Furfuryl methyl disulfide

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  • Identifiers

    CAS number
    57500-00-2

    Molecular formula
    C6H8OS2

    SMILES
    CSSCC1=CC=CO1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 87.47%
    Roasted 72.83%
    Onion 71.24%
    Coffee 65.81%
    Garlic 65.75%
    Meaty 64.84%
    Alliaceous 64.65%
    Savory 56.69%
    Cooked 47.29%
    Burnt 44.19%

     

    Flavor
    Sulfury 74.32%
    Onion 69.44%
    Meaty 68.37%
    Roasted 66.32%
    Coffee 63.31%
    Garlic 51.4%
    Sulfurous 50.44%
    Cabbage 45.38%
    Alliaceous 40.73%
    Burnt 40.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    4.83 (weak acid)

    Molecular weight
    160.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 64.00 to 65.00 °C. @ 15.00 mm Hg

    Flash point

    • 88.84 ˚C est.

    Solubility expt.

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

  • Synonyms

    • Methyl furfuryl disulfide
    • Furfuryl methyl disulfide
    • 57500-00-2
    • 2-((Methyldisulfanyl)methyl)furan
    • Furan, 2-[(methyldithio)methyl]-
    • 2-[(Methyldisulfanyl)methyl]furan
    • Methyl 2-furylmethyl disulfide
    • 2-((Methyldithio)methyl)furan
    • 2-[(Methyldithio)methyl]furan
    • FEMA No. 3362
    • Furan, 2-((methyldithio)methyl)-
    • 1V1X0TA603
    • (2-Furanylmethyl) methyl disulfide
    • EINECS 260-773-7
    • Furfuryl methyl disulphide
    • 2-Furfuryl methyl disulfide
    • DTXSID9069186
    • METHYL FURFURYL DISULFIDE [FHFI]
    • 2-[(methyldithio)methyl]-furan
    • 2-((Methyldithio)methyl)-Furan
    • C6H8OS2
    • Methylfurfuryldisulfide
    • UNII-1V1X0TA603
    • Furfurylmethyldisulfid
    • MFCD00012326
    • 2-Furfurylmethyl-disulphide
    • 2-Furfuryl methyl disulphide
    • SCHEMBL145300
    • 2-[(methyldisulanyl)methyl]uran
    • DTXCID2042228
    • Furan, 2-(methyldithio)methyl-
    • FEMA 3362
    • CHEBI:169297
    • 2-[(Methyldisulfanyl)methyl]furan #
    • AKOS015899706
    • CS-W016156
    • SB60966
    • Methyl furfuryl disulfide, >=95%, FG
    • 2-(Methyldithiomethyl)furan, 9CI, 8CI
    • BS-17104
    • DB-003721
    • DB-326421
    • F0561
    • NS00022406
    • D90679
    • Q18456602
    • 260-773-7

