2,3,5-Trimethyl-6-[4-(methylthio)butyl]pyrazine

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  • Identifiers

    CAS number
    92233-83-5

    Molecular formula
    C12H20N2S

    SMILES
    CC1=C(N=C(C(=N1)C)CCCCSC)C

    Safety labels

  • Odor profile

    Fragrance
    Roasted 70.85%
    Meaty 61.45%
    Nutty 59.62%
    Burnt 49.26%
    Earthy 41.03%
    Coffee 39.37%
    Hazelnut 38.2%
    Cooked 37.15%
    Cocoa 34.12%
    Potato 33.23%

     

    Flavor
    Roasted 42.97%
    Meaty 40.83%
    Earthy 38.73%
    Burnt 36.83%
    Green 30.64%
    Vegetable 29.53%
    Sulfury 29.22%
    Sulfurous 27.79%
    Potato 25.46%
    Pepper 24.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    5.11 (weak acid)

    Molecular weight
    224.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    332°C

    Flash point

    • 133.49 ˚C est.

  • Synonyms

    • KXV8927HYH
    • 92233-83-5
    • 2,3,5-trimethyl-6-(4-methylsulfanylbutyl)pyrazine
    • 2,3,5-Trimethyl-6-(4-(methylthio)butyl)pyrazine
    • Pyrazine, 2,3,5-trimethyl-6-(4-(methylthio)butyl)-
    • 2,3,5-Trimethyl-6-[4-(methylthio)butyl]pyrazine
    • RefChem:197305
    • UNII-KXV8927HYH
    • DTXSID30757772
    • CHEBI:174160
    • 2,3,5-trimethyl-6-(4-methylsulanylbutyl)pyrazine
    • 2,3,5-TRIMETHYL-6-[4-(METHYLSULFANYL)BUTYL]PYRAZINE
    • 92233-83-5

