Pyrazineethanethiol

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  • Identifiers

    CAS number
    35250-53-4

    Molecular formula
    C6H8N2S

    SMILES
    C1=CN=C(C=N1)CCS

    Safety labels

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Meaty 86.87%
    Roasted 83.64%
    Sulfurous 75.74%
    Nutty 58.71%
    Beefy 56.6%
    Coffee 55.55%
    Burnt 55.13%
    Savory 52.23%
    Cooked 48.24%
    Hazelnut 35.16%

     

    Flavor
    Roasted 61.1%
    Meaty 50.65%
    Sulfury 47.78%
    Coffee 47.59%
    Sulfurous 38.16%
    Roast 37.42%
    Nutty 33.63%
    Vegetable 32.9%
    Sulfur 31.9%
    Fatty 31.45%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    4.0 (weak acid)

    Molecular weight
    140.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 105.00 to 110.00 °C. @ 20.00 mm Hg

    Flash point

    • 106.89 ˚C est.

    Solubility expt.

    • slightly
    • soluble in water, organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • Pyrazineethanethiol
    • 35250-53-4
    • 2-Pyrazinylethanethiol
    • (2-Mercaptoethyl)pyrazine
    • 2-(pyrazin-2-yl)ethanethiol
    • 2-pyrazin-2-ylethanethiol
    • 2-Pyrazineethanethiol
    • pyrazine ethanethiol
    • Mercaptoethylpyrazine
    • 2-(2-Mercaptoethyl)pyrazine
    • 2-Pyrazinylethylmercaptan
    • Pyrazinyl ethanethiol
    • FEMA 3230
    • FEMA No. 3230
    • Ethanethiol, 2-pyrazinyl-
    • UNII-F7I6G0E56F
    • BRN 0774932
    • F7I6G0E56F
    • DTXSID2025977
    • 2-(pyrazin-2-yl)ethane-1-thiol
    • PYRAZINYLETHYLMERCAPTAN
    • DTXCID205977
    • PYRAZINE ETHANETHIOL [FHFI]
    • 5-23-11-00173 (Beilstein Handbook Reference)
    • MFCD00053160
    • 2-pyrazineethane thiol
    • 2-Pyrazinyl-Ethanethiol
    • 2-Pyrazinyl-ethyl mercaptan
    • SCHEMBL978915
    • CHEMBL3186300
    • Pyrazineethanethiol, >=97%, FG
    • Tox21_302691
    • AKOS015856580
    • NCGC00256675-01
    • CAS-35250-53-4
    • M1845
    • NS00124695
    • T72349
    • EN300-1699993
    • Q27277768

