2-(Hexylthio)-3-methylpyrazine

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  • Identifiers

    CAS number
    73972-65-3

    Molecular formula
    C11H18N2S

    SMILES
    CCCCCCSC1=NC=CN=C1C

    Safety labels

  • Odor profile

    Fragrance
    Roasted 73.82%
    Meaty 67.81%
    Nutty 63.39%
    Vegetable 49.57%
    Green 44.81%
    Earthy 41.1%
    Burnt 37.31%
    Savory 35.79%
    Fatty 35.26%
    Sulfurous 33.62%

     

    Flavor
    Green 57.23%
    Earthy 37.15%
    Roasted 36.56%
    Pepper 36.39%
    Herbal 33.79%
    Meaty 31.29%
    Vegetable 29.83%
    Metallic 25.99%
    Tomato leaf 24.2%
    Syrup 23.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    5.04 (weak acid)

    Molecular weight
    210.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    327°C

    Flash point

    • 153.74 ˚C est.

  • Synonyms

    • 2-(Hexylthio)-3-methylpyrazine
    • Pyrazine, 2-(hexylthio)-3-methyl-
    • O64TNP0SB6
    • NSC 222766
    • UNII-O64TNP0SB6
    • NSC-222766
    • DTXSID20224721
    • RefChem:84737
    • DTXCID50147212
    • 73972-65-3
    • 2-(hexylsulfanyl)-3-methylpyrazine
    • NSC222766
    • SCHEMBL22067176
    • 73972-65-3

