2-Furfuryl thiopyrazine

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  • Identifiers

    CAS number
    164352-93-6

    Molecular formula
    C9H8N2OS

    SMILES
    C1=COC(=C1)CSC2=NC=CN=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 80.41%
    Meaty 78.03%
    Nutty 73.13%
    Coffee 71.13%
    Sulfurous 67.34%
    Burnt 53.73%
    Earthy 46.5%
    Beefy 45.81%
    Cooked 45.04%
    Savory 44.97%

     

    Flavor
    Coffee 68.77%
    Roasted 68.66%
    Meaty 57.77%
    Sulfury 57.15%
    Nutty 55.87%
    Roast 47.33%
    Vegetable 41.88%
    Cooked 37.7%
    Earthy 35.05%
    Chocolate 34.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    3.01 (weak acid)

    Molecular weight
    192.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    348°C

    Flash point

    • 157.12 ˚C est.

  • Synonyms

    • 164352-93-6
    • 2-FURFURYL THIOPYRAZINE
    • DTXSID90374702
    • RefChem:261349
    • DTXCID70325732
    • 2-((Furan-2-ylmethyl)thio)pyrazine
    • 2-Furfurylthiopyrazine
    • 2-(furan-2-ylmethylsulfanyl)pyrazine
    • Pyrazine, 2-[(2-furanylmethyl)thio]-
    • 2-{[(furan-2-yl)methyl]sulfanyl}pyrazine
    • 2- Furfurylthiopyrazine
    • 2-(furfurylthio)pyrazine
    • SCHEMBL4226888
    • SCHEMBL30665030
    • 2-(2-furylmethylsulfanyl)pyrazine
    • AKOS006242563
    • FS-1214
    • DB-064531
    • CS-0270960
    • D95881
    • 352F936
    • Z31191657
    • 164352-93-6

