2-Methyl-5-(methylthio)furan

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  • Identifiers

    CAS number
    13678-59-6

    Molecular formula
    C6H8OS

    SMILES
    CC1=CC=C(O1)SC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Sulfurous 80.23%
    Roasted 62.71%
    Onion 61.99%
    Coffee 59.77%
    Meaty 59.29%
    Alliaceous 56.78%
    Garlic 55.02%
    Burnt 52.89%
    Pungent 48.0%
    Savory 45.85%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    5.83 (weak acid)

    Molecular weight
    128.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 66.00 to 67.00 °C. @ 23.00 mm Hg

    Flash point est.
    43.03 ˚C

    Solubility expt.

    • Insoluble in water; soluble in corn oil
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 2-Methyl-5-(methylthio)furan
    • 13678-59-6
    • 5-Methyl-2-(methylthio)furan
    • Furan, 2-methyl-5-(methylthio)-
    • 2-methyl-5-methylsulfanylfuran
    • 2-methyl 5-(methyl thio) furan
    • Methyl 5-methylfuryl sulfide
    • 2-Methyl-5-(methylsulfanyl)furan
    • 2-Methyl-5-methylthiofuran
    • FEMA No. 3366
    • UNII-41Z7B950JJ
    • 41Z7B950JJ
    • EINECS 237-170-2
    • 2-methyl-5-(methylthio)-furan
    • DTXSID9065578
    • CHEBI:89286
    • FEMA 3366
    • 2-Methyl-5-(methylmercapto)furan
    • 2-Methyl-5-(methylthio)furan, 9CI
    • MFCD01208018
    • SCHEMBL2964186
    • DTXCID3034379
    • 2-Methyl-5-(methylsulfanyl)furan #
    • AKOS006229767
    • AS-77231
    • 2-Methyl-5-(methylthio)furan, AldrichCPR
    • 2-METHYL-5-METHYLTHIOFURAN [FHFI]
    • NS00052629
    • Q27161473

