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

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  • Identifiers

    CAS number
    61197-06-6

    Molecular formula
    C7H10OS2

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

  • Odor profile

    Fragrance
    Meaty 81.02%
    Roasted 77.84%
    Sulfurous 73.41%
    Savory 48.85%
    Onion 48.4%
    Coffee 47.75%
    Beefy 44.15%
    Cooked 42.66%
    Burnt 40.22%
    Garlic 32.95%

     

    Flavor
    Roasted 68.09%
    Meaty 67.32%
    Sulfury 60.63%
    Onion 54.88%
    Coffee 52.24%
    Burnt 45.58%
    Sulfurous 42.67%
    Roast 38.12%
    Nutty 34.44%
    Garlic 34.4%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    5.19 (weak acid)

    Molecular weight
    174.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • 45.00 °C. @ 760.00 mm Hg

    Boiling point

    • 284.00 °C. @ 760.00 mm Hg

    Flash point

    • 90.95 ˚C est.

  • Synonyms

    • 2,5-dimethyl-3-(methyldithio)furan
    • 61197-06-6
    • 2,5-dimethyl-3-(methyldisulfanyl)furan
    • DTXSID10605020
    • 2,5-Dimethyl-3-furanyl methyl disulfide
    • Furan, 2,5-dimethyl-3-(methyldithio)-
    • 43CN9R9NTV
    • DTXCID50555777
    • CHEBI:173795
    • 2,5-dimethyl-3-(methyldisulanyl)uran
    • 2,5-dimethyl-3-(methyl dithio) furan
    • 2,5-Dimethyl-3-(methyldisulphanyl)furan
    • NS00127410

