Furfuryl methyl sulfide

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  • Identifiers

    CAS number
    1438-91-1

    Molecular formula
    C6H8OS

    SMILES
    CSCC1=CC=CO1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 83.49%
    Onion 68.92%
    Coffee 68.58%
    Garlic 67.43%
    Alliaceous 67.42%
    Roasted 65.14%
    Meaty 55.63%
    Savory 53.12%
    Pungent 49.26%
    Vegetable 47.95%

     

    Flavor
    Sulfury 74.01%
    Coffee 67.0%
    Onion 66.24%
    Roasted 63.28%
    Garlic 58.61%
    Meaty 57.93%
    Sulfurous 52.48%
    Vegetable 51.19%
    Horseradish 45.82%
    Fishy 45.35%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    4.8 (weak acid)

    Molecular weight
    128.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 64.00 to 65.00 °C. @ 15.00 mm Hg

    Flash point

    • 48.31 ˚C est.

    Solubility expt.

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

  • Synonyms

    • Furfuryl methyl sulfide
    • 1438-91-1
    • 2-((Methylthio)methyl)furan
    • 2-(methylsulfanylmethyl)furan
    • Methyl furfuryl sulfide
    • 2-Furfuryl methyl sulfide
    • 2-[(Methylsulfanyl)methyl]furan
    • Furan, 2-[(methylthio)methyl]-
    • FEMA No. 3160
    • Furan, 2-((methylthio)methyl)-
    • 2-(Methylthio)methylfuran
    • 2-[(methylthio)methyl]furan
    • LMB8355W32
    • EINECS 215-874-0
    • 2-(Methylthiomethyl)furan
    • 2-Furfuryl methyl sulphide
    • DTXSID7061693
    • FURFURYL METHYL SULFIDE [FHFI]
    • 2-((Methylthio)methyl)-Furan
    • 2-[(Methylthio)methyl]-Furan
    • Furan, [(methylthio)methyl]-
    • UNII-LMB8355W32
    • Furfurylmethylsulfid
    • MFCD00009604
    • 2-methylthiomethyl furan
    • 2-Methylsulfanylmethyl-furan
    • Furan, 2-(methylthio)methyl-
    • SCHEMBL1357473
    • DTXCID1034688
    • FEMA 3160
    • 2-[(Methylsulfanyl)methyl]furan #
    • AKOS015852531
    • Furfuryl methyl sulfide, >=97%, FG
    • CS-W013461
    • AS-59028
    • F0245
    • NS00021659
    • D90650
    • EN300-1698611
    • Q18456604
    • InChI=1/C6H8OS/c1-8-5-6-3-2-4-7-6/h2-4H,5H2,1H
    • 215-874-0

