Pyrazine, 2-[[(2-furanylmethyl)thio]methyl]-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    59021-05-5

    Molecular formula
    C10H10N2OS

    SMILES
    C1=COC(=C1)CSCC2=NC=CN=C2

    Safety labels

  • Odor profile

    Fragrance
    Roasted 84.74%
    Nutty 77.24%
    Meaty 74.03%
    Coffee 72.78%
    Sulfurous 56.02%
    Earthy 55.13%
    Burnt 52.53%
    Cooked 46.69%
    Hazelnut 43.87%
    Caramellic 42.94%

     

    Flavor
    Roasted 69.63%
    Coffee 68.85%
    Meaty 60.82%
    Sulfury 59.39%
    Nutty 49.6%
    Roast 46.83%
    Vegetable 42.83%
    Earthy 41.19%
    Cooked 37.51%
    Mushroom 35.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    3.07 (weak acid)

    Molecular weight
    206.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    383°C

    Flash point

    • 167.87 ˚C est.

  • Synonyms

    • Pyrazine, [[(2-furanylmethyl)thio]methyl]-
    • EINECS 261-564-3
    • DTXSID3069304
    • Pyrazine, (((2-furanylmethyl)thio)methyl)-
    • Pyrazine, 2-(((2-furanylmethyl)thio)methyl)-
    • Pyrazine, 2-[[(2-furanylmethyl)thio]methyl]-
    • RefChem:870424
    • DTXCID6042527
    • ((Furfurylthio)methyl)pyrazine
    • 59021-05-5
    • 2-(furan-2-ylmethylsulfanylmethyl)pyrazine
    • 2-({[(Furan-2-yl)methyl]sulfanyl}methyl)pyrazine
    • SCHEMBL6129995
    • RVAGIRWUMWXFKJ-UHFFFAOYSA-N
    • AKOS030242529
    • 2-(2-furylmethylsulfanylmethyl)pyrazine
    • NS00034066
    • 59021-05-5