  • Applications

    2-(Hexylthio)-3-methylpyrazine (CAS 73972-65-3) is primarily used as an aroma and flavor ingredient, serving as an odorant and flavor modifier in fragrance and food-related applications, and as a synthetic building block for other pyrazine derivatives in specialty chemical manufacturing; it is also evaluated for cosmetics and personal care uses as a fragrance component, for household products and cleaners as an odor-active additive, and in coatings and inks to impart fragrance or odor characteristics, supporting industrial production and aroma research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2666.78
    methanol 2459.9
    isopropanol 1561.93
    water 0.09
    ethyl acetate 5745.75
    n-propanol 2123.98
    acetone 10087.22
    n-butanol 1904.12
    acetonitrile 4561.51
    DMF 7646.32
    toluene 2487.31
    isobutanol 1399.85
    1,4-dioxane 5132.29
    methyl acetate 3809.11
    THF 6399.7
    2-butanone 5635.04
    n-pentanol 1063.87
    sec-butanol 1318.21
    n-hexane 111.35
    ethylene glycol 270.72
    NMP 5218.3
    cyclohexane 536.36
    DMSO 10609.4
    n-butyl acetate 3819.08
    n-octanol 264.51
    chloroform 7371.48
    n-propyl acetate 2389.9
    acetic acid 2808.17
    dichloromethane 10051.66
    cyclohexanone 9173.55
    propylene glycol 440.59
    isopropyl acetate 2505.43
    DMAc 4374.97
    2-ethoxyethanol 1887.91
    isopentanol 1396.83
    n-heptane 100.3
    ethyl formate 3115.83
    1,2-dichloroethane 8354.26
    n-hexanol 1110.1
    2-methoxyethanol 4072.58
    isobutyl acetate 1145.07
    tetrachloromethane 1175.24
    n-pentyl acetate 1428.58
    transcutol 6398.27
    n-heptanol 328.19
    ethylbenzene 562.96
    MIBK 1753.27
    2-propoxyethanol 2077.71
    tert-butanol 1599.63
    MTBE 2300.27
    2-butoxyethanol 812.16
    propionic acid 1745.29
    o-xylene 948.74
    formic acid 605.66
    diethyl ether 3771.54
    m-xylene 1070.58
    p-xylene 755.85
    chlorobenzene 3427.41
    dimethyl carbonate 1022.79
    n-octane 33.19
    formamide 1534.7
    cyclopentanone 7547.95
    2-pentanone 4886.05
    anisole 1242.35
    cyclopentyl methyl ether 3552.61
    gamma-butyrolactone 6419.33
    1-methoxy-2-propanol 2266.38
    pyridine 6521.78
    3-pentanone 3211.88
    furfural 5150.47
    n-dodecane 24.16
    diethylene glycol 1186.15
    diisopropyl ether 618.64
    tert-amyl alcohol 1260.97
    acetylacetone 4933.93
    n-hexadecane 30.22
    acetophenone 1262.8
    methyl propionate 3342.26
    isopentyl acetate 2389.09
    trichloroethylene 12675.47
    n-nonanol 240.04
    cyclohexanol 2173.37
    benzyl alcohol 1096.6
    2-ethylhexanol 640.86
    isooctanol 270.71
    dipropyl ether 1251.28
    1,2-dichlorobenzene 2526.43
    ethyl lactate 484.21
    propylene carbonate 2932.76
    n-methylformamide 3538.22
    2-pentanol 1044.25
    n-pentane 135.37
    1-propoxy-2-propanol 1457.05
    1-methoxy-2-propyl acetate 2361.09
    2-(2-methoxypropoxy) propanol 640.4
    mesitylene 535.05
    ε-caprolactone 5225.43
    p-cymene 360.51
    epichlorohydrin 7826.75
    1,1,1-trichloroethane 5852.64
    2-aminoethanol 770.92
    morpholine-4-carbaldehyde 4675.35
    sulfolane 7048.65
    2,2,4-trimethylpentane 74.08
    2-methyltetrahydrofuran 5306.01
    n-hexyl acetate 1317.09
    isooctane 53.68
    2-(2-butoxyethoxy)ethanol 1088.56
    sec-butyl acetate 1289.77
    tert-butyl acetate 2114.9
    decalin 133.67
    glycerin 565.15
    diglyme 2818.66
    acrylic acid 1359.82
    isopropyl myristate 368.19
    n-butyric acid 3490.28
    acetyl acetate 2404.83
    di(2-ethylhexyl) phthalate 343.25
    ethyl propionate 1625.79
    nitromethane 7404.83
    1,2-diethoxyethane 3257.63
    benzonitrile 2302.3
    trioctyl phosphate 248.94
    1-bromopropane 3555.18
    gamma-valerolactone 8721.1
    n-decanol 175.69
    triethyl phosphate 461.45
    4-methyl-2-pentanol 448.44
    propionitrile 2666.0
    vinylene carbonate 2525.39
    1,1,2-trichlorotrifluoroethane 3569.25
    DMS 1062.01
    cumene 293.44
    2-octanol 238.58
    2-hexanone 2175.1
    octyl acetate 487.61
    limonene 706.68
    1,2-dimethoxyethane 3941.53
    ethyl orthosilicate 477.97
    tributyl phosphate 399.26
    diacetone alcohol 1645.1
    N,N-dimethylaniline 610.47
    acrylonitrile 3338.01
    aniline 2526.21
    1,3-propanediol 1390.27
    bromobenzene 4030.6
    dibromomethane 6311.49
    1,1,2,2-tetrachloroethane 8645.51
    2-methyl-cyclohexyl acetate 893.26
    tetrabutyl urea 519.01
    diisobutyl methanol 335.08
    2-phenylethanol 1004.88
    styrene 976.84
    dioctyl adipate 533.79
    dimethyl sulfate 1596.77
    ethyl butyrate 1801.39
    methyl lactate 792.51
    butyl lactate 761.57
    diethyl carbonate 889.67
    propanediol butyl ether 681.26
    triethyl orthoformate 925.68
    p-tert-butyltoluene 323.18
    methyl 4-tert-butylbenzoate 598.6
    morpholine 6438.17
    tert-butylamine 878.24
    n-dodecanol 137.02
    dimethoxymethane 3815.93
    ethylene carbonate 2487.17
    cyrene 672.21
    2-ethoxyethyl acetate 2278.89
    2-ethylhexyl acetate 1812.34
    1,2,4-trichlorobenzene 2762.53
    4-methylpyridine 6430.92
    dibutyl ether 776.79
    2,6-dimethyl-4-heptanol 335.08
    DEF 4998.6
    dimethyl isosorbide 1488.34
    tetrachloroethylene 5091.77
    eugenol 640.84
    triacetin 924.09
    span 80 587.16
    1,4-butanediol 469.37
    1,1-dichloroethane 6468.73
    2-methyl-1-pentanol 894.32
    methyl formate 2541.97
    2-methyl-1-butanol 1309.09
    n-decane 39.93
    butyronitrile 3408.22
    3,7-dimethyl-1-octanol 340.49
    1-chlorooctane 300.64
    1-chlorotetradecane 108.42
    n-nonane 38.88
    undecane 29.81
    tert-butylcyclohexane 102.91
    cyclooctane 109.59
    cyclopentanol 1740.94
    tetrahydropyran 6342.31
    tert-amyl methyl ether 1395.57
    2,5,8-trioxanonane 1335.37
    1-hexene 653.51
    2-isopropoxyethanol 1011.54
    2,2,2-trifluoroethanol 733.34
    methyl butyrate 2663.58

    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