2-Methyl-5-(methylthio)pyrazine

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  • Identifiers

    CAS number
    2884-14-2

    Molecular formula
    C6H8N2S

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

  • Odor profile

    Fragrance
    Nutty 84.39%
    Roasted 83.43%
    Meaty 73.45%
    Coffee 58.06%
    Hazelnut 57.28%
    Cocoa 52.88%
    Burnt 50.14%
    Earthy 48.43%
    Musty 47.32%
    Vegetable 46.46%

     

    Flavor
    Nutty 59.75%
    Roasted 58.61%
    Coffee 50.36%
    Roast 43.28%
    Meaty 43.09%
    Vegetable 40.01%
    Potato 39.73%
    Cocoa 39.32%
    Sulfury 35.37%
    Hazelnut 34.59%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    3.3 (weak acid)

    Molecular weight
    140.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    234°C

    Flash point

    • 106.97 ˚C est.

  • Synonyms

    • 2-Methyl-5-(methylthio)pyrazine
    • 2884-14-2
    • 2-Methylthio-5-methylpyrazine
    • Pyrazine, 2-methyl-5-(methylthio)-
    • 2-methyl-5-methylsulfanylpyrazine
    • 2-Methyl-5-methylsulfanyl-pyrazine
    • 2-METHYL-5-(METHYLSULFANYL)PYRAZINE
    • FEMA no. 3208, 5-(methylthio)-
    • SAY592831S
    • DTXCID2027705
    • Pyrazine, 2-methyl-5-methylthio
    • DTXSID401026142
    • UNII-SAY592831S
    • 5-Methyl-2-(methylthio)pyrazine
    • SCHEMBL891368
    • CHEMBL3188120
    • DTXSID4047707
    • Tox21_302591
    • AKOS006271812
    • NCGC00256898-01
    • CAS-67952-65-2
    • Q27289116