  • Applications

    2,3,5-Trimethyl-6-[4-(methylthio)butyl]pyrazine (CAS 92233-83-5) is primarily used as an odorant in perfumery, delivering roasted, nutty and savory notes characteristic of pyrazine derivatives; it may serve as a fragrance ingredient and can act as a minor fixative or scent modifier in cosmetics and personal care products. It is also evaluated as a flavor/aroma compound for targeted food applications where roasted or savory character is desired. In addition, it serves as an intermediate in the synthesis of more complex fragrance components, and can be found in household products and cleaners to contribute distinctive odor profiles. Depending on formulation and local regulations, its use is subject to limits and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 874.19
    methanol 905.73
    isopropanol 667.62
    water 0.44
    ethyl acetate 1964.19
    n-propanol 872.58
    acetone 2578.36
    n-butanol 884.68
    acetonitrile 1464.2
    DMF 2183.58
    toluene 1605.3
    isobutanol 785.24
    1,4-dioxane 2738.28
    methyl acetate 1544.86
    THF 3398.33
    2-butanone 1928.52
    n-pentanol 675.11
    sec-butanol 755.64
    n-hexane 326.31
    ethylene glycol 116.58
    NMP 2201.23
    cyclohexane 831.32
    DMSO 2265.28
    n-butyl acetate 1968.37
    n-octanol 471.11
    chloroform 5867.0
    n-propyl acetate 1257.05
    acetic acid 1061.63
    dichloromethane 5412.68
    cyclohexanone 3775.17
    propylene glycol 188.09
    isopropyl acetate 1173.91
    DMAc 1884.59
    2-ethoxyethanol 876.26
    isopentanol 841.83
    n-heptane 245.5
    ethyl formate 1272.39
    1,2-dichloroethane 3442.46
    n-hexanol 895.47
    2-methoxyethanol 1267.72
    isobutyl acetate 765.89
    tetrachloromethane 1301.94
    n-pentyl acetate 1242.69
    transcutol 2717.58
    n-heptanol 476.4
    ethylbenzene 628.22
    MIBK 908.17
    2-propoxyethanol 1135.25
    tert-butanol 825.81
    MTBE 1341.05
    2-butoxyethanol 738.54
    propionic acid 846.89
    o-xylene 862.71
    formic acid 243.07
    diethyl ether 1853.04
    m-xylene 907.44
    p-xylene 908.77
    chlorobenzene 2073.98
    dimethyl carbonate 627.48
    n-octane 112.09
    formamide 369.48
    cyclopentanone 3407.02
    2-pentanone 1728.89
    anisole 904.58
    cyclopentyl methyl ether 2024.04
    gamma-butyrolactone 3296.88
    1-methoxy-2-propanol 896.0
    pyridine 2583.89
    3-pentanone 1557.58
    furfural 2618.22
    n-dodecane 69.84
    diethylene glycol 565.8
    diisopropyl ether 548.54
    tert-amyl alcohol 772.95
    acetylacetone 1826.8
    n-hexadecane 85.2
    acetophenone 930.99
    methyl propionate 1386.24
    isopentyl acetate 1508.05
    trichloroethylene 5651.95
    n-nonanol 397.46
    cyclohexanol 1363.42
    benzyl alcohol 719.87
    2-ethylhexanol 673.88
    isooctanol 396.67
    dipropyl ether 1089.94
    1,2-dichlorobenzene 1773.95
    ethyl lactate 379.37
    propylene carbonate 1687.01
    n-methylformamide 988.19
    2-pentanol 667.55
    n-pentane 271.54
    1-propoxy-2-propanol 931.89
    1-methoxy-2-propyl acetate 1180.93
    2-(2-methoxypropoxy) propanol 500.49
    mesitylene 567.78
    ε-caprolactone 2549.58
    p-cymene 428.73
    epichlorohydrin 3244.71
    1,1,1-trichloroethane 3357.1
    2-aminoethanol 270.76
    morpholine-4-carbaldehyde 2012.13
    sulfolane 3305.28
    2,2,4-trimethylpentane 137.38
    2-methyltetrahydrofuran 2649.91
    n-hexyl acetate 1294.47
    isooctane 87.84
    2-(2-butoxyethoxy)ethanol 753.55
    sec-butyl acetate 795.6
    tert-butyl acetate 1080.66
    decalin 249.75
    glycerin 254.48
    diglyme 1653.84
    acrylic acid 720.21
    isopropyl myristate 434.49
    n-butyric acid 1502.27
    acetyl acetate 1283.04
    di(2-ethylhexyl) phthalate 357.49
    ethyl propionate 983.07
    nitromethane 1908.23
    1,2-diethoxyethane 1702.35
    benzonitrile 1408.09
    trioctyl phosphate 283.99
    1-bromopropane 1957.3
    gamma-valerolactone 3287.08
    n-decanol 286.57
    triethyl phosphate 426.83
    4-methyl-2-pentanol 373.15
    propionitrile 1261.86
    vinylene carbonate 1586.15
    1,1,2-trichlorotrifluoroethane 1713.19
    DMS 862.2
    cumene 397.52
    2-octanol 397.21
    2-hexanone 1218.52
    octyl acetate 543.77
    limonene 708.88
    1,2-dimethoxyethane 1860.58
    ethyl orthosilicate 434.97
    tributyl phosphate 388.69
    diacetone alcohol 779.5
    N,N-dimethylaniline 621.45
    acrylonitrile 1278.67
    aniline 1237.44
    1,3-propanediol 530.35
    bromobenzene 2471.38
    dibromomethane 3779.63
    1,1,2,2-tetrachloroethane 4476.12
    2-methyl-cyclohexyl acetate 746.84
    tetrabutyl urea 468.02
    diisobutyl methanol 350.25
    2-phenylethanol 751.61
    styrene 873.69
    dioctyl adipate 539.67
    dimethyl sulfate 854.6
    ethyl butyrate 1098.67
    methyl lactate 437.02
    butyl lactate 635.09
    diethyl carbonate 673.03
    propanediol butyl ether 537.99
    triethyl orthoformate 687.29
    p-tert-butyltoluene 384.69
    methyl 4-tert-butylbenzoate 639.4
    morpholine 2520.63
    tert-butylamine 589.63
    n-dodecanol 219.89
    dimethoxymethane 1525.2
    ethylene carbonate 1522.26
    cyrene 557.86
    2-ethoxyethyl acetate 1385.32
    2-ethylhexyl acetate 1333.22
    1,2,4-trichlorobenzene 1795.4
    4-methylpyridine 2635.78
    dibutyl ether 977.53
    2,6-dimethyl-4-heptanol 350.25
    DEF 1837.36
    dimethyl isosorbide 1039.68
    tetrachloroethylene 3107.57
    eugenol 614.1
    triacetin 819.68
    span 80 533.03
    1,4-butanediol 263.92
    1,1-dichloroethane 3089.71
    2-methyl-1-pentanol 665.25
    methyl formate 929.54
    2-methyl-1-butanol 867.89
    n-decane 134.48
    butyronitrile 1586.02
    3,7-dimethyl-1-octanol 445.62
    1-chlorooctane 578.69
    1-chlorotetradecane 192.22
    n-nonane 144.62
    undecane 90.89
    tert-butylcyclohexane 204.7
    cyclooctane 261.7
    cyclopentanol 1153.05
    tetrahydropyran 3134.45
    tert-amyl methyl ether 1000.15
    2,5,8-trioxanonane 897.84
    1-hexene 871.19
    2-isopropoxyethanol 613.78
    2,2,2-trifluoroethanol 419.62
    methyl butyrate 1423.85

    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