2,5-Dimethyl-3-(methylthio)furan

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  • Identifiers

    CAS number
    63359-63-7

    Molecular formula
    C7H10OS

    SMILES
    CC1=CC(=C(O1)C)SC

  • Odor profile

    Fragrance
    Roasted 79.22%
    Meaty 78.93%
    Sulfurous 65.55%
    Coffee 53.56%
    Burnt 50.11%
    Savory 45.41%
    Onion 43.16%
    Beefy 42.84%
    Smoky 39.17%
    Cooked 36.31%

     

    Flavor
    Roasted 67.64%
    Meaty 61.96%
    Sulfury 56.54%
    Coffee 53.56%
    Burnt 50.04%
    Onion 45.92%
    Sulfurous 42.96%
    Nutty 41.75%
    Roast 40.63%
    Vegetable 38.36%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    5.6 (weak acid)

    Molecular weight
    142.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 169.00 to 170.00 °C. @ 760.00 mm Hg

    Flash point

    • 55.49 ˚C est.

  • Synonyms

    • 2,5-dimethyl-3-(methylthio)furan
    • 63359-63-7
    • furan, 2,5-dimethyl-3-(methylthio)-
    • 2,5-dimethyl-3-methylsulfanylfuran
    • Furan, 2,5-dimethyl-3-(methylthiol)-
    • 2,5-dimethyl-3-(methylsulfanyl)furan
    • Furan,2,5-dimethyl-3-(methylthiol)-
    • SCHEMBL4572610
    • DTXSID30212750
    • 2,5-Dimethyl-3-(methylthio)-Furan
    • 2,5-Dimethyl-3-(methylthiol)-Furan
    • 2,5-dimethyl-3-(methyl thiol) furan
    • NS00121177