  • Applications

    Pyrazineethanethiol (CAS 35250-53-4) is a sulfur-containing pyrazine flavour compound widely employed to recreate roasted, coffee, cocoa, baked bread, grilled meat, nutty and umami notes in savoury foods; in trace amounts it is added to seasonings, sauces, instant soups, snacks, animal feed, fishing bait, e-cigarette liquids and personal-care fragrances to intensify flavour depth and mask off-notes, while also serving as a key intermediate for semi-synthetic natural aroma ingredients, a reference standard in GC/MS analysis, and a research probe for Maillard-derived aroma formation mechanisms.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 91.4
    methanol 171.49
    isopropanol 47.49
    water 12.13
    ethyl acetate 39.76
    n-propanol 64.29
    acetone 81.18
    n-butanol 53.28
    acetonitrile 94.13
    DMF 347.82
    toluene 41.17
    isobutanol 44.37
    1,4-dioxane 116.57
    methyl acetate 52.59
    THF 114.4
    2-butanone 58.56
    n-pentanol 51.03
    sec-butanol 40.51
    n-hexane 3.37
    ethylene glycol 69.93
    NMP 264.04
    cyclohexane 11.26
    DMSO 447.78
    n-butyl acetate 47.54
    n-octanol 27.57
    chloroform 222.01
    n-propyl acetate 35.9
    acetic acid 184.48
    dichloromethane 266.81
    cyclohexanone 121.42
    propylene glycol 39.53
    isopropyl acetate 21.04
    DMAc 227.4
    2-ethoxyethanol 88.51
    isopentanol 37.87
    n-heptane 9.43
    ethyl formate 64.19
    1,2-dichloroethane 126.8
    n-hexanol 50.43
    2-methoxyethanol 132.82
    isobutyl acetate 24.7
    tetrachloromethane 38.12
    n-pentyl acetate 30.11
    transcutol 203.08
    n-heptanol 28.76
    ethylbenzene 19.46
    MIBK 23.39
    2-propoxyethanol 85.73
    tert-butanol 45.32
    MTBE 21.23
    2-butoxyethanol 56.58
    propionic acid 87.19
    o-xylene 34.36
    formic acid 123.73
    diethyl ether 27.96
    m-xylene 27.59
    p-xylene 31.44
    chlorobenzene 81.38
    dimethyl carbonate 31.02
    n-octane 3.49
    formamide 133.69
    cyclopentanone 123.15
    2-pentanone 39.11
    anisole 44.08
    cyclopentyl methyl ether 52.41
    gamma-butyrolactone 141.87
    1-methoxy-2-propanol 75.79
    pyridine 166.27
    3-pentanone 36.49
    furfural 207.73
    n-dodecane 3.76
    diethylene glycol 105.23
    diisopropyl ether 8.64
    tert-amyl alcohol 34.94
    acetylacetone 48.26
    n-hexadecane 4.22
    acetophenone 55.16
    methyl propionate 45.66
    isopentyl acetate 35.53
    trichloroethylene 224.59
    n-nonanol 24.43
    cyclohexanol 56.49
    benzyl alcohol 64.49
    2-ethylhexanol 32.89
    isooctanol 23.1
    dipropyl ether 36.25
    1,2-dichlorobenzene 70.64
    ethyl lactate 32.63
    propylene carbonate 83.66
    n-methylformamide 148.05
    2-pentanol 26.54
    n-pentane 4.76
    1-propoxy-2-propanol 60.16
    1-methoxy-2-propyl acetate 44.42
    2-(2-methoxypropoxy) propanol 56.52
    mesitylene 18.18
    ε-caprolactone 90.02
    p-cymene 22.79
    epichlorohydrin 135.67
    1,1,1-trichloroethane 79.44
    2-aminoethanol 73.92
    morpholine-4-carbaldehyde 199.73
    sulfolane 206.31
    2,2,4-trimethylpentane 3.22
    2-methyltetrahydrofuran 77.85
    n-hexyl acetate 35.97
    isooctane 2.38
    2-(2-butoxyethoxy)ethanol 75.49
    sec-butyl acetate 19.94
    tert-butyl acetate 21.18
    decalin 5.97
    glycerin 79.54
    diglyme 144.11
    acrylic acid 107.51
    isopropyl myristate 17.62
    n-butyric acid 77.93
    acetyl acetate 32.55
    di(2-ethylhexyl) phthalate 30.83
    ethyl propionate 29.53
    nitromethane 186.2
    1,2-diethoxyethane 54.68
    benzonitrile 96.56
    trioctyl phosphate 20.96
    1-bromopropane 57.46
    gamma-valerolactone 152.96
    n-decanol 19.87
    triethyl phosphate 27.6
    4-methyl-2-pentanol 16.17
    propionitrile 70.35
    vinylene carbonate 100.19
    1,1,2-trichlorotrifluoroethane 144.6
    DMS 38.15
    cumene 16.1
    2-octanol 17.8
    2-hexanone 36.34
    octyl acetate 24.19
    limonene 30.41
    1,2-dimethoxyethane 119.03
    ethyl orthosilicate 26.23
    tributyl phosphate 24.89
    diacetone alcohol 37.52
    N,N-dimethylaniline 40.84
    acrylonitrile 109.08
    aniline 71.64
    1,3-propanediol 73.56
    bromobenzene 75.95
    dibromomethane 161.41
    1,1,2,2-tetrachloroethane 165.0
    2-methyl-cyclohexyl acetate 37.42
    tetrabutyl urea 40.37
    diisobutyl methanol 19.54
    2-phenylethanol 54.0
    styrene 28.27
    dioctyl adipate 33.44
    dimethyl sulfate 63.95
    ethyl butyrate 42.69
    methyl lactate 43.56
    butyl lactate 36.64
    diethyl carbonate 34.45
    propanediol butyl ether 55.15
    triethyl orthoformate 34.7
    p-tert-butyltoluene 19.49
    methyl 4-tert-butylbenzoate 46.89
    morpholine 117.86
    tert-butylamine 27.47
    n-dodecanol 16.94
    dimethoxymethane 86.78
    ethylene carbonate 70.47
    cyrene 71.12
    2-ethoxyethyl acetate 42.33
    2-ethylhexyl acetate 30.14
    1,2,4-trichlorobenzene 82.88
    4-methylpyridine 125.08
    dibutyl ether 26.94
    2,6-dimethyl-4-heptanol 19.54
    DEF 82.29
    dimethyl isosorbide 87.69
    tetrachloroethylene 127.5
    eugenol 59.77
    triacetin 46.11
    span 80 54.74
    1,4-butanediol 47.78
    1,1-dichloroethane 89.98
    2-methyl-1-pentanol 39.33
    methyl formate 105.49
    2-methyl-1-butanol 37.92
    n-decane 5.13
    butyronitrile 70.3
    3,7-dimethyl-1-octanol 25.48
    1-chlorooctane 18.43
    1-chlorotetradecane 9.61
    n-nonane 4.73
    undecane 4.26
    tert-butylcyclohexane 4.83
    cyclooctane 3.86
    cyclopentanol 66.76
    tetrahydropyran 80.46
    tert-amyl methyl ether 20.09
    2,5,8-trioxanonane 110.75
    1-hexene 13.69
    2-isopropoxyethanol 53.05
    2,2,2-trifluoroethanol 71.61
    methyl butyrate 44.16

    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