Furan, 2-(methylthio)-

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  • Identifiers

    CAS number
    13129-38-9

    Molecular formula
    C5H6OS

    SMILES
    CSC1=CC=CO1

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 82.52%
    Coffee 62.73%
    Onion 62.24%
    Alliaceous 60.99%
    Garlic 59.94%
    Roasted 57.62%
    Meaty 53.45%
    Pungent 53.07%
    Burnt 52.89%
    Savory 46.46%

     

    Flavor
    Sulfury 63.1%
    Onion 60.87%
    Coffee 57.07%
    Sulfurous 53.87%
    Garlic 52.35%
    Roasted 51.46%
    Meaty 47.62%
    Sulfur 45.47%
    Vegetable 43.63%
    Horseradish 40.02%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    5.69 (weak acid)

    Molecular weight
    114.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    157°C

    Flash point

    • 37.52 ˚C est.

  • Synonyms

    • Furan, 2-(methylthio)-
    • 2-(methylthio)furan
    • 13129-38-9
    • 2-(methylsulfanyl)furan
    • 2-methylsulfanylfuran
    • 2-Methylsulfanyl-furan
    • SCHEMBL2270636
    • SCHEMBL6440562
    • SCHEMBL7326886
    • SCHEMBL7805657
    • DTXSID20156992
    • QNQUVXCNWQTHHY-UHFFFAOYSA-N
    • MFCD00662455
    • CS-0236529
    • EN300-1717043
    • InChI=1/C5H6OS/c1-7-5-3-2-4-6-5/h2-4H,1H
    • 13129-38-9