  • Applications

    Furfuryl methyl sulfide (CAS 1438-91-1) is an organosulfur compound with a distinctive roasted, meaty aroma used as a flavouring in coffee, chocolate and processed meats, as an analytical standard for Maillard-reaction volatiles, and as an intermediate in the production of pharmaceuticals, agrochemicals, metal-corrosion inhibitors, lubricant performance enhancers and durability-boosting furan resins.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1571.9
    methanol 1505.86
    isopropanol 1250.24
    water 10.13
    ethyl acetate 917.81
    n-propanol 1193.97
    acetone 2313.87
    n-butanol 997.42
    acetonitrile 1412.62
    DMF 2149.98
    toluene 838.45
    isobutanol 968.55
    1,4-dioxane 2482.94
    methyl acetate 1095.67
    THF 2825.29
    2-butanone 1442.27
    n-pentanol 793.89
    sec-butanol 1003.33
    n-hexane 302.36
    ethylene glycol 663.23
    NMP 1917.73
    cyclohexane 555.3
    DMSO 3193.6
    n-butyl acetate 588.97
    n-octanol 616.79
    chloroform 3103.06
    n-propyl acetate 592.75
    acetic acid 1486.52
    dichloromethane 2543.42
    cyclohexanone 2067.93
    propylene glycol 770.91
    isopropyl acetate 569.74
    DMAc 1519.98
    2-ethoxyethanol 1055.64
    isopentanol 779.09
    n-heptane 275.79
    ethyl formate 587.51
    1,2-dichloroethane 1535.38
    n-hexanol 947.58
    2-methoxyethanol 1607.76
    isobutyl acetate 447.22
    tetrachloromethane 634.01
    n-pentyl acetate 483.24
    transcutol 2599.98
    n-heptanol 466.18
    ethylbenzene 384.67
    MIBK 708.08
    2-propoxyethanol 1298.93
    tert-butanol 1323.12
    MTBE 992.13
    2-butoxyethanol 674.98
    propionic acid 1157.31
    o-xylene 504.47
    formic acid 394.67
    diethyl ether 1079.72
    m-xylene 539.41
    p-xylene 483.98
    chlorobenzene 1031.62
    dimethyl carbonate 471.78
    n-octane 120.35
    formamide 499.04
    cyclopentanone 2149.44
    2-pentanone 1148.91
    anisole 783.16
    cyclopentyl methyl ether 1400.13
    gamma-butyrolactone 1765.12
    1-methoxy-2-propanol 1355.28
    pyridine 1648.47
    3-pentanone 938.61
    furfural 1586.03
    n-dodecane 110.15
    diethylene glycol 1168.63
    diisopropyl ether 381.42
    tert-amyl alcohol 967.69
    acetylacetone 1191.59
    n-hexadecane 123.33
    acetophenone 662.09
    methyl propionate 837.42
    isopentyl acetate 513.88
    trichloroethylene 2550.48
    n-nonanol 495.08
    cyclohexanol 1255.27
    benzyl alcohol 668.41
    2-ethylhexanol 517.19
    isooctanol 371.26
    dipropyl ether 647.46
    1,2-dichlorobenzene 820.6
    ethyl lactate 376.89
    propylene carbonate 927.37
    n-methylformamide 915.87
    2-pentanol 738.0
    n-pentane 293.46
    1-propoxy-2-propanol 865.87
    1-methoxy-2-propyl acetate 621.77
    2-(2-methoxypropoxy) propanol 635.96
    mesitylene 363.59
    ε-caprolactone 1295.42
    p-cymene 262.74
    epichlorohydrin 1833.12
    1,1,1-trichloroethane 1545.1
    2-aminoethanol 942.7
    morpholine-4-carbaldehyde 1871.06
    sulfolane 2425.01
    2,2,4-trimethylpentane 142.94
    2-methyltetrahydrofuran 1923.78
    n-hexyl acetate 799.85
    isooctane 129.46
    2-(2-butoxyethoxy)ethanol 918.14
    sec-butyl acetate 406.47
    tert-butyl acetate 641.04
    decalin 216.55
    glycerin 950.92
    diglyme 1571.91
    acrylic acid 1019.39
    isopropyl myristate 327.9
    n-butyric acid 1132.97
    acetyl acetate 619.36
    di(2-ethylhexyl) phthalate 294.26
    ethyl propionate 503.64
    nitromethane 1818.62
    1,2-diethoxyethane 821.64
    benzonitrile 867.81
    trioctyl phosphate 229.6
    1-bromopropane 1086.91
    gamma-valerolactone 2029.0
    n-decanol 364.22
    triethyl phosphate 242.25
    4-methyl-2-pentanol 403.58
    propionitrile 960.58
    vinylene carbonate 855.52
    1,1,2-trichlorotrifluoroethane 1348.28
    DMS 599.08
    cumene 278.05
    2-octanol 384.13
    2-hexanone 797.01
    octyl acetate 413.78
    limonene 447.57
    1,2-dimethoxyethane 1508.42
    ethyl orthosilicate 237.36
    tributyl phosphate 254.08
    diacetone alcohol 820.1
    N,N-dimethylaniline 540.79
    acrylonitrile 1145.25
    aniline 949.55
    1,3-propanediol 978.58
    bromobenzene 1081.17
    dibromomethane 1852.29
    1,1,2,2-tetrachloroethane 2118.9
    2-methyl-cyclohexyl acetate 433.92
    tetrabutyl urea 389.32
    diisobutyl methanol 290.1
    2-phenylethanol 582.98
    styrene 535.87
    dioctyl adipate 438.56
    dimethyl sulfate 769.57
    ethyl butyrate 435.81
    methyl lactate 594.88
    butyl lactate 401.26
    diethyl carbonate 296.03
    propanediol butyl ether 803.12
    triethyl orthoformate 317.31
    p-tert-butyltoluene 260.08
    methyl 4-tert-butylbenzoate 592.28
    morpholine 2260.44
    tert-butylamine 891.77
    n-dodecanol 291.73
    dimethoxymethane 1222.49
    ethylene carbonate 704.23
    cyrene 647.41
    2-ethoxyethyl acetate 607.87
    2-ethylhexyl acetate 419.14
    1,2,4-trichlorobenzene 999.1
    4-methylpyridine 1433.26
    dibutyl ether 616.21
    2,6-dimethyl-4-heptanol 290.1
    DEF 1100.43
    dimethyl isosorbide 869.16
    tetrachloroethylene 1503.19
    eugenol 590.29
    triacetin 689.56
    span 80 649.95
    1,4-butanediol 582.18
    1,1-dichloroethane 1704.71
    2-methyl-1-pentanol 625.34
    methyl formate 766.1
    2-methyl-1-butanol 808.53
    n-decane 169.87
    butyronitrile 890.69
    3,7-dimethyl-1-octanol 476.38
    1-chlorooctane 491.35
    1-chlorotetradecane 213.54
    n-nonane 183.99
    undecane 129.77
    tert-butylcyclohexane 197.64
    cyclooctane 204.2
    cyclopentanol 1359.56
    tetrahydropyran 2157.29
    tert-amyl methyl ether 724.73
    2,5,8-trioxanonane 1105.7
    1-hexene 648.55
    2-isopropoxyethanol 769.26
    2,2,2-trifluoroethanol 474.39
    methyl butyrate 673.94

    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