  • Applications

    Methyl furfuryl disulfide (CAS 57500-00-2) is a sulfur-containing aroma molecule naturally present at trace levels in roasted coffee, cocoa, onion, garlic and other thermally processed foods; in flavor manufacture it is applied as a key enhancer to boost roasted, malty, caramel, coffee, grilled-meat and soy-sauce notes, mask off-odors and deliver sensory depth to instant foods, soups, dry seasonings, BBQ sauces, meat-flavored snacks, coffee beverages, tobacco and UHT dairy products; because of its extremely low odor threshold, only minute ppm/ppb doses are needed, providing cost efficiency and minimal side effects; additionally the compound serves as an analytical standard in Maillard reaction studies, a synthetic intermediate for complex thiophenic-sulfide flavor ingredients, and a probe for antimicrobial and antioxidant potential in advanced food packaging materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 800.44
    methanol 787.3
    isopropanol 652.42
    water 7.75
    ethyl acetate 953.33
    n-propanol 650.96
    acetone 1284.6
    n-butanol 574.41
    acetonitrile 1318.76
    DMF 1757.43
    toluene 1486.31
    isobutanol 533.58
    1,4-dioxane 2701.44
    methyl acetate 1247.87
    THF 1727.64
    2-butanone 1180.13
    n-pentanol 433.82
    sec-butanol 629.36
    n-hexane 93.59
    ethylene glycol 416.94
    NMP 990.34
    cyclohexane 464.61
    DMSO 1814.33
    n-butyl acetate 496.53
    n-octanol 447.37
    chloroform 3276.5
    n-propyl acetate 517.71
    acetic acid 671.92
    dichloromethane 2783.43
    cyclohexanone 1605.77
    propylene glycol 499.99
    isopropyl acetate 446.71
    DMAc 1548.96
    2-ethoxyethanol 959.73
    isopentanol 443.1
    n-heptane 159.04
    ethyl formate 687.76
    1,2-dichloroethane 1338.27
    n-hexanol 498.83
    2-methoxyethanol 1370.96
    isobutyl acetate 317.59
    tetrachloromethane 558.21
    n-pentyl acetate 384.68
    transcutol 2271.19
    n-heptanol 297.81
    ethylbenzene 505.82
    MIBK 426.38
    2-propoxyethanol 935.46
    tert-butanol 692.86
    MTBE 576.65
    2-butoxyethanol 489.88
    propionic acid 640.27
    o-xylene 735.69
    formic acid 239.05
    diethyl ether 730.92
    m-xylene 686.81
    p-xylene 604.96
    chlorobenzene 1117.35
    dimethyl carbonate 431.53
    n-octane 75.18
    formamide 471.61
    cyclopentanone 1349.85
    2-pentanone 759.47
    anisole 907.99
    cyclopentyl methyl ether 979.76
    gamma-butyrolactone 1224.37
    1-methoxy-2-propanol 1013.64
    pyridine 2419.13
    3-pentanone 752.91
    furfural 1462.95
    n-dodecane 76.05
    diethylene glycol 903.3
    diisopropyl ether 219.74
    tert-amyl alcohol 605.28
    acetylacetone 933.77
    n-hexadecane 87.08
    acetophenone 811.6
    methyl propionate 896.14
    isopentyl acetate 391.08
    trichloroethylene 2538.34
    n-nonanol 385.98
    cyclohexanol 944.82
    benzyl alcohol 847.45
    2-ethylhexanol 370.63
    isooctanol 239.58
    dipropyl ether 474.8
    1,2-dichlorobenzene 828.79
    ethyl lactate 312.48
    propylene carbonate 700.13
    n-methylformamide 872.91
    2-pentanol 416.62
    n-pentane 123.3
    1-propoxy-2-propanol 677.21
    1-methoxy-2-propyl acetate 565.65
    2-(2-methoxypropoxy) propanol 563.31
    mesitylene 362.55
    ε-caprolactone 1087.05
    p-cymene 295.04
    epichlorohydrin 1457.82
    1,1,1-trichloroethane 1398.2
    2-aminoethanol 575.1
    morpholine-4-carbaldehyde 1798.55
    sulfolane 1203.48
    2,2,4-trimethylpentane 64.57
    2-methyltetrahydrofuran 1314.25
    n-hexyl acetate 583.91
    isooctane 49.58
    2-(2-butoxyethoxy)ethanol 800.41
    sec-butyl acetate 321.42
    tert-butyl acetate 418.21
    decalin 149.43
    glycerin 648.46
    diglyme 1395.51
    acrylic acid 608.44
    isopropyl myristate 256.12
    n-butyric acid 640.36
    acetyl acetate 600.07
    di(2-ethylhexyl) phthalate 236.81
    ethyl propionate 449.21
    nitromethane 1313.84
    1,2-diethoxyethane 841.45
    benzonitrile 1113.45
    trioctyl phosphate 173.38
    1-bromopropane 759.57
    gamma-valerolactone 1876.54
    n-decanol 302.44
    triethyl phosphate 220.37
    4-methyl-2-pentanol 238.88
    propionitrile 921.37
    vinylene carbonate 885.04
    1,1,2-trichlorotrifluoroethane 1133.4
    DMS 535.56
    cumene 265.59
    2-octanol 255.32
    2-hexanone 541.22
    octyl acetate 324.14
    limonene 410.72
    1,2-dimethoxyethane 1412.29
    ethyl orthosilicate 218.73
    tributyl phosphate 207.3
    diacetone alcohol 540.38
    N,N-dimethylaniline 568.81
    acrylonitrile 1190.54
    aniline 1194.11
    1,3-propanediol 658.86
    bromobenzene 1329.59
    dibromomethane 1862.63
    1,1,2,2-tetrachloroethane 1962.86
    2-methyl-cyclohexyl acetate 370.13
    tetrabutyl urea 312.45
    diisobutyl methanol 220.76
    2-phenylethanol 644.75
    styrene 732.64
    dioctyl adipate 337.17
    dimethyl sulfate 564.16
    ethyl butyrate 427.74
    methyl lactate 444.17
    butyl lactate 325.85
    diethyl carbonate 321.73
    propanediol butyl ether 650.25
    triethyl orthoformate 322.46
    p-tert-butyltoluene 272.1
    methyl 4-tert-butylbenzoate 484.88
    morpholine 2418.81
    tert-butylamine 449.29
    n-dodecanol 251.47
    dimethoxymethane 1137.43
    ethylene carbonate 722.09
    cyrene 542.65
    2-ethoxyethyl acetate 620.81
    2-ethylhexyl acetate 348.25
    1,2,4-trichlorobenzene 1020.87
    4-methylpyridine 1986.67
    dibutyl ether 472.34
    2,6-dimethyl-4-heptanol 220.76
    DEF 964.36
    dimethyl isosorbide 732.99
    tetrachloroethylene 1295.26
    eugenol 488.29
    triacetin 609.87
    span 80 575.71
    1,4-butanediol 379.51
    1,1-dichloroethane 1425.23
    2-methyl-1-pentanol 343.16
    methyl formate 713.46
    2-methyl-1-butanol 449.82
    n-decane 118.98
    butyronitrile 787.82
    3,7-dimethyl-1-octanol 372.38
    1-chlorooctane 345.66
    1-chlorotetradecane 157.93
    n-nonane 119.3
    undecane 91.64
    tert-butylcyclohexane 102.64
    cyclooctane 157.63
    cyclopentanol 797.71
    tetrahydropyran 1915.37
    tert-amyl methyl ether 490.79
    2,5,8-trioxanonane 1009.62
    1-hexene 276.44
    2-isopropoxyethanol 610.25
    2,2,2-trifluoroethanol 304.84
    methyl butyrate 588.3

    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