  • Applications

    Furan, 2-(methylthio)- is primarily used as a chemical building block and intermediate in organic synthesis, with applications in pharmaceutical and agrochemical development as a heteroaromatic scaffold. It may also serve as a precursor or fragrance/flavor intermediate in fragrance and flavor chemistry, contributing sulfur-containing notes. In polymer and materials science, it can act as a building block for furan-based polymers, resins, and coatings, and is evaluated for specialty applications in adhesives and related formulations. In R&D settings, it is frequently used to diversify synthesis and explore sulfur-containing heterocycles, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1425.93
    methanol 1812.42
    isopropanol 801.61
    water 13.32
    ethyl acetate 1253.64
    n-propanol 956.81
    acetone 1650.88
    n-butanol 918.88
    acetonitrile 1506.82
    DMF 1655.3
    toluene 800.1
    isobutanol 664.01
    1,4-dioxane 2531.64
    methyl acetate 1147.18
    THF 2486.7
    2-butanone 1225.51
    n-pentanol 821.55
    sec-butanol 715.12
    n-hexane 230.79
    ethylene glycol 303.57
    NMP 1621.63
    cyclohexane 369.42
    DMSO 2003.26
    n-butyl acetate 878.32
    n-octanol 401.67
    chloroform 3475.42
    n-propyl acetate 806.02
    acetic acid 1325.74
    dichloromethane 3679.74
    cyclohexanone 1674.63
    propylene glycol 247.71
    isopropyl acetate 667.23
    DMAc 1238.4
    2-ethoxyethanol 1391.73
    isopentanol 772.07
    n-heptane 211.14
    ethyl formate 911.0
    1,2-dichloroethane 1851.36
    n-hexanol 638.61
    2-methoxyethanol 1792.46
    isobutyl acetate 463.46
    tetrachloromethane 835.85
    n-pentyl acetate 597.16
    transcutol 3453.33
    n-heptanol 352.24
    ethylbenzene 350.95
    MIBK 660.54
    2-propoxyethanol 1094.46
    tert-butanol 900.42
    MTBE 984.88
    2-butoxyethanol 671.53
    propionic acid 759.08
    o-xylene 421.55
    formic acid 622.81
    diethyl ether 1533.51
    m-xylene 441.04
    p-xylene 424.79
    chlorobenzene 1061.3
    dimethyl carbonate 495.61
    n-octane 89.5
    formamide 947.57
    cyclopentanone 1751.59
    2-pentanone 1114.23
    anisole 890.25
    cyclopentyl methyl ether 1226.91
    gamma-butyrolactone 1822.3
    1-methoxy-2-propanol 1068.95
    pyridine 1874.67
    3-pentanone 846.93
    furfural 1914.72
    n-dodecane 65.22
    diethylene glycol 826.1
    diisopropyl ether 418.56
    tert-amyl alcohol 758.48
    acetylacetone 1196.06
    n-hexadecane 73.12
    acetophenone 734.75
    methyl propionate 841.21
    isopentyl acetate 667.84
    trichloroethylene 3132.86
    n-nonanol 347.93
    cyclohexanol 894.17
    benzyl alcohol 665.08
    2-ethylhexanol 428.47
    isooctanol 313.42
    dipropyl ether 708.72
    1,2-dichlorobenzene 887.64
    ethyl lactate 308.2
    propylene carbonate 898.23
    n-methylformamide 1158.97
    2-pentanol 650.55
    n-pentane 248.75
    1-propoxy-2-propanol 746.11
    1-methoxy-2-propyl acetate 730.32
    2-(2-methoxypropoxy) propanol 630.3
    mesitylene 300.82
    ε-caprolactone 1332.84
    p-cymene 255.27
    epichlorohydrin 2199.43
    1,1,1-trichloroethane 1692.35
    2-aminoethanol 580.7
    morpholine-4-carbaldehyde 2093.07
    sulfolane 1869.58
    2,2,4-trimethylpentane 119.61
    2-methyltetrahydrofuran 1989.4
    n-hexyl acetate 726.89
    isooctane 99.87
    2-(2-butoxyethoxy)ethanol 971.36
    sec-butyl acetate 490.33
    tert-butyl acetate 717.75
    decalin 153.04
    glycerin 389.73
    diglyme 1895.65
    acrylic acid 675.53
    isopropyl myristate 318.09
    n-butyric acid 1093.36
    acetyl acetate 740.19
    di(2-ethylhexyl) phthalate 268.63
    ethyl propionate 609.8
    nitromethane 2176.44
    1,2-diethoxyethane 1446.1
    benzonitrile 975.34
    trioctyl phosphate 198.28
    1-bromopropane 1164.1
    gamma-valerolactone 2232.99
    n-decanol 258.33
    triethyl phosphate 298.05
    4-methyl-2-pentanol 371.99
    propionitrile 1011.62
    vinylene carbonate 939.35
    1,1,2-trichlorotrifluoroethane 1165.12
    DMS 570.06
    cumene 247.41
    2-octanol 271.86
    2-hexanone 833.55
    octyl acetate 384.2
    limonene 399.87
    1,2-dimethoxyethane 1907.64
    ethyl orthosilicate 308.0
    tributyl phosphate 273.68
    diacetone alcohol 683.53
    N,N-dimethylaniline 600.87
    acrylonitrile 1161.34
    aniline 913.77
    1,3-propanediol 853.19
    bromobenzene 1113.82
    dibromomethane 2374.36
    1,1,2,2-tetrachloroethane 2001.33
    2-methyl-cyclohexyl acetate 465.24
    tetrabutyl urea 365.13
    diisobutyl methanol 281.85
    2-phenylethanol 565.7
    styrene 522.62
    dioctyl adipate 415.92
    dimethyl sulfate 663.33
    ethyl butyrate 649.3
    methyl lactate 369.8
    butyl lactate 348.91
    diethyl carbonate 439.47
    propanediol butyl ether 523.56
    triethyl orthoformate 447.08
    p-tert-butyltoluene 240.19
    methyl 4-tert-butylbenzoate 551.82
    morpholine 2269.08
    tert-butylamine 650.49
    n-dodecanol 204.34
    dimethoxymethane 1410.89
    ethylene carbonate 830.97
    cyrene 613.75
    2-ethoxyethyl acetate 871.57
    2-ethylhexyl acetate 562.69
    1,2,4-trichlorobenzene 948.15
    4-methylpyridine 1761.41
    dibutyl ether 635.89
    2,6-dimethyl-4-heptanol 281.85
    DEF 1302.45
    dimethyl isosorbide 1069.43
    tetrachloroethylene 1545.71
    eugenol 587.15
    triacetin 644.21
    span 80 513.02
    1,4-butanediol 431.07
    1,1-dichloroethane 1878.17
    2-methyl-1-pentanol 693.4
    methyl formate 942.14
    2-methyl-1-butanol 709.99
    n-decane 106.42
    butyronitrile 1149.87
    3,7-dimethyl-1-octanol 390.29
    1-chlorooctane 328.73
    1-chlorotetradecane 149.34
    n-nonane 111.99
    undecane 78.51
    tert-butylcyclohexane 144.62
    cyclooctane 140.79
    cyclopentanol 866.32
    tetrahydropyran 1970.33
    tert-amyl methyl ether 763.58
    2,5,8-trioxanonane 1261.39
    1-hexene 543.79
    2-isopropoxyethanol 907.61
    2,2,2-trifluoroethanol 471.28
    methyl butyrate 816.44

    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