Furan, 3-(ethyldithio)-2-methyl-

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  • Identifiers

    CAS number
    61197-07-7

    Molecular formula
    C7H10OS2

    SMILES
    CCSSC1=C(OC=C1)C

    Safety labels

  • Odor profile

    Fragrance
    Meaty 80.83%
    Sulfurous 80.17%
    Roasted 75.11%
    Onion 56.71%
    Coffee 53.8%
    Savory 53.68%
    Beefy 48.55%
    Cooked 44.63%
    Garlic 43.26%
    Alliaceous 40.82%

     

    Flavor
    Onion 71.1%
    Sulfury 68.12%
    Meaty 65.97%
    Roasted 61.56%
    Sulfurous 53.55%
    Garlic 51.93%
    Coffee 48.6%
    Cabbage 41.87%
    Alliaceous 40.41%
    Burnt 37.97%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    4.97 (weak acid)

    Molecular weight
    174.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    224°C

    Flash point

    • 93.01 ˚C est.

  • Synonyms

    • Furan, 3-(ethyldithio)-2-methyl-
    • RefChem:607743
    • 3-(Ethyldithio)-2-methylfuran
    • 61197-07-7
    • 3-(ethyldisulfanyl)-2-methylfuran
    • 3-(Ethyldithio)-2-methyl-furan
    • EINECS 262-649-8
    • Furan, 3-(ethyldithio)-2-methyl
    • 2-methyl-3-(ethyldithio)furan
    • SCHEMBL9509697
    • 2-Methyl-3-(ethyldithio)-furan
    • DTXSID70210093
    • AKOS006305687
    • NS00034594
    • 197E077
    • 61197-07-7