  • Applications

    For 2,5-Dimethyl-3-(methyldithio)furan (CAS 61197-06-6), practical applications are mainly as an intermediate and fragrance odorant in the perfumery industry; it is used to synthesize sulfur-containing aroma compounds for fragrances and cosmetics, and can serve as an odorant component in consumer products for home care and cleaning; in industry, this compound is regarded as a building block for the synthesis of furan-based and sulfur-containing heterocycles, supporting applications in coatings, inks, and adhesives; additionally, it may be evaluated as a fragrance or aroma contributor in polymer and plastics formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 836.45
    methanol 905.56
    isopropanol 678.14
    water 8.76
    ethyl acetate 1542.36
    n-propanol 727.51
    acetone 2025.4
    n-butanol 699.0
    acetonitrile 1575.71
    DMF 2837.19
    toluene 1980.82
    isobutanol 592.48
    1,4-dioxane 3956.21
    methyl acetate 1717.61
    THF 3963.78
    2-butanone 1577.52
    n-pentanol 484.38
    sec-butanol 686.69
    n-hexane 239.27
    ethylene glycol 379.23
    NMP 2567.68
    cyclohexane 836.6
    DMSO 2007.85
    n-butyl acetate 842.58
    n-octanol 567.26
    chloroform 4854.47
    n-propyl acetate 839.75
    acetic acid 798.59
    dichloromethane 4625.87
    cyclohexanone 2977.74
    propylene glycol 386.97
    isopropyl acetate 881.6
    DMAc 2267.59
    2-ethoxyethanol 918.68
    isopentanol 544.79
    n-heptane 269.06
    ethyl formate 1092.2
    1,2-dichloroethane 2425.57
    n-hexanol 660.12
    2-methoxyethanol 1614.04
    isobutyl acetate 548.88
    tetrachloromethane 1126.49
    n-pentyl acetate 723.06
    transcutol 1679.21
    n-heptanol 371.91
    ethylbenzene 807.79
    MIBK 794.39
    2-propoxyethanol 1248.32
    tert-butanol 851.9
    MTBE 1057.52
    2-butoxyethanol 604.47
    propionic acid 721.13
    o-xylene 1051.42
    formic acid 272.64
    diethyl ether 1384.32
    m-xylene 1172.85
    p-xylene 886.6
    chlorobenzene 1897.35
    dimethyl carbonate 925.98
    n-octane 143.12
    formamide 523.15
    cyclopentanone 2990.0
    2-pentanone 1352.2
    anisole 1603.87
    cyclopentyl methyl ether 2121.25
    gamma-butyrolactone 2993.38
    1-methoxy-2-propanol 1219.05
    pyridine 2762.07
    3-pentanone 1283.2
    furfural 2667.68
    n-dodecane 140.94
    diethylene glycol 1039.63
    diisopropyl ether 488.82
    tert-amyl alcohol 706.01
    acetylacetone 1866.62
    n-hexadecane 161.91
    acetophenone 1190.82
    methyl propionate 1434.4
    isopentyl acetate 657.34
    trichloroethylene 4469.4
    n-nonanol 487.05
    cyclohexanol 1372.75
    benzyl alcohol 981.62
    2-ethylhexanol 479.57
    isooctanol 308.92
    dipropyl ether 791.53
    1,2-dichlorobenzene 1557.88
    ethyl lactate 443.41
    propylene carbonate 1544.01
    n-methylformamide 1190.21
    2-pentanol 527.08
    n-pentane 248.76
    1-propoxy-2-propanol 793.77
    1-methoxy-2-propyl acetate 995.04
    2-(2-methoxypropoxy) propanol 620.18
    mesitylene 686.35
    ε-caprolactone 2138.2
    p-cymene 453.73
    epichlorohydrin 3241.35
    1,1,1-trichloroethane 2805.73
    2-aminoethanol 489.41
    morpholine-4-carbaldehyde 3135.5
    sulfolane 2855.18
    2,2,4-trimethylpentane 131.02
    2-methyltetrahydrofuran 2703.25
    n-hexyl acetate 1046.05
    isooctane 103.39
    2-(2-butoxyethoxy)ethanol 845.97
    sec-butyl acetate 549.36
    tert-butyl acetate 901.59
    decalin 304.01
    glycerin 561.13
    diglyme 1688.14
    acrylic acid 707.66
    isopropyl myristate 472.0
    n-butyric acid 832.9
    acetyl acetate 1113.93
    di(2-ethylhexyl) phthalate 385.11
    ethyl propionate 849.34
    nitromethane 1927.19
    1,2-diethoxyethane 1066.62
    benzonitrile 1402.48
    trioctyl phosphate 297.82
    1-bromopropane 1340.35
    gamma-valerolactone 3581.2
    n-decanol 388.31
    triethyl phosphate 397.12
    4-methyl-2-pentanol 322.96
    propionitrile 1125.54
    vinylene carbonate 1713.4
    1,1,2-trichlorotrifluoroethane 1710.31
    DMS 1012.87
    cumene 476.68
    2-octanol 374.78
    2-hexanone 834.28
    octyl acetate 590.41
    limonene 699.64
    1,2-dimethoxyethane 2068.49
    ethyl orthosilicate 376.21
    tributyl phosphate 348.48
    diacetone alcohol 843.91
    N,N-dimethylaniline 939.45
    acrylonitrile 1353.53
    aniline 1427.85
    1,3-propanediol 663.03
    bromobenzene 2255.05
    dibromomethane 2887.87
    1,1,2,2-tetrachloroethane 3224.45
    2-methyl-cyclohexyl acetate 663.86
    tetrabutyl urea 485.42
    diisobutyl methanol 294.06
    2-phenylethanol 900.91
    styrene 1086.86
    dioctyl adipate 601.77
    dimethyl sulfate 1339.56
    ethyl butyrate 724.2
    methyl lactate 692.55
    butyl lactate 465.7
    diethyl carbonate 553.25
    propanediol butyl ether 589.09
    triethyl orthoformate 506.72
    p-tert-butyltoluene 464.28
    methyl 4-tert-butylbenzoate 785.14
    morpholine 3250.61
    tert-butylamine 587.68
    n-dodecanol 321.5
    dimethoxymethane 2142.61
    ethylene carbonate 1489.57
    cyrene 856.44
    2-ethoxyethyl acetate 1045.39
    2-ethylhexyl acetate 618.21
    1,2,4-trichlorobenzene 1745.59
    4-methylpyridine 2757.19
    dibutyl ether 718.46
    2,6-dimethyl-4-heptanol 294.06
    DEF 1510.89
    dimethyl isosorbide 1245.24
    tetrachloroethylene 2213.05
    eugenol 743.59
    triacetin 885.2
    span 80 641.48
    1,4-butanediol 330.11
    1,1-dichloroethane 2477.45
    2-methyl-1-pentanol 408.5
    methyl formate 1247.87
    2-methyl-1-butanol 556.15
    n-decane 211.67
    butyronitrile 1118.5
    3,7-dimethyl-1-octanol 489.54
    1-chlorooctane 615.46
    1-chlorotetradecane 287.7
    n-nonane 221.33
    undecane 166.57
    tert-butylcyclohexane 228.44
    cyclooctane 330.79
    cyclopentanol 1315.58
    tetrahydropyran 3080.55
    tert-amyl methyl ether 914.68
    2,5,8-trioxanonane 1168.45
    1-hexene 530.42
    2-isopropoxyethanol 643.07
    2,2,2-trifluoroethanol 441.93
    methyl butyrate 1012.73

    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