2-Methyl-3-(furfurylthio)pyrazine

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  • Identifiers

    CAS number
    65530-53-2

    Molecular formula
    C10H10N2OS

    SMILES
    CC1=NC=CN=C1SCC2=CC=CO2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Roasted 87.71%
    Meaty 82.33%
    Nutty 77.43%
    Coffee 68.24%
    Sulfurous 54.54%
    Burnt 50.86%
    Beefy 49.22%
    Cooked 48.04%
    Hazelnut 45.45%
    Savory 42.62%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    3.22 (weak acid)

    Molecular weight
    206.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    356°C

    Flash point est.
    160.55 ˚C

    Solubility expt.

    • Insoluble in water,soluble in organic solvents
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 2-Furfurylthio-3-methylpyrazine
    • 65530-53-2
    • 59303-07-0
    • 2-((Furan-2-ylmethyl)thio)-3-methylpyrazine
    • 2-Methyl-3-(furfurylthio)pyrazine
    • Pyrazine, 2-[(2-furanylmethyl)thio]-3-methyl-
    • HNN0V366HI
    • ((2-Furanylmethyl)thio)methylpyrazine
    • 2-(furan-2-ylmethylsulfanyl)-3-methylpyrazine
    • 2-Furfuryl thio-3(5/6)methyl pyrazine
    • (3,5 or 6)-Furfurylthio-2-methylpyrazine
    • EINECS 261-690-9
    • 2-Methyl-3(or 5 or 6)-(furfurylthio)pyrazine
    • 59035-98-2
    • Pyrazine, 2-((2-furanylmethyl)thio)-3-methyl-
    • PYRAZINE,[(3-FURANYLMETHYL)THIO]METHYL- (9CI)
    • 2-(2-furylmethylsulfanyl)-3-methyl-pyrazine
    • 2-[(furan-2-ylmethyl)sulfanyl]-3-methylpyrazine
    • FEMA NO. 3189, 3-(FURFURYLTHIO)-
    • FURFURYL 2-METHYL-3-PYRAZINYL SULFIDE
    • 2-((furan-2-ylmethyl)sulfanyl)-3-methylpyrazine
    • UNII-7PO56F8CXR
    • UNII-HNN0V366HI
    • 2-Methyl-3(5 or 6)-furfurylthiopyrazine
    • Pyrazine, ((2-furanylmethyl)thio)methyl-
    • MFCD00055031
    • 7PO56F8CXR
    • Pyrazine, ((2-furanylmethyl)thio)methyl- (9CI)
    • SCHEMBL891556
    • DTXSID2069319
    • CHEBI:169721
    • PFRSWMCUERVSAT-UHFFFAOYSA-N
    • AKOS015839459
    • ((2-furanylmethyl)thio)methyl-Pyrazine
    • 2-Methyl-3(5or6)-furfurylthiopyrazine
    • SB60972
    • AC-16616
    • AS-15963
    • 2-((2-Furylmethyl)thio)-3-methylpyrazine
    • DB-021150
    • 2-(uran-2-ylmethylsulanyl)-3-methylpyrazine
    • F0222
    • NS00022462
    • 2-((2-Furanylmethyl)thio)-3-methyl-Pyrazine
    • 2-Methyl-3 (5 or 6)-Furfurylthio Pyrazine
    • Pyrazine, 2-(2-furanylmethyl)thio-3-methyl-
    • D90646
    • Q27280016
    • 261-690-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 100.57
    methanol 155.56
    isopropanol 58.1
    water 0.89
    ethyl acetate 246.44
    n-propanol 82.19
    acetone 335.71
    n-butanol 74.68
    acetonitrile 264.45
    DMF 668.47
    toluene 187.61
    isobutanol 67.14
    1,4-dioxane 662.18
    methyl acetate 269.99
    THF 696.79
    2-butanone 313.21
    n-pentanol 58.87
    sec-butanol 66.35
    n-hexane 2.52
    ethylene glycol 50.82
    NMP 649.77
    cyclohexane 15.24
    DMSO 994.97
    n-butyl acetate 111.72
    n-octanol 15.72
    chloroform 606.24
    n-propyl acetate 104.63
    acetic acid 233.81
    dichloromethane 888.78
    cyclohexanone 454.8
    propylene glycol 48.4
    isopropyl acetate 105.65
    DMAc 894.96
    2-ethoxyethanol 233.38
    isopentanol 73.41
    n-heptane 4.79
    ethyl formate 180.6
    1,2-dichloroethane 525.23
    n-hexanol 36.75
    2-methoxyethanol 391.6
    isobutyl acetate 66.49
    tetrachloromethane 49.09
    n-pentyl acetate 54.2
    transcutol 853.32
    n-heptanol 18.61
    ethylbenzene 41.68
    MIBK 85.34
    2-propoxyethanol 139.84
    tert-butanol 71.28
    MTBE 100.54
    2-butoxyethanol 73.72
    propionic acid 122.31
    o-xylene 78.76
    formic acid 153.08
    diethyl ether 155.87
    m-xylene 68.68
    p-xylene 62.34
    chlorobenzene 250.66
    dimethyl carbonate 138.96
    n-octane 1.57
    formamide 319.56