  • Applications

    2-Methyl-5-(methylthio)pyrazine (CAS 2884-14-2) is primarily used as an aroma-active compound in perfumery and flavor applications, contributing roasted, nutty, and sulfurous notes; it is commonly evaluated as an odorant for fragrances in cosmetics and household products; it can serve as a synthetic building block for the preparation of other pyrazine-based aroma compounds in industrial manufacturing; it may find use as a fragrance component in cosmetics/personal care and in food processing contexts where permitted; and it is often considered a key intermediate in the synthesis of related heterocyclic aroma compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 133.96
    methanol 156.75
    isopropanol 88.55
    water 3.82
    ethyl acetate 79.53
    n-propanol 107.43
    acetone 139.45
    n-butanol 95.62
    acetonitrile 187.12
    DMF 231.64
    toluene 101.17
    isobutanol 78.93
    1,4-dioxane 227.82
    methyl acetate 106.83
    THF 296.09
    2-butanone 126.73
    n-pentanol 85.75
    sec-butanol 85.56
    n-hexane 9.24
    ethylene glycol 41.17
    NMP 243.88
    cyclohexane 41.9
    DMSO 320.2
    n-butyl acetate 107.03
    n-octanol 56.99
    chloroform 497.8
    n-propyl acetate 68.93
    acetic acid 206.55
    dichloromethane 516.93
    cyclohexanone 238.96
    propylene glycol 49.94
    isopropyl acetate 39.34
    DMAc 220.59
    2-ethoxyethanol 115.9
    isopentanol 71.78
    n-heptane 21.22
    ethyl formate 135.72
    1,2-dichloroethane 202.34
    n-hexanol 95.51
    2-methoxyethanol 161.43
    isobutyl acetate 43.42
    tetrachloromethane 84.61
    n-pentyl acetate 66.61
    transcutol 255.81
    n-heptanol 58.47
    ethylbenzene 49.94
    MIBK 43.27
    2-propoxyethanol 126.35
    tert-butanol 89.14
    MTBE 53.71
    2-butoxyethanol 96.41
    propionic acid 119.18
    o-xylene 68.45
    formic acid 93.96
    diethyl ether 59.18
    m-xylene 54.03
    p-xylene 82.59
    chlorobenzene 161.79
    dimethyl carbonate 34.53
    n-octane 8.12
    formamide 135.26
    cyclopentanone 260.17
    2-pentanone 75.13
    anisole 88.04
    cyclopentyl methyl ether 106.53
    gamma-butyrolactone 274.59
    1-methoxy-2-propanol 102.57
    pyridine 330.65
    3-pentanone 61.69
    furfural 369.66
    n-dodecane 7.88
    diethylene glycol 94.74
    diisopropyl ether 16.78
    tert-amyl alcohol 82.56
    acetylacetone 75.18
    n-hexadecane 8.95
    acetophenone 92.98
    methyl propionate 69.51
    isopentyl acetate 80.77
    trichloroethylene 428.25
    n-nonanol 49.08
    cyclohexanol 114.72
    benzyl alcohol 101.81
    2-ethylhexanol 66.49
    isooctanol 44.52
    dipropyl ether 72.06
    1,2-dichlorobenzene 138.59
    ethyl lactate 44.36
    propylene carbonate 159.8
    n-methylformamide 152.08
    2-pentanol 54.37
    n-pentane 12.66
    1-propoxy-2-propanol 97.85
    1-methoxy-2-propyl acetate 71.09
    2-(2-methoxypropoxy) propanol 80.67
    mesitylene 29.06
    ε-caprolactone 181.09
    p-cymene 44.43
    epichlorohydrin 265.25
    1,1,1-trichloroethane 186.3
    2-aminoethanol 72.45
    morpholine-4-carbaldehyde 223.85
    sulfolane 302.35
    2,2,4-trimethylpentane 6.95
    2-methyltetrahydrofuran 202.63
    n-hexyl acetate 78.51
    isooctane 4.18
    2-(2-butoxyethoxy)ethanol 110.12
    sec-butyl acetate 37.89
    tert-butyl acetate 40.18
    decalin 13.74
    glycerin 72.13
    diglyme 210.4
    acrylic acid 123.75
    isopropyl myristate 33.58
    n-butyric acid 144.89
    acetyl acetate 59.62
    di(2-ethylhexyl) phthalate 49.47
    ethyl propionate 52.14
    nitromethane 266.52
    1,2-diethoxyethane 102.43
    benzonitrile 176.55
    trioctyl phosphate 34.35
    1-bromopropane 115.68
    gamma-valerolactone 293.93
    n-decanol 38.97
    triethyl phosphate 45.01
    4-methyl-2-pentanol 31.16
    propionitrile 141.26
    vinylene carbonate 195.83
    1,1,2-trichlorotrifluoroethane 202.47
    DMS 52.62
    cumene 33.93
    2-octanol 38.49
    2-hexanone 73.82
    octyl acetate 47.25
    limonene 58.18
    1,2-dimethoxyethane 187.19
    ethyl orthosilicate 44.82
    tributyl phosphate 40.39
    diacetone alcohol 61.02
    N,N-dimethylaniline 70.01
    acrylonitrile 189.38
    aniline 143.57
    1,3-propanediol 92.12
    bromobenzene 162.11
    dibromomethane 315.5
    1,1,2,2-tetrachloroethane 308.1
    2-methyl-cyclohexyl acetate 74.0
    tetrabutyl urea 56.52
    diisobutyl methanol 34.57
    2-phenylethanol 101.04
    styrene 70.1
    dioctyl adipate 56.7
    dimethyl sulfate 62.7
    ethyl butyrate 86.23
    methyl lactate 48.89
    butyl lactate 58.98
    diethyl carbonate 68.6
    propanediol butyl ether 77.43
    triethyl orthoformate 67.67
    p-tert-butyltoluene 36.78
    methyl 4-tert-butylbenzoate 76.71
    morpholine 233.88
    tert-butylamine 56.94
    n-dodecanol 31.71
    dimethoxymethane 102.04
    ethylene carbonate 135.64
    cyrene 103.47
    2-ethoxyethyl acetate 84.72
    2-ethylhexyl acetate 71.15
    1,2,4-trichlorobenzene 163.49
    4-methylpyridine 261.9
    dibutyl ether 63.94
    2,6-dimethyl-4-heptanol 34.57
    DEF 107.97
    dimethyl isosorbide 136.46
    tetrachloroethylene 212.48
    eugenol 88.53
    triacetin 74.87
    span 80 82.68
    1,4-butanediol 52.56
    1,1-dichloroethane 185.99
    2-methyl-1-pentanol 72.12
    methyl formate 126.93
    2-methyl-1-butanol 73.41
    n-decane 11.83
    butyronitrile 158.46
    3,7-dimethyl-1-octanol 47.1
    1-chlorooctane 41.32
    1-chlorotetradecane 18.1
    n-nonane 11.22
    undecane 9.36
    tert-butylcyclohexane 10.64
    cyclooctane 10.36
    cyclopentanol 142.04
    tetrahydropyran 206.17
    tert-amyl methyl ether 46.36
    2,5,8-trioxanonane 156.23
    1-hexene 40.14
    2-isopropoxyethanol 75.07
    2,2,2-trifluoroethanol 80.17
    methyl butyrate 83.77

    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