2-Ethyl-3-methylthiopyrazine

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  • Identifiers

    CAS number
    72987-62-3

    Molecular formula
    C7H10N2S

    SMILES
    CCC1=NC=CN=C1SC

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 84.81%
    Roasted 76.12%
    Green 69.66%
    Vegetable 67.29%
    Meaty 65.54%
    Earthy 65.34%
    Musty 55.59%
    Cocoa 53.66%
    Potato 51.99%
    Hazelnut 51.54%

     

    Flavor
    Nutty 71.74%
    Green 58.76%
    Roasted 51.52%
    Vegetable 50.24%
    Earthy 49.02%
    Meaty 45.37%
    Potato 43.2%
    Hazelnut 40.02%
    Coffee 38.68%
    Roast 38.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    4.15 (weak acid)

    Molecular weight
    154.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    238°C

    Flash point

    • 102.35 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-Ethyl-3-(methylthio)pyrazine
    • 72987-62-3
    • 2-(Methylthio)-3-ethylpyrazine
    • 2-Ethyl-3-methylthiopyrazine
    • Pyrazine, 2-ethyl-3-(methylthio)-
    • 3-ethyl-2-methylthiopyrazine
    • 2-ethyl-3-methylsulfanylpyrazine
    • 2-Ethyl-3-(methylsulfanyl)pyrazine
    • UNII-D7F04498AY
    • D7F04498AY
    • EINECS 277-191-4
    • 3-ethyl-2-(methylthio)pyrazine
    • DTXSID7072701
    • FEMA NO. 4631
    • Pyrazine, 3-ethyl-2-(methylthio)
    • MFCD00038027
    • SCHEMBL301725
    • 2-ethyl-3-methylthio pyrazine
    • DTXCID5047455
    • 2-Ethyl-3-(methylsulfanyl)pyrazine #
    • AKOS006343700
    • FS-1048
    • DB-055708
    • CS-0455335
    • E0719
    • NS00022732
    • D90558
    • Q27276209