  • Applications

    Furan, 3-(ethyldithio)-2-methyl- (CAS 61197-07-7) is primarily used as an organic synthesis intermediate and building block in chemical manufacturing. Real-world applications include pharmaceutical and agrochemical R&D as an intermediate for active ingredients, polymer and specialty resin production using furan chemistry, coatings and inks formulations where it serves as a reactive precursor, and fragrance-related applications as a potential odorant precursor. It may also be explored for advanced electronic or functional materials research, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 630.02
    methanol 617.25
    isopropanol 531.04
    water 2.29
    ethyl acetate 1343.92
    n-propanol 538.53
    acetone 2620.9
    n-butanol 517.98
    acetonitrile 1601.18
    DMF 4674.44
    toluene 1712.68
    isobutanol 442.92
    1,4-dioxane 3638.64
    methyl acetate 1893.59
    THF 3041.7
    2-butanone 1836.86
    n-pentanol 340.44
    sec-butanol 512.02
    n-hexane 61.55
    ethylene glycol 309.67
    NMP 3122.91
    cyclohexane 428.35
    DMSO 3530.82
    n-butyl acetate 861.67
    n-octanol 367.95
    chloroform 4679.2
    n-propyl acetate 759.99
    acetic acid 805.31
    dichloromethane 5220.49
    cyclohexanone 3426.65
    propylene glycol 336.47
    isopropyl acetate 726.61
    DMAc 3112.7
    2-ethoxyethanol 782.35
    isopentanol 418.36
    n-heptane 117.42
    ethyl formate 1161.88
    1,2-dichloroethane 2733.58
    n-hexanol 443.55
    2-methoxyethanol 1379.88
    isobutyl acetate 490.26
    tetrachloromethane 905.96
    n-pentyl acetate 643.36
    transcutol 1930.94
    n-heptanol 258.28
    ethylbenzene 577.15
    MIBK 673.68
    2-propoxyethanol 948.43
    tert-butanol 736.76
    MTBE 822.79
    2-butoxyethanol 494.46
    propionic acid 704.99
    o-xylene 912.46
    formic acid 205.75
    diethyl ether 851.23
    m-xylene 855.59
    p-xylene 765.62
    chlorobenzene 2002.26
    dimethyl carbonate 859.83
    n-octane 65.42
    formamide 570.26
    cyclopentanone 3202.86
    2-pentanone 1265.44
    anisole 1405.9
    cyclopentyl methyl ether 1360.32
    gamma-butyrolactone 2985.25
    1-methoxy-2-propanol 980.12
    pyridine 3194.95
    3-pentanone 1255.12
    furfural 3345.31
    n-dodecane 72.57
    diethylene glycol 867.86
    diisopropyl ether 280.53
    tert-amyl alcohol 599.2
    acetylacetone 1907.91
    n-hexadecane 86.68
    acetophenone 1239.76
    methyl propionate 1297.25
    isopentyl acetate 702.48
    trichloroethylene 5308.53
    n-nonanol 335.53
    cyclohexanol 1062.56
    benzyl alcohol 961.8
    2-ethylhexanol 344.72
    isooctanol 223.5
    dipropyl ether 508.38
    1,2-dichlorobenzene 1692.88
    ethyl lactate 376.22
    propylene carbonate 1600.89
    n-methylformamide 1513.44
    2-pentanol 350.07
    n-pentane 84.8
    1-propoxy-2-propanol 654.01
    1-methoxy-2-propyl acetate 976.33
    2-(2-methoxypropoxy) propanol 619.75
    mesitylene 506.58
    ε-caprolactone 2140.2
    p-cymene 374.33
    epichlorohydrin 3167.15
    1,1,1-trichloroethane 2941.84
    2-aminoethanol 418.69
    morpholine-4-carbaldehyde 3558.23
    sulfolane 3605.64
    2,2,4-trimethylpentane 66.88
    2-methyltetrahydrofuran 2058.78
    n-hexyl acetate 870.03
    isooctane 51.95
    2-(2-butoxyethoxy)ethanol 801.86
    sec-butyl acetate 478.09
    tert-butyl acetate 788.63
    decalin 156.28
    glycerin 508.43
    diglyme 1772.9
    acrylic acid 748.28
    isopropyl myristate 409.77
    n-butyric acid 804.84
    acetyl acetate 1085.81
    di(2-ethylhexyl) phthalate 379.17
    ethyl propionate 668.33
    nitromethane 2632.57
    1,2-diethoxyethane 1083.56
    benzonitrile 1747.21
    trioctyl phosphate 267.06
    1-bromopropane 1061.81
    gamma-valerolactone 4038.36
    n-decanol 272.14
    triethyl phosphate 364.74
    4-methyl-2-pentanol 223.16
    propionitrile 1117.76
    vinylene carbonate 1926.75
    1,1,2-trichlorotrifluoroethane 1811.52
    DMS 1042.35
    cumene 320.81
    2-octanol 241.19
    2-hexanone 797.28
    octyl acetate 495.36
    limonene 592.73
    1,2-dimethoxyethane 1928.89
    ethyl orthosilicate 336.13
    tributyl phosphate 338.53
    diacetone alcohol 800.59
    N,N-dimethylaniline 774.96
    acrylonitrile 1656.7
    aniline 1348.12
    1,3-propanediol 568.69
    bromobenzene 2469.16
    dibromomethane 2804.88
    1,1,2,2-tetrachloroethane 3499.44
    2-methyl-cyclohexyl acetate 610.25
    tetrabutyl urea 491.65
    diisobutyl methanol 227.34
    2-phenylethanol 809.54
    styrene 894.49
    dioctyl adipate 576.15
    dimethyl sulfate 1464.73
    ethyl butyrate 708.3
    methyl lactate 599.96
    butyl lactate 450.52
    diethyl carbonate 532.98
    propanediol butyl ether 543.92
    triethyl orthoformate 478.09
    p-tert-butyltoluene 371.4
    methyl 4-tert-butylbenzoate 799.83
    morpholine 2793.18
    tert-butylamine 445.53
    n-dodecanol 228.18
    dimethoxymethane 1839.14
    ethylene carbonate 1520.85
    cyrene 827.22
    2-ethoxyethyl acetate 1004.66
    2-ethylhexyl acetate 617.31
    1,2,4-trichlorobenzene 1939.23
    4-methylpyridine 2996.61
    dibutyl ether 529.74
    2,6-dimethyl-4-heptanol 227.34
    DEF 1671.14
    dimethyl isosorbide 1262.47
    tetrachloroethylene 2271.71
    eugenol 753.83
    triacetin 949.54
    span 80 627.6
    1,4-butanediol 270.63
    1,1-dichloroethane 2532.45
    2-methyl-1-pentanol 319.4
    methyl formate 1549.83
    2-methyl-1-butanol 425.95
    n-decane 103.79
    butyronitrile 1054.14
    3,7-dimethyl-1-octanol 364.11
    1-chlorooctane 380.4
    1-chlorotetradecane 192.19
    n-nonane 99.07
    undecane 85.01
    tert-butylcyclohexane 115.63
    cyclooctane 133.64
    cyclopentanol 982.44
    tetrahydropyran 2507.09
    tert-amyl methyl ether 658.74
    2,5,8-trioxanonane 1312.12
    1-hexene 241.57
    2-isopropoxyethanol 549.22
    2,2,2-trifluoroethanol 407.07
    methyl butyrate 949.76

    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