2-Methylthio-3,5-methylpyrazine

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  • Identifiers

    CAS number
    67952-65-2

    Molecular formula
    C7H10N2S

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

  • Odor profile

    Fragrance
    Roasted 80.57%
    Nutty 75.54%
    Meaty 67.09%
    Hazelnut 55.4%
    Coffee 54.07%
    Burnt 51.29%
    Earthy 50.42%
    Cocoa 49.74%
    Potato 43.54%
    Musty 42.94%

     

    Flavor
    Roasted 63.33%
    Nutty 59.34%
    Coffee 50.69%
    Meaty 49.37%
    Roast 48.3%
    Potato 45.47%
    Cocoa 45.1%
    Earthy 42.51%
    Hazelnut 41.86%
    Burnt 40.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    3.56 (weak acid)

    Molecular weight
    154.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    242°C

    Flash point

    • 106.81 ˚C est.

  • Synonyms

    • 67952-65-2
    • 2-METHYLTHIO-3,5-METHYLPYRAZINE
    • 2-Methylthio-3 (or 5 or 6)-Methylpyrazine
    • 2-Methyl-3(or5or6)-methylthiopyrazine
    • 3,5-DIMETHYL-2-(METHYLSULFANYL)PYRAZINE
    • 2-Methylthio-3(6)-methyl-pyrazine
    • 3,5-dimethyl-2-methylsulfanylpyrazine
    • Pyrazine,methyl(methylthio)-
    • SCHEMBL20079404
    • WVLCKAWPCLTOOS-UHFFFAOYSA-N
    • AKOS006281031
    • 2-methyl thio-3,5 or 6-methyl pyrazine
    • AS-65236
    • D95700