  • Applications

    2,5-Dimethyl-3-(methylthio)furan is typically used as a building block in fragrance and flavor chemistry, serving as an intermediate to synthesize more complex aroma compounds; it may be employed as a fragrance ingredient or odorant in cosmetics/personal care and household products; in industrial manufacturing it can function as a chemical precursor for specialty aroma-related materials; it can also be used as a starting material for fragrance-containing formulations in polymers and coatings where controlled scent release is desired; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2198.47
    methanol 2584.26
    isopropanol 1548.59
    water 46.18
    ethyl acetate 2175.67
    n-propanol 1836.89
    acetone 3052.18
    n-butanol 1589.97
    acetonitrile 2653.7
    DMF 3219.02
    toluene 1896.99
    isobutanol 1396.76
    1,4-dioxane 5342.25
    methyl acetate 2120.0
    THF 5669.61
    2-butanone 2234.79
    n-pentanol 995.6
    sec-butanol 1480.93
    n-hexane 637.27
    ethylene glycol 865.91
    NMP 3326.39
    cyclohexane 1269.65
    DMSO 2810.19
    n-butyl acetate 971.26
    n-octanol 816.27
    chloroform 5783.0
    n-propyl acetate 965.4
    acetic acid 1640.13
    dichloromethane 5658.31
    cyclohexanone 3461.14
    propylene glycol 786.24
    isopropyl acetate 1196.93
    DMAc 2242.34
    2-ethoxyethanol 1729.44
    isopentanol 1148.91
    n-heptane 399.88
    ethyl formate 1259.28
    1,2-dichloroethane 3390.76
    n-hexanol 1192.98
    2-methoxyethanol 3126.61
    isobutyl acetate 629.17
    tetrachloromethane 1672.51
    n-pentyl acetate 899.99
    transcutol 2551.83
    n-heptanol 632.71
    ethylbenzene 732.73
    MIBK 1123.52
    2-propoxyethanol 2044.19
    tert-butanol 1735.05
    MTBE 1796.43
    2-butoxyethanol 940.87
    propionic acid 1366.5
    o-xylene 932.64
    formic acid 745.79
    diethyl ether 2934.43
    m-xylene 1159.23
    p-xylene 763.48
    chlorobenzene 1914.82
    dimethyl carbonate 977.6
    n-octane 186.37
    formamide 1081.39
    cyclopentanone 3710.14
    2-pentanone 2046.49
    anisole 1509.34
    cyclopentyl methyl ether 3366.54
    gamma-butyrolactone 3725.46
    1-methoxy-2-propanol 2181.93
    pyridine 2901.18
    3-pentanone 1724.09
    furfural 2625.96
    n-dodecane 142.54
    diethylene glycol 1642.92
    diisopropyl ether 880.3
    tert-amyl alcohol 1346.88
    acetylacetone 2129.16
    n-hexadecane 163.32
    acetophenone 977.13
    methyl propionate 1872.32
    isopentyl acetate 811.88
    trichloroethylene 4884.29
    n-nonanol 660.47
    cyclohexanol 2069.05
    benzyl alcohol 976.78
    2-ethylhexanol 694.59
    isooctanol 499.41
    dipropyl ether 1160.58
    1,2-dichlorobenzene 1516.91
    ethyl lactate 480.19
    propylene carbonate 1519.47
    n-methylformamide 1928.12
    2-pentanol 1138.61
    n-pentane 616.97
    1-propoxy-2-propanol 1184.3
    1-methoxy-2-propyl acetate 1075.58
    2-(2-methoxypropoxy) propanol 733.39
    mesitylene 729.08
    ε-caprolactone 2525.34
    p-cymene 412.04
    epichlorohydrin 4330.53
    1,1,1-trichloroethane 3362.5
    2-aminoethanol 1199.78
    morpholine-4-carbaldehyde 3299.82
    sulfolane 3704.69
    2,2,4-trimethylpentane 245.95
    2-methyltetrahydrofuran 4216.02
    n-hexyl acetate 1388.31
    isooctane 212.44
    2-(2-butoxyethoxy)ethanol 1092.65
    sec-butyl acetate 664.41
    tert-butyl acetate 1249.33
    decalin 404.32
    glycerin 1094.11
    diglyme 2041.73
    acrylic acid 1184.87
    isopropyl myristate 501.56
    n-butyric acid 1573.97
    acetyl acetate 1220.76
    di(2-ethylhexyl) phthalate 412.68
    ethyl propionate 1044.94
    nitromethane 3018.73
    1,2-diethoxyethane 1252.38
    benzonitrile 1244.3
    trioctyl phosphate 332.95
    1-bromopropane 2209.92
    gamma-valerolactone 4066.07
    n-decanol 469.94
    triethyl phosphate 398.34
    4-methyl-2-pentanol 617.05
    propionitrile 1910.08
    vinylene carbonate 1496.18
    1,1,2-trichlorotrifluoroethane 2029.67
    DMS 930.18
    cumene 469.54
    2-octanol 561.91
    2-hexanone 1059.85
    octyl acetate 665.41
    limonene 678.37
    1,2-dimethoxyethane 2566.76
    ethyl orthosilicate 394.22
    tributyl phosphate 375.53
    diacetone alcohol 1200.44
    N,N-dimethylaniline 867.18
    acrylonitrile 1990.56
    aniline 1566.05
    1,3-propanediol 1453.93
    bromobenzene 2105.38
    dibromomethane 3889.82
    1,1,2,2-tetrachloroethane 3775.96
    2-methyl-cyclohexyl acetate 618.97
    tetrabutyl urea 499.11
    diisobutyl methanol 386.51
    2-phenylethanol 923.15
    styrene 953.23
    dioctyl adipate 607.92
    dimethyl sulfate 1486.14
    ethyl butyrate 766.08
    methyl lactate 847.04
    butyl lactate 520.63
    diethyl carbonate 508.05
    propanediol butyl ether 775.75
    triethyl orthoformate 542.22
    p-tert-butyltoluene 420.25
    methyl 4-tert-butylbenzoate 859.17
    morpholine 4950.34
    tert-butylamine 1199.66
    n-dodecanol 362.73
    dimethoxymethane 2790.76
    ethylene carbonate 1423.27
    cyrene 812.02
    2-ethoxyethyl acetate 1142.37
    2-ethylhexyl acetate 694.87
    1,2,4-trichlorobenzene 1657.32
    4-methylpyridine 2603.66
    dibutyl ether 929.69
    2,6-dimethyl-4-heptanol 386.51
    DEF 2014.62
    dimethyl isosorbide 1291.22
    tetrachloroethylene 2746.94
    eugenol 767.43
    triacetin 849.15
    span 80 751.93
    1,4-butanediol 682.41
    1,1-dichloroethane 3408.46
    2-methyl-1-pentanol 813.63
    methyl formate 1630.41
    2-methyl-1-butanol 1231.82
    n-decane 238.1
    butyronitrile 1703.04
    3,7-dimethyl-1-octanol 622.14
    1-chlorooctane 778.92
    1-chlorotetradecane 305.38
    n-nonane 274.66
    undecane 173.99
    tert-butylcyclohexane 344.01
    cyclooctane 491.13
    cyclopentanol 2090.35
    tetrahydropyran 4453.4
    tert-amyl methyl ether 1468.36
    2,5,8-trioxanonane 1252.96
    1-hexene 1119.3
    2-isopropoxyethanol 1114.82
    2,2,2-trifluoroethanol 731.19
    methyl butyrate 1141.5

    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