  • Applications

    2-Furfuryl thiopyrazine (CAS 164352-93-6) is primarily used as an odorant in perfumery, delivering roasted, coffee-like notes; it is also employed as a fragrance component in cosmetics and personal care products, contributing to long-lasting scent. In household products such as cleaners and air fresheners, it serves as a fragrance additive to impart a distinctive aroma. In industrial manufacturing, it may be used as an intermediate in the synthesis of other fragrance-related compounds or specialty chemicals, including potential applications in coatings and inks where odorant integrity is desired. It may also function as a fixative to improve odor longevity in formulated fragrances, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 86.95
    methanol 134.33
    isopropanol 44.25
    water 0.62
    ethyl acetate 161.41
    n-propanol 67.23
    acetone 232.54
    n-butanol 52.04
    acetonitrile 231.05
    DMF 329.3
    toluene 119.27
    isobutanol 47.08
    1,4-dioxane 431.35
    methyl acetate 206.66
    THF 429.59
    2-butanone 257.04
    n-pentanol 52.62
    sec-butanol 56.32
    n-hexane 1.46
    ethylene glycol 66.11
    NMP 264.84
    cyclohexane 7.39
    DMSO 962.75
    n-butyl acetate 72.93
    n-octanol 15.06
    chloroform 275.44
    n-propyl acetate 78.5
    acetic acid 166.05
    dichloromethane 412.33
    cyclohexanone 232.28
    propylene glycol 65.06
    isopropyl acetate 63.46
    DMAc 578.96
    2-ethoxyethanol 228.91
    isopentanol 49.4
    n-heptane 4.23
    ethyl formate 114.75
    1,2-dichloroethane 268.21
    n-hexanol 33.22
    2-methoxyethanol 312.51
    isobutyl acetate 45.46
    tetrachloromethane 19.41
    n-pentyl acetate 35.68
    transcutol 768.7
    n-heptanol 16.25
    ethylbenzene 30.1
    MIBK 54.73
    2-propoxyethanol 117.4
    tert-butanol 55.04
    MTBE 63.34
    2-butoxyethanol 63.54
    propionic acid 91.34
    o-xylene 55.75
    formic acid 123.15
    diethyl ether 88.98
    m-xylene 45.75
    p-xylene 42.0
    chlorobenzene 125.63
    dimethyl carbonate 78.49
    n-octane 1.31
    formamide 231.43
    cyclopentanone 252.78
    2-pentanone 118.78
    anisole 111.07
    cyclopentyl methyl ether 149.0
    gamma-butyrolactone 290.44
    1-methoxy-2-propanol 153.38
    pyridine 483.54
    3-pentanone 125.19
    furfural 361.96
    n-dodecane 1.56
    diethylene glycol 149.35
    diisopropyl ether 17.68
    tert-amyl alcohol 58.8
    acetylacetone 158.18
    n-hexadecane 1.85
    acetophenone 111.78
    methyl propionate 146.7
    isopentyl acetate 60.87
    trichloroethylene 507.11
    n-nonanol 16.28
    cyclohexanol 77.29
    benzyl alcohol 110.34
    2-ethylhexanol 27.63
    isooctanol 15.98
    dipropyl ether 49.9
    1,2-dichlorobenzene 91.56
    ethyl lactate 45.11
    propylene carbonate 118.7
    n-methylformamide 192.29
    2-pentanol 29.96
    n-pentane 2.14
    1-propoxy-2-propanol 79.33
    1-methoxy-2-propyl acetate 98.66
    2-(2-methoxypropoxy) propanol 100.93
    mesitylene 22.41
    ε-caprolactone 174.93
    p-cymene 21.57
    epichlorohydrin 470.73
    1,1,1-trichloroethane 112.81
    2-aminoethanol 89.9
    morpholine-4-carbaldehyde 432.57
    sulfolane 317.15
    2,2,4-trimethylpentane 2.81
    2-methyltetrahydrofuran 247.36
    n-hexyl acetate 43.79
    isooctane 1.33
    2-(2-butoxyethoxy)ethanol 147.19
    sec-butyl acetate 50.59
    tert-butyl acetate 53.6
    decalin 4.57
    glycerin 129.97
    diglyme 318.13
    acrylic acid 114.65
    isopropyl myristate 21.09
    n-butyric acid 101.83
    acetyl acetate 87.52
    di(2-ethylhexyl) phthalate 31.44
    ethyl propionate 69.77
    nitromethane 440.85
    1,2-diethoxyethane 171.71
    benzonitrile 139.12
    trioctyl phosphate 16.28
    1-bromopropane 81.75
    gamma-valerolactone 385.29
    n-decanol 14.12
    triethyl phosphate 37.55
    4-methyl-2-pentanol 19.2
    propionitrile 132.8
    vinylene carbonate 136.41
    1,1,2-trichlorotrifluoroethane 295.13
    DMS 69.34
    cumene 18.16
    2-octanol 10.47
    2-hexanone 78.17
    octyl acetate 27.36
    limonene 31.63
    1,2-dimethoxyethane 325.88
    ethyl orthosilicate 36.11
    tributyl phosphate 24.39
    diacetone alcohol 77.38
    N,N-dimethylaniline 70.33
    acrylonitrile 196.58
    aniline 186.17
    1,3-propanediol 104.98
    bromobenzene 121.45
    dibromomethane 175.11
    1,1,2,2-tetrachloroethane 308.03
    2-methyl-cyclohexyl acetate 51.61
    tetrabutyl urea 39.74
    diisobutyl methanol 17.35
    2-phenylethanol 67.02
    styrene 48.76
    dioctyl adipate 44.03
    dimethyl sulfate 147.01
    ethyl butyrate 63.36
    methyl lactate 78.84
    butyl lactate 37.85
    diethyl carbonate 48.62
    propanediol butyl ether 66.83
    triethyl orthoformate 52.85
    p-tert-butyltoluene 17.99
    methyl 4-tert-butylbenzoate 59.48
    morpholine 480.69
    tert-butylamine 28.9
    n-dodecanol 12.32
    dimethoxymethane 233.35
    ethylene carbonate 109.33
    cyrene 111.92
    2-ethoxyethyl acetate 94.28
    2-ethylhexyl acetate 50.97
    1,2,4-trichlorobenzene 127.81
    4-methylpyridine 307.77
    dibutyl ether 36.97
    2,6-dimethyl-4-heptanol 17.35
    DEF 199.77
    dimethyl isosorbide 151.28
    tetrachloroethylene 173.61
    eugenol 67.27
    triacetin 80.31
    span 80 59.65
    1,4-butanediol 59.11
    1,1-dichloroethane 150.65
    2-methyl-1-pentanol 55.19
    methyl formate 153.48
    2-methyl-1-butanol 50.35
    n-decane 2.18
    butyronitrile 105.99
    3,7-dimethyl-1-octanol 24.18
    1-chlorooctane 11.72
    1-chlorotetradecane 6.11
    n-nonane 1.79
    undecane 1.8
    tert-butylcyclohexane 3.05
    cyclooctane 2.74
    cyclopentanol 76.98
    tetrahydropyran 271.65
    tert-amyl methyl ether 58.22
    2,5,8-trioxanonane 221.69
    1-hexene 10.32
    2-isopropoxyethanol 117.89
    2,2,2-trifluoroethanol 69.95
    methyl butyrate 90.35

    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