichlorohydrin 217.69
    1,1,1-trichloroethane 163.18
    2-aminoethanol 108.42
    morpholine-4-carbaldehyde 258.12
    sulfolane 273.72
    2,2,4-trimethylpentane 16.3
    2-methyltetrahydrofuran 173.29
    n-hexyl acetate 82.14
    isooctane 9.13
    2-(2-butoxyethoxy)ethanol 109.36
    sec-butyl acetate 45.37
    tert-butyl acetate 65.77
    decalin 15.0
    glycerin 121.41
    diglyme 183.83
    acrylic acid 114.16
    isopropyl myristate 35.83
    n-butyric acid 128.49
    acetyl acetate 72.7
    di(2-ethylhexyl) phthalate 47.71
    ethyl propionate 61.94
    nitromethane 169.51
    1,2-diethoxyethane 81.16
    benzonitrile 95.07
    trioctyl phosphate 33.8
    1-bromopropane 101.4
    gamma-valerolactone 251.65
    n-decanol 37.87
    triethyl phosphate 40.32
    4-methyl-2-pentanol 50.33
    propionitrile 98.75
    vinylene carbonate 139.08
    1,1,2-trichlorotrifluoroethane 201.9
    DMS 71.22
    cumene 35.23
    2-octanol 39.85
    2-hexanone 79.34
    octyl acetate 50.81
    limonene 47.97
    1,2-dimethoxyethane 176.7
    ethyl orthosilicate 40.07
    tributyl phosphate 40.33
    diacetone alcohol 98.63
    N,N-dimethylaniline 75.41
    acrylonitrile 122.77
    aniline 98.13
    1,3-propanediol 120.05
    bromobenzene 99.13
    dibromomethane 186.69
    1,1,2,2-tetrachloroethane 230.8
    2-methyl-cyclohexyl acetate 56.61
    tetrabutyl urea 54.25
    diisobutyl methanol 37.85
    2-phenylethanol 80.74
    styrene 48.36
    dioctyl adipate 51.73
    dimethyl sulfate 118.71
    ethyl butyrate 58.8
    methyl lactate 93.66
    butyl lactate 61.88
    diethyl carbonate 43.01
    propanediol butyl ether 95.79
    triethyl orthoformate 47.38
    p-tert-butyltoluene 35.06
    methyl 4-tert-butylbenzoate 82.93
    morpholine 169.02
    tert-butylamine 76.75
    n-dodecanol 30.91
    dimethoxymethane 150.93
    ethylene carbonate 104.09
    cyrene 96.63
    2-ethoxyethyl acetate 78.98
    2-ethylhexyl acetate 59.7
    1,2,4-trichlorobenzene 133.24
    4-methylpyridine 166.38
    dibutyl ether 56.72
    2,6-dimethyl-4-heptanol 37.85
    DEF 162.83
    dimethyl isosorbide 134.85
    tetrachloroethylene 154.12
    eugenol 89.15
    triacetin 77.88
    span 80 80.14
    1,4-butanediol 61.65
    1,1-dichloroethane 170.0
    2-methyl-1-pentanol 82.98
    methyl formate 130.98
    2-methyl-1-butanol 108.74
    n-decane 12.07
    butyronitrile 99.3
    3,7-dimethyl-1-octanol 55.42
    1-chlorooctane 39.31
    1-chlorotetradecane 18.86
    n-nonane 12.08
    undecane 9.88
    tert-butylcyclohexane 17.04
    cyclooctane 6.9
    cyclopentanol 117.03
    tetrahydropyran 123.87
    tert-amyl methyl ether 99.82
    2,5,8-trioxanonane 133.19
    1-hexene 47.92
    2-isopropoxyethanol 86.05
    2,2,2-trifluoroethanol 65.97
    methyl butyrate 89.18

    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
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Chicory root, roasted 2 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 4.35%
Chicory root, roasted 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.19%
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.16%