  • Applications

    (Methylthio)methylpyrazine (CAS 67952-65-2) is a sulfur-substituted pyrazine with an intense roasted coffee, peanut and grilled-meat note, widely utilized as a flavour ingredient in instant coffee, cocoa and chocolate, baked goods, breakfast cereals, instant soups, dry seasoning blends, BBQ sauces, snack coatings, plant-based meat analogues, pet foods and energy drinks; owing to its ultra-low odour threshold and excellent thermal stability it is typically dosed at parts-per-billion levels to deepen “roasted/savoury” profiles, delivering sulphur–pyrazine synergy with other Maillard volatiles while also serving as a sensory calibration standard, a marker in roasting studies, and a versatile intermediate for synthesising higher-value aroma chemicals, all under FEMA GRAS, EU Flavis 16.125 and ISO flavour additive regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 566.97
    methanol 824.2
    isopropanol 285.51
    water 6.0
    ethyl acetate 482.32
    n-propanol 400.92
    acetone 662.17
    n-butanol 375.79
    acetonitrile 723.93
    DMF 645.68
    toluene 414.57
    isobutanol 279.9
    1,4-dioxane 992.98
    methyl acetate 429.22
    THF 1263.23
    2-butanone 466.8
    n-pentanol 301.3
    sec-butanol 287.29
    n-hexane 98.61
    ethylene glycol 110.39
    NMP 870.45
    cyclohexane 255.32
    DMSO 761.08
    n-butyl acetate 564.7
    n-octanol 182.45
    chloroform 1815.4
    n-propyl acetate 341.34
    acetic acid 583.12
    dichloromethane 2171.56
    cyclohexanone 875.29
    propylene glycol 97.92
    isopropyl acetate 234.05
    DMAc 505.53
    2-ethoxyethanol 379.16
    isopentanol 263.07
    n-heptane 134.06
    ethyl formate 536.73
    1,2-dichloroethane 923.22
    n-hexanol 365.23
    2-methoxyethanol 545.64
    isobutyl acetate 192.31
    tetrachloromethane 437.48
    n-pentyl acetate 307.05
    transcutol 722.05
    n-heptanol 176.15
    ethylbenzene 193.19
    MIBK 200.84
    2-propoxyethanol 471.99
    tert-butanol 264.46
    MTBE 271.27
    2-butoxyethanol 271.88
    propionic acid 327.56
    o-xylene 215.74
    formic acid 284.74
    diethyl ether 482.55
    m-xylene 211.33
    p-xylene 288.31
    chlorobenzene 617.88
    dimethyl carbonate 180.31
    n-octane 50.22
    formamide 359.18
    cyclopentanone 906.18
    2-pentanone 385.72
    anisole 332.01
    cyclopentyl methyl ether 511.51
    gamma-butyrolactone 1026.32
    1-methoxy-2-propanol 305.93
    pyridine 970.8
    3-pentanone 324.74
    furfural 1052.88
    n-dodecane 36.52
    diethylene glycol 291.54
    diisopropyl ether 117.35
    tert-amyl alcohol 241.66
    acetylacetone 366.05
    n-hexadecane 41.65
    acetophenone 318.66
    methyl propionate 350.44
    isopentyl acetate 378.41
    trichloroethylene 1579.87
    n-nonanol 155.24
    cyclohexanol 392.71
    benzyl alcohol 283.15
    2-ethylhexanol 249.35
    isooctanol 134.33
    dipropyl ether 383.36
    1,2-dichlorobenzene 537.24
    ethyl lactate 135.75
    propylene carbonate 570.45
    n-methylformamide 490.33
    2-pentanol 199.35
    n-pentane 105.51
    1-propoxy-2-propanol 331.58
    1-methoxy-2-propyl acetate 333.2
    2-(2-methoxypropoxy) propanol 200.07
    mesitylene 132.38
    ε-caprolactone 671.18
    p-cymene 179.48
    epichlorohydrin 972.41
    1,1,1-trichloroethane 832.54
    2-aminoethanol 194.2
    morpholine-4-carbaldehyde 701.14
    sulfolane 983.55
    2,2,4-trimethylpentane 40.37
    2-methyltetrahydrofuran 901.67
    n-hexyl acetate 352.69
    isooctane 25.63
    2-(2-butoxyethoxy)ethanol 291.39
    sec-butyl acetate 182.83
    tert-butyl acetate 208.72
    decalin 78.65
    glycerin 132.13
    diglyme 616.13
    acrylic acid 322.3
    isopropyl myristate 143.76
    n-butyric acid 459.56
    acetyl acetate 296.11
    di(2-ethylhexyl) phthalate 145.83
    ethyl propionate 274.41
    nitromethane 822.66
    1,2-diethoxyethane 479.31
    benzonitrile 548.97
    trioctyl phosphate 117.76
    1-bromopropane 561.97
    gamma-valerolactone 996.58
    n-decanol 119.85
    triethyl phosphate 170.21
    4-methyl-2-pentanol 105.94
    propionitrile 539.96
    vinylene carbonate 626.4
    1,1,2-trichlorotrifluoroethane 543.96
    DMS 253.14
    cumene 135.96
    2-octanol 134.18
    2-hexanone 332.93
    octyl acetate 183.85
    limonene 264.03
    1,2-dimethoxyethane 732.43
    ethyl orthosilicate 169.8
    tributyl phosphate 153.28
    diacetone alcohol 197.74
    N,N-dimethylaniline 230.24
    acrylonitrile 583.0
    aniline 378.7
    1,3-propanediol 282.99
    bromobenzene 702.92
    dibromomethane 1301.37
    1,1,2,2-tetrachloroethane 1021.37
    2-methyl-cyclohexyl acetate 275.36
    tetrabutyl urea 189.65
    diisobutyl methanol 126.32
    2-phenylethanol 321.02
    styrene 266.41
    dioctyl adipate 194.55
    dimethyl sulfate 219.52
    ethyl butyrate 399.19
    methyl lactate 142.75
    butyl lactate 192.93
    diethyl carbonate 270.28
    propanediol butyl ether 193.17
    triethyl orthoformate 269.27
    p-tert-butyltoluene 153.28
    methyl 4-tert-butylbenzoate 229.25
    morpholine 928.33
    tert-butylamine 203.56
    n-dodecanol 97.6
    dimethoxymethane 503.27
    ethylene carbonate 509.94
    cyrene 245.84
    2-ethoxyethyl acetate 362.22
    2-ethylhexyl acetate 346.42
    1,2,4-trichlorobenzene 547.14
    4-methylpyridine 810.14
    dibutyl ether 286.72
    2,6-dimethyl-4-heptanol 126.32
    DEF 436.25
    dimethyl isosorbide 426.0
    tetrachloroethylene 797.77
    eugenol 241.86
    triacetin 259.28
    span 80 208.56
    1,4-butanediol 148.3
    1,1-dichloroethane 803.25
    2-methyl-1-pentanol 251.54
    methyl formate 503.77
    2-methyl-1-butanol 258.6
    n-decane 58.9
    butyronitrile 617.31
    3,7-dimethyl-1-octanol 158.55
    1-chlorooctane 178.44
    1-chlorotetradecane 78.86
    n-nonane 63.37
    undecane 43.95
    tert-butylcyclohexane 60.39
    cyclooctane 74.34
    cyclopentanol 452.22
    tetrahydropyran 953.98
    tert-amyl methyl ether 218.26
    2,5,8-trioxanonane 400.85
    1-hexene 241.89
    2-isopropoxyethanol 230.19
    2,2,2-trifluoroethanol 216.18
    methyl butyrate 390.68

    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