  • Applications

    2-Ethyl-3-methylthiopyrazine (CAS 72987-62-3) is a sulfur-containing heterocyclic compound in the thiopyrazine family, commonly used as an odorant in fragrance and flavor applications to impart roasted or nutty notes; it is also evaluated as a fragrance component in cosmetics and personal care, in household products such as air fresheners and cleaners, and serves as an industrial synthesis intermediate for building other heterocyclic compounds and related aroma derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 479.53
    methanol 690.23
    isopropanol 296.96
    water 4.96
    ethyl acetate 994.92
    n-propanol 381.71
    acetone 1556.88
    n-butanol 353.28
    acetonitrile 1249.87
    DMF 1670.88
    toluene 576.9
    isobutanol 289.64
    1,4-dioxane 1508.86
    methyl acetate 857.14
    THF 1776.72
    2-butanone 905.14
    n-pentanol 297.44
    sec-butanol 283.64
    n-hexane 84.86
    ethylene glycol 190.37
    NMP 1926.38
    cyclohexane 167.1
    DMSO 2253.53
    n-butyl acetate 882.36
    n-octanol 226.13
    chloroform 2917.14
    n-propyl acetate 707.16
    acetic acid 935.43
    dichloromethane 3493.0
    cyclohexanone 1800.18
    propylene glycol 151.35
    isopropyl acetate 554.12
    DMAc 1010.65
    2-ethoxyethanol 573.2
    isopentanol 291.19
    n-heptane 88.35
    ethyl formate 918.42
    1,2-dichloroethane 2151.76
    n-hexanol 333.93
    2-methoxyethanol 855.56
    isobutyl acetate 396.01
    tetrachloromethane 707.09
    n-pentyl acetate 572.36
    transcutol 1245.25
    n-heptanol 206.87
    ethylbenzene 281.32
    MIBK 439.53
    2-propoxyethanol 625.31
    tert-butanol 329.0
    MTBE 405.68
    2-butoxyethanol 420.55
    propionic acid 570.93
    o-xylene 343.4
    formic acid 396.26
    diethyl ether 656.31
    m-xylene 381.45
    p-xylene 400.19
    chlorobenzene 1265.32
    dimethyl carbonate 467.26
    n-octane 47.36
    formamide 599.48
    cyclopentanone 2163.95
    2-pentanone 807.35
    anisole 555.7
    cyclopentyl methyl ether 883.05
    gamma-butyrolactone 2540.74
    1-methoxy-2-propanol 559.35
    pyridine 1602.84
    3-pentanone 657.97
    furfural 2270.08
    n-dodecane 37.85
    diethylene glycol 505.7
    diisopropyl ether 208.13
    tert-amyl alcohol 296.88
    acetylacetone 1140.56
    n-hexadecane 44.58
    acetophenone 595.41
    methyl propionate 761.0
    isopentyl acetate 616.45
    trichloroethylene 3880.76
    n-nonanol 189.0
    cyclohexanol 431.63
    benzyl alcohol 428.4
    2-ethylhexanol 260.27
    isooctanol 176.57
    dipropyl ether 422.3
    1,2-dichlorobenzene 1194.6
    ethyl lactate 272.93
    propylene carbonate 1276.11
    n-methylformamide 1061.23
    2-pentanol 224.56
    n-pentane 78.29
    1-propoxy-2-propanol 450.61
    1-methoxy-2-propyl acetate 606.44
    2-(2-methoxypropoxy) propanol 291.07
    mesitylene 265.2
    ε-caprolactone 1406.89
    p-cymene 233.73
    epichlorohydrin 2261.9
    1,1,1-trichloroethane 1838.22
    2-aminoethanol 263.86
    morpholine-4-carbaldehyde 1696.01
    sulfolane 3214.43
    2,2,4-trimethylpentane 53.64
    2-methyltetrahydrofuran 1274.64
    n-hexyl acetate 621.03
    isooctane 41.05
    2-(2-butoxyethoxy)ethanol 416.96
    sec-butyl acetate 380.25
    tert-butyl acetate 532.09
    decalin 96.4
    glycerin 255.9
    diglyme 999.48
    acrylic acid 636.5
    isopropyl myristate 216.42
    n-butyric acid 789.55
    acetyl acetate 720.14
    di(2-ethylhexyl) phthalate 212.6
    ethyl propionate 557.27
    nitromethane 2186.01
    1,2-diethoxyethane 696.39
    benzonitrile 1032.69
    trioctyl phosphate 182.58
    1-bromopropane 863.64
    gamma-valerolactone 2377.65
    n-decanol 143.64
    triethyl phosphate 279.53
    4-methyl-2-pentanol 142.91
    propionitrile 827.29
    vinylene carbonate 1395.3
    1,1,2-trichlorotrifluoroethane 1369.46
    DMS 555.57
    cumene 199.38
    2-octanol 178.16
    2-hexanone 587.86
    octyl acetate 275.61
    limonene 317.61
    1,2-dimethoxyethane 1095.18
    ethyl orthosilicate 257.36
    tributyl phosphate 232.2
    diacetone alcohol 461.55
    N,N-dimethylaniline 359.94
    acrylonitrile 1225.54
    aniline 609.7
    1,3-propanediol 378.57
    bromobenzene 1504.75
    dibromomethane 2063.35
    1,1,2,2-tetrachloroethane 2630.23
    2-methyl-cyclohexyl acetate 392.66
    tetrabutyl urea 298.89
    diisobutyl methanol 167.97
    2-phenylethanol 433.48
    styrene 420.34
    dioctyl adipate 296.69
    dimethyl sulfate 858.89
    ethyl butyrate 586.3
    methyl lactate 348.22
    butyl lactate 366.29
    diethyl carbonate 407.92
    propanediol butyl ether 343.69
    triethyl orthoformate 379.97
    p-tert-butyltoluene 210.63
    methyl 4-tert-butylbenzoate 406.01
    morpholine 1311.09
    tert-butylamine 217.46
    n-dodecanol 114.86
    dimethoxymethane 1037.65
    ethylene carbonate 1132.71
    cyrene 389.34
    2-ethoxyethyl acetate 697.22
    2-ethylhexyl acetate 541.4
    1,2,4-trichlorobenzene 1291.1
    4-methylpyridine 1469.67
    dibutyl ether 355.45
    2,6-dimethyl-4-heptanol 167.97
    DEF 976.33
    dimethyl isosorbide 713.5
    tetrachloroethylene 1928.44
    eugenol 433.11
    triacetin 479.9
    span 80 298.73
    1,4-butanediol 215.56
    1,1-dichloroethane 1613.76
    2-methyl-1-pentanol 252.25
    methyl formate 1102.48
    2-methyl-1-butanol 288.49
    n-decane 57.64
    butyronitrile 916.87
    3,7-dimethyl-1-octanol 194.09
    1-chlorooctane 245.2
    1-chlorotetradecane 103.09
    n-nonane 58.92
    undecane 45.25
    tert-butylcyclohexane 81.59
    cyclooctane 67.69
    cyclopentanol 560.26
    tetrahydropyran 1153.35
    tert-amyl methyl ether 351.95
    2,5,8-trioxanonane 574.36
    1-hexene 250.38
    2-isopropoxyethanol 378.1
    2,2,2-trifluoroethanol 428.34
    methyl butyrate 774.57

    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