    cyclopentanone 475.57
    2-pentanone 171.28
    anisole 161.86
    cyclopentyl methyl ether 227.25
    gamma-butyrolactone 526.38
    1-methoxy-2-propanol 183.74
    pyridine 680.75
    3-pentanone 183.12
    furfural 626.51
    n-dodecane 1.87
    diethylene glycol 167.85
    diisopropyl ether 28.44
    tert-amyl alcohol 73.9
    acetylacetone 276.12
    n-hexadecane 2.27
    acetophenone 160.17
    methyl propionate 208.5
    isopentyl acetate 105.87
    trichloroethylene 1007.0
    n-nonanol 17.34
    cyclohexanol 117.52
    benzyl alcohol 133.46
    2-ethylhexanol 31.56
    isooctanol 19.12
    dipropyl ether 59.66
    1,2-dichlorobenzene 191.65
    ethyl lactate 56.04
    propylene carbonate 222.22
    n-methylformamide 288.75
    2-pentanol 41.14
    n-pentane 4.0
    1-propoxy-2-propanol 92.0
    1-methoxy-2-propyl acetate 159.64
    2-(2-methoxypropoxy) propanol 125.14
    mesitylene 33.91
    ε-caprolactone 311.86
    p-cymene 31.66
    epichlorohydrin 761.33
    1,1,1-trichloroethane 271.22
    2-aminoethanol 85.52
    morpholine-4-carbaldehyde 729.39
    sulfolane 575.78
    2,2,4-trimethylpentane 4.53
    2-methyltetrahydrofuran 389.56
    n-hexyl acetate 60.4
    isooctane 2.26
    2-(2-butoxyethoxy)ethanol 170.56
    sec-butyl acetate 73.98
    tert-butyl acetate 98.74
    decalin 7.75
    glycerin 112.37
    diglyme 401.41
    acrylic acid 151.88
    isopropyl myristate 30.05
    n-butyric acid 158.75
    acetyl acetate 166.86
    di(2-ethylhexyl) phthalate 45.26
    ethyl propionate 99.93
    nitromethane 673.58
    1,2-diethoxyethane 222.9
    benzonitrile 194.22
    trioctyl phosphate 22.95
    1-bromopropane 147.95
    gamma-valerolactone 705.75
    n-decanol 14.43
    triethyl phosphate 59.4
    4-methyl-2-pentanol 24.65
    propionitrile 164.63
    vinylene carbonate 252.87
    1,1,2-trichlorotrifluoroethane 443.16
    DMS 121.51
    cumene 26.89
    2-octanol 12.26
    2-hexanone 101.32
    octyl acetate 36.55
    limonene 48.29
    1,2-dimethoxyethane 413.88
    ethyl orthosilicate 55.37
    tributyl phosphate 37.49
    diacetone alcohol 108.29
    N,N-dimethylaniline 101.78
    acrylonitrile 239.0
    aniline 250.35
    1,3-propanediol 122.48
    bromobenzene 255.41
    dibromomethane 393.65
    1,1,2,2-tetrachloroethane 599.98
    2-methyl-cyclohexyl acetate 85.56
    tetrabutyl urea 55.06
    diisobutyl methanol 21.23
    2-phenylethanol 90.76
    styrene 75.17
    dioctyl adipate 63.19
    dimethyl sulfate 249.49
    ethyl butyrate 95.69
    methyl lactate 100.51
    butyl lactate 51.77
    diethyl carbonate 77.29
    propanediol butyl ether 65.38
    triethyl orthoformate 75.56
    p-tert-butyltoluene 26.96
    methyl 4-tert-butylbenzoate 92.48
    morpholine 657.15
    tert-butylamine 38.75
    n-dodecanol 12.32
    dimethoxymethane 365.15
    ethylene carbonate 209.53
    cyrene 159.06
    2-ethoxyethyl acetate 144.99
    2-ethylhexyl acetate 88.84
    1,2,4-trichlorobenzene 248.04
    4-methylpyridine 474.3
    dibutyl ether 43.66
    2,6-dimethyl-4-heptanol 21.23
    DEF 292.45
    dimethyl isosorbide 230.03
    tetrachloroethylene 341.72
    eugenol 95.42
    triacetin 118.28
    span 80 74.37
    1,4-butanediol 57.85
    1,1-dichloroethane 306.73
    2-methyl-1-pentanol 64.93
    methyl formate 255.22
    2-methyl-1-butanol 73.84
    n-decane 2.57
    butyronitrile 150.33
    3,7-dimethyl-1-octanol 25.32
    1-chlorooctane 14.56
    1-chlorotetradecane 8.04
    n-nonane 2.13
    undecane 2.15
    tert-butylcyclohexane 5.46
    cyclooctane 4.44
    cyclopentanol 120.04
    tetrahydropyran 384.95
    tert-amyl methyl ether 86.26
    2,5,8-trioxanonane 280.6
    1-hexene 15.87
    2-isopropoxyethanol 122.48
    2,2,2-trifluoroethanol 119.17
    methyl butyrate 129.34

    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