  • Applications

    Pyrazine, 2-[[(2-furanylmethyl)thio]methyl]- (CAS 59021-05-5) is principally used as an odorant/fragrance ingredient and as a fragrance intermediate, providing note profiles associated with roasted, nutty, or green aromas; it may also be evaluated as a flavor/aroma additive in food or beverage flavor development; in cosmetics and personal care it serves as a fragrance component; in household products it is used to impart scent in cleaners and air fresheners; as a building block in industrial manufacturing, it can function as an intermediate in the synthesis of specialty chemicals including fragrances, polymers or pharmaceutical research; and its use is typically governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 153.85
    methanol 240.58
    isopropanol 73.58
    water 2.49
    ethyl acetate 107.74
    n-propanol 109.96
    acetone 348.21
    n-butanol 75.81
    acetonitrile 244.25
    DMF 525.63
    toluene 104.96
    isobutanol 75.83
    1,4-dioxane 315.48
    methyl acetate 149.02
    THF 385.08
    2-butanone 244.0
    n-pentanol 80.65
    sec-butanol 76.9
    n-hexane 2.85
    ethylene glycol 122.42
    NMP 420.57
    cyclohexane 9.3
    DMSO 1450.73
    n-butyl acetate 64.51
    n-octanol 23.65
    chloroform 326.3
    n-propyl acetate 71.08
    acetic acid 283.49
    dichloromethane 442.57
    cyclohexanone 290.69
    propylene glycol 113.49
    isopropyl acetate 47.31
    DMAc 640.87
    2-ethoxyethanol 284.23
    isopentanol 64.25
    n-heptane 5.36
    ethyl formate 93.57
    1,2-dichloroethane 288.4
    n-hexanol 45.5
    2-methoxyethanol 394.67
    isobutyl acetate 46.71
    tetrachloromethane 26.28
    n-pentyl acetate 41.83
    transcutol 865.58
    n-heptanol 23.79
    ethylbenzene 26.98
    MIBK 56.09
    2-propoxyethanol 144.34
    tert-butanol 66.89
    MTBE 50.5
    2-butoxyethanol 82.85
    propionic acid 129.07
    o-xylene 52.36
    formic acid 234.08
    diethyl ether 76.07
    m-xylene 52.59
    p-xylene 37.61
    chlorobenzene 124.76
    dimethyl carbonate 66.02
    n-octane 1.8
    formamide 334.47
    cyclopentanone 318.03
    2-pentanone 119.88
    anisole 92.14
    cyclopentyl methyl ether 141.38
    gamma-butyrolactone 287.75
    1-methoxy-2-propanol 196.23
    pyridine 432.29
    3-pentanone 128.72
    furfural 386.48
    n-dodecane 2.05
    diethylene glycol 216.34
    diisopropyl ether 15.04
    tert-amyl alcohol 70.26
    acetylacetone 142.28
    n-hexadecane 2.38
    acetophenone 105.89
    methyl propionate 128.35
    isopentyl acetate 53.43
    trichloroethylene 548.59
    n-nonanol 23.99
    cyclohexanol 104.41
    benzyl alcohol 119.29
    2-ethylhexanol 32.86
    isooctanol 21.39
    dipropyl ether 49.26
    1,2-dichlorobenzene 98.01
    ethyl lactate 55.55
    propylene carbonate 115.34
    n-methylformamide 261.1
    2-pentanol 40.25
    n-pentane 3.61
    1-propoxy-2-propanol 96.26
    1-methoxy-2-propyl acetate 89.27
    2-(2-methoxypropoxy) propanol 114.0
    mesitylene 23.78
    ε-caprolactone 176.91
    p-cymene 21.96
    epichlorohydrin 417.57
    1,1,1-trichloroethane 115.53
    2-aminoethanol 151.85
    morpholine-4-carbaldehyde 456.65
    sulfolane 388.7
    2,2,4-trimethylpentane 3.54
    2-methyltetrahydrofuran 208.92
    n-hexyl acetate 51.67
    isooctane 1.81
    2-(2-butoxyethoxy)ethanol 172.81
    sec-butyl acetate 41.36
    tert-butyl acetate 43.76
    decalin 5.3
    glycerin 227.35
    diglyme 332.46
    acrylic acid 167.06
    isopropyl myristate 21.34
    n-butyric acid 122.11
    acetyl acetate 61.13
    di(2-ethylhexyl) phthalate 38.41
    ethyl propionate 56.96
    nitromethane 486.36
    1,2-diethoxyethane 151.71
    benzonitrile 139.41
    trioctyl phosphate 20.03
    1-bromopropane 91.54
    gamma-valerolactone 428.01
    n-decanol 19.64
    triethyl phosphate 35.12
    4-methyl-2-pentanol 22.77
    propionitrile 123.87
    vinylene carbonate 135.71
    1,1,2-trichlorotrifluoroethane 365.71
    DMS 68.07
    cumene 18.73
    2-octanol 15.44
    2-hexanone 86.66
    octyl acetate 29.53
    limonene 32.61
    1,2-dimethoxyethane 307.62
    ethyl orthosilicate 33.55
    tributyl phosphate 28.79
    diacetone alcohol 79.38
    N,N-dimethylaniline 69.76
    acrylonitrile 195.82
    aniline 182.83
    1,3-propanediol 150.26
    bromobenzene 112.29
    dibromomethane 211.84
    1,1,2,2-tetrachloroethane 352.73
    2-methyl-cyclohexyl acetate 50.53
    tetrabutyl urea 46.18
    diisobutyl methanol 18.88
    2-phenylethanol 75.77
    styrene 42.9
    dioctyl adipate 46.63
    dimethyl sulfate 143.24
    ethyl butyrate 55.03
    methyl lactate 96.29
    butyl lactate 50.7
    diethyl carbonate 42.21
    propanediol butyl ether 99.72
    triethyl orthoformate 47.57
    p-tert-butyltoluene 18.74
    methyl 4-tert-butylbenzoate 65.32
    morpholine 405.04
    tert-butylamine 36.96
    n-dodecanol 16.27
    dimethoxymethane 225.99
    ethylene carbonate 102.98
    cyrene 129.31
    2-ethoxyethyl acetate 96.01
    2-ethylhexyl acetate 44.42
    1,2,4-trichlorobenzene 132.06
    4-methylpyridine 270.73
    dibutyl ether 41.17
    2,6-dimethyl-4-heptanol 18.88
    DEF 183.38
    dimethyl isosorbide 153.3
    tetrachloroethylene 212.11
    eugenol 81.15
    triacetin 84.66
    span 80 79.94
    1,4-butanediol 97.67
    1,1-dichloroethane 166.16
    2-methyl-1-pentanol 70.82
    methyl formate 186.63
    2-methyl-1-butanol 69.8
    n-decane 2.9
    butyronitrile 108.1
    3,7-dimethyl-1-octanol 30.47
    1-chlorooctane 15.93
    1-chlorotetradecane 7.71
    n-nonane 2.49
    undecane 2.39
    tert-butylcyclohexane 3.76
    cyclooctane 3.33
    cyclopentanol 103.66
    tetrahydropyran 225.76
    tert-amyl methyl ether 50.36
    2,5,8-trioxanonane 233.78
    1-hexene 16.29
    2-isopropoxyethanol 146.44
    2,2,2-trifluoroethanol 106.53
    methyl butyrate 79.41

    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