3-(Cyclohexyldisulfanyl)-2-methylfuran

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  • Identifiers

    CAS number
    61197-12-4

    Molecular formula
    C11H16OS2

    SMILES
    CC1=C(C=CO1)SSC2CCCCC2

  • Odor profile

    Fragrance
    Meaty 74.67%
    Roasted 61.11%
    Sulfurous 57.45%
    Sweet 48.02%
    Savory 41.84%
    Onion 39.26%
    Cooked 36.09%
    Beefy 36.03%
    Coffee 33.87%
    Nutty 31.32%

     

    Flavor
    Roasted 54.89%
    Meaty 49.5%
    Sulfury 46.43%
    Sulfurous 44.08%
    Onion 43.51%
    Coffee 35.76%
    Chicken 31.63%
    Alliaceous 30.63%
    Vegetable 30.0%
    Metallic 29.76%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    5.33 (weak acid)

    Molecular weight
    228.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    313°C

    Flash point

    • 134.18 ˚C est.

  • Synonyms

    • 3-(Cyclohexyldisulfanyl)-2-methylfuran
    • 61197-12-4
    • SCHEMBL11618995
    • DTXSID70605021
    • UGZUDYKFHPGWKU-UHFFFAOYSA-N
    • CYCLOHEXYL(2-METHYL-3-FURYL)-DISULFIDE