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1337.74
    methanol 1730.61
    isopropanol 1058.87
    water 19.95
    ethyl acetate 1312.18
    n-propanol 1108.78
    acetone 2027.6
    n-butanol 1061.12
    acetonitrile 1556.84
    DMF 2332.8
    toluene 938.03
    isobutanol 922.06
    1,4-dioxane 2720.73
    methyl acetate 1474.45
    THF 2568.34
    2-butanone 1590.42
    n-pentanol 824.53
    sec-butanol 1047.85
    n-hexane 323.39
    ethylene glycol 560.57
    NMP 1939.8
    cyclohexane 399.24
    DMSO 2454.58
    n-butyl acetate 726.65
    n-octanol 658.66
    chloroform 3785.45
    n-propyl acetate 782.99
    acetic acid 1042.78
    dichloromethane 3810.72
    cyclohexanone 2020.74
    propylene glycol 612.08
    isopropyl acetate 813.42
    DMAc 2103.46
    2-ethoxyethanol 1411.5
    isopentanol 881.54
    n-heptane 218.55
    ethyl formate 882.55
    1,2-dichloroethane 2021.58
    n-hexanol 804.5
    2-methoxyethanol 2103.77
    isobutyl acetate 527.21
    tetrachloromethane 918.21
    n-pentyl acetate 667.44
    transcutol 2426.66
    n-heptanol 505.66
    ethylbenzene 488.81
    MIBK 853.56
    2-propoxyethanol 1518.94
    tert-butanol 1238.7
    MTBE 1329.03
    2-butoxyethanol 847.26
    propionic acid 927.77
    o-xylene 610.1
    formic acid 382.84
    diethyl ether 1470.57
    m-xylene 638.78
    p-xylene 626.83
    chlorobenzene 1134.26
    dimethyl carbonate 664.78
    n-octane 122.41
    formamide 572.69
    cyclopentanone 2086.62
    2-pentanone 1313.65
    anisole 1120.79
    cyclopentyl methyl ether 1479.97
    gamma-butyrolactone 2027.34
    1-methoxy-2-propanol 1636.5
    pyridine 1608.38
    3-pentanone 1136.66
    furfural 1899.29
    n-dodecane 118.27
    diethylene glycol 1192.3
    diisopropyl ether 513.38
    tert-amyl alcohol 1082.91
    acetylacetone 1631.19
    n-hexadecane 133.36
    acetophenone 910.6
    methyl propionate 1133.69
    isopentyl acetate 622.06
    trichloroethylene 3255.89
    n-nonanol 536.89
    cyclohexanol 1084.75
    benzyl alcohol 784.89
    2-ethylhexanol 503.79
    isooctanol 415.52
    dipropyl ether 711.04
    1,2-dichlorobenzene 1070.05
    ethyl lactate 453.71
    propylene carbonate 1059.81
    n-methylformamide 1103.8
    2-pentanol 789.53
    n-pentane 281.61
    1-propoxy-2-propanol 930.87
    1-methoxy-2-propyl acetate 791.04
    2-(2-methoxypropoxy) propanol 702.1
    mesitylene 448.6
    ε-caprolactone 1565.44
    p-cymene 308.87
    epichlorohydrin 2452.26
    1,1,1-trichloroethane 2099.38
    2-aminoethanol 776.44
    morpholine-4-carbaldehyde 2273.13
    sulfolane 2514.4
    2,2,4-trimethylpentane 174.32
    2-methyltetrahydrofuran 1936.78
    n-hexyl acetate 990.06
    isooctane 142.78
    2-(2-butoxyethoxy)ethanol 981.56
    sec-butyl acetate 549.55
    tert-butyl acetate 857.01
    decalin 234.62
    glycerin 810.87
    diglyme 1764.03
    acrylic acid 816.95
    isopropyl myristate 421.88
    n-butyric acid 1042.89
    acetyl acetate 881.01
    di(2-ethylhexyl) phthalate 362.46
    ethyl propionate 744.11
    nitromethane 1956.68
    1,2-diethoxyethane 1061.15
    benzonitrile 1018.2
    trioctyl phosphate 278.4
    1-bromopropane 1301.19
    gamma-valerolactone 2366.15
    n-decanol 400.28
    triethyl phosphate 318.99
    4-methyl-2-pentanol 483.32
    propionitrile 1158.85
    vinylene carbonate 1074.74
    1,1,2-trichlorotrifluoroethane 1547.87
    DMS 789.63
    cumene 363.37
    2-octanol 452.72
    2-hexanone 905.33
    octyl acetate 532.27
    limonene 464.24
    1,2-dimethoxyethane 2160.46
    ethyl orthosilicate 313.06
    tributyl phosphate 319.88
    diacetone alcohol 948.29
    N,N-dimethylaniline 754.73
    acrylonitrile 1313.74
    aniline 949.95
    1,3-propanediol 979.54
    bromobenzene 1291.01
    dibromomethane 2448.33
    1,1,2,2-tetrachloroethane 2615.24
    2-methyl-cyclohexyl acetate 486.47
    tetrabutyl urea 442.28
    diisobutyl methanol 307.84
    2-phenylethanol 690.67
    styrene 648.93
    dioctyl adipate 510.79
    dimethyl sulfate 1105.81
    ethyl butyrate 595.29
    methyl lactate 652.03
    butyl lactate 482.42
    diethyl carbonate 417.09
    propanediol butyl ether 819.16
    triethyl orthoformate 405.23
    p-tert-butyltoluene 315.61
    methyl 4-tert-butylbenzoate 733.39
    morpholine 2415.16
    tert-butylamine 847.27
    n-dodecanol 317.08
    dimethoxymethane 1806.52
    ethylene carbonate 896.08
    cyrene 742.93
    2-ethoxyethyl acetate 853.38
    2-ethylhexyl acetate 522.84
    1,2,4-trichlorobenzene 1201.61
    4-methylpyridine 1705.54
    dibutyl ether 737.98
    2,6-dimethyl-4-heptanol 307.84
    DEF 1510.73
    dimethyl isosorbide 1044.83
    tetrachloroethylene 1763.26
    eugenol 718.47
    triacetin 782.58
    span 80 651.39
    1,4-butanediol 547.32
    1,1-dichloroethane 2232.06
    2-methyl-1-pentanol 732.48
    methyl formate 968.43
    2-methyl-1-butanol 933.91
    n-decane 176.71
    butyronitrile 1144.11
    3,7-dimethyl-1-octanol 535.3
    1-chlorooctane 575.71
    1-chlorotetradecane 256.07
    n-nonane 185.24
    undecane 139.64
    tert-butylcyclohexane 234.78
    cyclooctane 181.1
    cyclopentanol 1114.46
    tetrahydropyran 1900.42
    tert-amyl methyl ether 1044.82
    2,5,8-trioxanonane 1193.92
    1-hexene 658.34
    2-isopropoxyethanol 1004.76
    2,2,2-trifluoroethanol 460.66
    methyl butyrate 940.65

    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