  • Applications

    3-(Cyclohexyldisulfanyl)-2-methylfuran, CAS 61197-12-4, is used as a sulfur-containing intermediate with potential fragrance-related applications. In perfumery and cosmetics, it may serve as an odorant or fragrance intermediate. In household and cleaning products, it may be evaluated as a fragrance additive. In industrial manufacturing, it can function as an intermediate for the synthesis of sulfur-containing compounds; in the polymers/plastics field, it may be considered as a chain-length modifier or disulfide component participating in polymer synthesis. In coatings and inks, it could be evaluated as a fragrance-related additive or reactive component to improve surface properties. Its use is formulation-dependent and subject to local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 897.27
    methanol 523.83
    isopropanol 655.26
    water 0.03
    ethyl acetate 4398.5
    n-propanol 799.66
    acetone 7516.91
    n-butanol 701.46
    acetonitrile 2142.3
    DMF 7503.49
    toluene 3798.21
    isobutanol 583.51
    1,4-dioxane 9247.33
    methyl acetate 3758.78
    THF 9479.17
    2-butanone 4736.95
    n-pentanol 401.73
    sec-butanol 611.11
    n-hexane 49.8
    ethylene glycol 140.19
    NMP 5003.55
    cyclohexane 473.05
    DMSO 5621.34
    n-butyl acetate 1733.01
    n-octanol 232.15
    chloroform 9100.66
    n-propyl acetate 1557.14
    acetic acid 1026.13
    dichloromethane 10024.3
    cyclohexanone 8554.75
    propylene glycol 325.77
    isopropyl acetate 2140.62
    DMAc 4362.39
    2-ethoxyethanol 1224.47
    isopentanol 623.05
    n-heptane 58.03
    ethyl formate 1732.77
    1,2-dichloroethane 7230.13
    n-hexanol 457.53
    2-methoxyethanol 2619.8
    isobutyl acetate 868.79
    tetrachloromethane 928.51
    n-pentyl acetate 891.7
    transcutol 7264.23
    n-heptanol 188.01
    ethylbenzene 749.36
    MIBK 1494.53
    2-propoxyethanol 1338.21
    tert-butanol 863.71
    MTBE 2075.94
    2-butoxyethanol 598.91
    propionic acid 1016.68
    o-xylene 1183.75
    formic acid 164.28
    diethyl ether 2931.39
    m-xylene 1298.97
    p-xylene 896.76
    chlorobenzene 4191.5
    dimethyl carbonate 1386.71
    n-octane 22.98
    formamide 645.11
    cyclopentanone 9061.8
    2-pentanone 3671.55
    anisole 2319.67
    cyclopentyl methyl ether 3993.46
    gamma-butyrolactone 7728.99
    1-methoxy-2-propanol 1800.33
    pyridine 9061.94
    3-pentanone 3064.92
    furfural 6362.82
    n-dodecane 22.98
    diethylene glycol 909.17
    diisopropyl ether 568.53
    tert-amyl alcohol 673.16
    acetylacetone 5469.49
    n-hexadecane 30.43
    acetophenone 1903.27
    methyl propionate 3262.79
    isopentyl acetate 1406.0
    trichloroethylene 14646.45
    n-nonanol 230.71
    cyclohexanol 1426.28
    benzyl alcohol 1273.12
    2-ethylhexanol 348.25
    isooctanol 178.91
    dipropyl ether 784.31
    1,2-dichlorobenzene 2976.44
    ethyl lactate 452.75
    propylene carbonate 3224.41
    n-methylformamide 2270.9
    2-pentanol 488.93
    n-pentane 69.09
    1-propoxy-2-propanol 998.75
    1-methoxy-2-propyl acetate 2343.58
    2-(2-methoxypropoxy) propanol 886.67
    mesitylene 623.65
    ε-caprolactone 4982.45
    p-cymene 319.71
    epichlorohydrin 9748.25
    1,1,1-trichloroethane 5538.77
    2-aminoethanol 345.53
    morpholine-4-carbaldehyde 6905.24
    sulfolane 6931.73
    2,2,4-trimethylpentane 49.63
    2-methyltetrahydrofuran 6175.51
    n-hexyl acetate 1149.46
    isooctane 41.85
    2-(2-butoxyethoxy)ethanol 1429.45
    sec-butyl acetate 1027.17
    tert-butyl acetate 2117.61
    decalin 121.13
    glycerin 434.14
    diglyme 3328.2
    acrylic acid 865.44
    isopropyl myristate 426.32
    n-butyric acid 1597.82
    acetyl acetate 2463.12
    di(2-ethylhexyl) phthalate 398.2
    ethyl propionate 1381.72
    nitromethane 4722.31
    1,2-diethoxyethane 2772.58
    benzonitrile 2380.61
    trioctyl phosphate 230.96
    1-bromopropane 2305.41
    gamma-valerolactone 11158.09
    n-decanol 172.48
    triethyl phosphate 431.72
    4-methyl-2-pentanol 265.12
    propionitrile 1576.54
    vinylene carbonate 3284.19
    1,1,2-trichlorotrifluoroethane 3711.51
    DMS 1529.47
    cumene 322.53
    2-octanol 155.68
    2-hexanone 1378.64
    octyl acetate 525.53
    limonene 540.78
    1,2-dimethoxyethane 3247.5
    ethyl orthosilicate 417.93
    tributyl phosphate 364.18
    diacetone alcohol 1566.25
    N,N-dimethylaniline 881.78
    acrylonitrile 2273.37
    aniline 2984.25
    1,3-propanediol 699.72
    bromobenzene 5014.28
    dibromomethane 5355.87
    1,1,2,2-tetrachloroethane 9560.62
    2-methyl-cyclohexyl acetate 812.77
    tetrabutyl urea 473.63
    diisobutyl methanol 232.07
    2-phenylethanol 981.69
    styrene 1426.28
    dioctyl adipate 674.96
    dimethyl sulfate 2051.51
    ethyl butyrate 1097.49
    methyl lactate 877.61
    butyl lactate 574.16
    diethyl carbonate 708.33
    propanediol butyl ether 661.09
    triethyl orthoformate 732.82
    p-tert-butyltoluene 320.85
    methyl 4-tert-butylbenzoate 902.88
    morpholine 9300.04
    tert-butylamine 483.6
    n-dodecanol 134.46
    dimethoxymethane 4562.86
    ethylene carbonate 2702.22
    cyrene 984.54
    2-ethoxyethyl acetate 2107.49
    2-ethylhexyl acetate 1142.73
    1,2,4-trichlorobenzene 3609.99
    4-methylpyridine 7296.38
    dibutyl ether 725.18
    2,6-dimethyl-4-heptanol 232.07
    DEF 3987.75
    dimethyl isosorbide 2007.06
    tetrachloroethylene 4687.32
    eugenol 763.26
    triacetin 1468.2
    span 80 716.63
    1,4-butanediol 227.57
    1,1-dichloroethane 5413.82
    2-methyl-1-pentanol 385.72
    methyl formate 1939.3
    2-methyl-1-butanol 591.12
    n-decane 38.74
    butyronitrile 1491.62
    3,7-dimethyl-1-octanol 318.42
    1-chlorooctane 284.29
    1-chlorotetradecane 114.0
    n-nonane 33.82
    undecane 28.57
    tert-butylcyclohexane 80.25
    cyclooctane 120.55
    cyclopentanol 1283.05
    tetrahydropyran 8010.41
    tert-amyl methyl ether 1242.01
    2,5,8-trioxanonane 1940.53
    1-hexene 311.33
    2-isopropoxyethanol 791.46
    2,2,2-trifluoroethanol 379.37
    methyl butyrate 1846.31

    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