(Methylthio)cyclohexane

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  • Identifiers

    CAS number
    7133-37-1

    Molecular formula
    C7H14S

    SMILES
    CSC1CCCCC1

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 75.65%
    Onion 62.18%
    Alliaceous 60.0%
    Green 57.86%
    Vegetable 54.37%
    Garlic 50.84%
    Meaty 48.57%
    Tropical 45.85%
    Savory 41.08%
    Roasted 33.07%

     

    Flavor
    Sulfurous 41.2%
    Green 32.57%
    Onion 27.29%
    Alliaceous 25.04%
    Garlic 24.57%
    Ammoniacal 24.14%
    Vegetable 23.35%
    Alkaline 23.11%
    Shrimp 23.04%
    Tropical 22.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.08 (neutral)

    Molecular weight
    130.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    174°C

    Flash point

    • 53.85 ˚C est.

  • Synonyms

    • 7133-37-1
    • (Methylthio)cyclohexane
    • DTXSID70221523
    • RefChem:1050989
    • DTXCID00144014
    • 230-431-1
    • Cyclohexyl methyl sulfide
    • methylsulfanylcyclohexane
    • (Methylsulfanyl)cyclohexane
    • Sulfide, cyclohexyl methyl
    • Cyclohexane, (methylthio)-
    • MFCD00039460
    • Methylthiocyclohexane
    • CYCLOHEXYL METHYL SULPHIDE
    • EINECS 230-431-1
    • Methylcyclohexylsulfide
    • methylsulanylcyclohexane
    • cyclohexyl(methyl)sulfane
    • c-C6H11SCH3
    • (Methylsulfanyl)cyclohexane #
    • SCHEMBL199624
    • SCHEMBL199625
    • SCHEMBL261771
    • SCHEMBL472269
    • SCHEMBL724329
    • SCHEMBL1990874
    • SCHEMBL4194212
    • SCHEMBL4357260
    • SCHEMBL6523704
    • SCHEMBL17644332
    • CHEBI:167082
    • AKOS005207112
    • DB-055515
    • CS-0455111
    • NS00037185
    • 7133-37-1

  • Applications

    Methylthio cyclohexane (CAS 7133-37-1) is primarily used as an organic synthesis intermediate, providing a sulfur-containing building block for more complex compounds in pharmaceutical, agrochemical, and other industrial manufacturing applications. It is also encountered as a fragrance ingredient or precursor in perfumery and cosmetics, contributing to distinctive notes and potentially acting as a fragrance fixative. In coatings, inks, and related formulations, it may be used as a specialty chemical intermediate to diversify formulation options. It may also be evaluated for use in household products as part of fragrance systems, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1155.95
    methanol 551.79
    isopropanol 1250.21
    water 0.05
    ethyl acetate 3251.32
    n-propanol 1455.1
    acetone 3844.63
    n-butanol 1603.07
    acetonitrile 1999.72
    DMF 1698.06
    toluene 2664.46
    isobutanol 1180.95
    1,4-dioxane 5043.42
    methyl acetate 2304.86
    THF 8109.41
    2-butanone 3263.0
    n-pentanol 909.02
    sec-butanol 1296.96
    n-hexane 1043.65
    ethylene glycol 75.6
    NMP 2183.99
    cyclohexane 2543.41
    DMSO 2449.03
    n-butyl acetate 5376.33
    n-octanol 838.67
    chloroform 6224.3
    n-propyl acetate 2047.74
    acetic acid 727.9
    dichloromethane 5142.4
    cyclohexanone 5984.26
    propylene glycol 188.94
    isopropyl acetate 2114.17
    DMAc 1185.4
    2-ethoxyethanol 879.32
    isopentanol 1395.2
    n-heptane 1781.49
    ethyl formate 1465.91
    1,2-dichloroethane 3877.87
    n-hexanol 2085.99
    2-methoxyethanol 1452.36
    isobutyl acetate 1200.04
    tetrachloromethane 1905.25
    n-pentyl acetate 1828.18
    transcutol 3486.06
    n-heptanol 832.51
    ethylbenzene 814.05
    MIBK 1782.73
    2-propoxyethanol 2199.46
    tert-butanol 1698.24
    MTBE 2678.54
    2-butoxyethanol 1085.41
    propionic acid 1047.47
    o-xylene 1163.17
    formic acid 72.88
    diethyl ether 3940.49
    m-xylene 1315.45
    p-xylene 1005.87
    chlorobenzene 2689.77
    dimethyl carbonate 507.73
    n-octane 484.61
    formamide 158.84
    cyclopentanone 5741.6
    2-pentanone 3255.22
    anisole 1300.66
    cyclopentyl methyl ether 4332.04
    gamma-butyrolactone 4507.66
    1-methoxy-2-propanol 1332.41
    pyridine 4445.94
    3-pentanone 2395.93
    furfural 2845.3
    n-dodecane 229.3
    diethylene glycol 709.54
    diisopropyl ether 1395.11
    tert-amyl alcohol 1364.01
    acetylacetone 2590.68
    n-hexadecane 275.13
    acetophenone 995.44
    methyl propionate 1843.57
    isopentyl acetate 3346.07
    trichloroethylene 5513.23
    n-nonanol 731.92
    cyclohexanol 2166.31
    benzyl alcohol 699.9
    2-ethylhexanol 1778.11
    isooctanol 710.47
    dipropyl ether 4220.41
    1,2-dichlorobenzene 2014.75
    ethyl lactate 423.86
    propylene carbonate 2415.86
    n-methylformamide 784.2
    2-pentanol 1269.33
    n-pentane 1008.3
    1-propoxy-2-propanol 2279.45
    1-methoxy-2-propyl acetate 2333.34
    2-(2-methoxypropoxy) propanol 680.79
    mesitylene 890.2
    ε-caprolactone 4004.15
    p-cymene 931.04
    epichlorohydrin 4423.86
    1,1,1-trichloroethane 4735.41
    2-aminoethanol 255.17
    morpholine-4-carbaldehyde 2286.26
    sulfolane 3880.56
    2,2,4-trimethylpentane 342.68
    2-methyltetrahydrofuran 6323.56
    n-hexyl acetate 1875.34
    isooctane 340.98
    2-(2-butoxyethoxy)ethanol 1102.74
    sec-butyl acetate 1285.15
    tert-butyl acetate 2247.46
    decalin 590.51
    glycerin 225.47
    diglyme 2522.2
    acrylic acid 611.15
    isopropyl myristate 807.42
    n-butyric acid 2210.3
    acetyl acetate 1585.55
    di(2-ethylhexyl) phthalate 396.7
    ethyl propionate 1545.45
    nitromethane 1658.6
    1,2-diethoxyethane 3511.3
    benzonitrile 1747.61
    trioctyl phosphate 383.36
    1-bromopropane 3886.28
    gamma-valerolactone 4729.26
    n-decanol 527.16
    triethyl phosphate 690.81
    4-methyl-2-pentanol 704.36
    propionitrile 2248.9
    vinylene carbonate 1937.44
    1,1,2-trichlorotrifluoroethane 1582.68
    DMS 915.71
    cumene 488.16
    2-octanol 632.64
    2-hexanone 2041.36
    octyl acetate 879.18
    limonene 1950.63
    1,2-dimethoxyethane 2553.25
    ethyl orthosilicate 716.4
    tributyl phosphate 519.39
    diacetone alcohol 1415.79
    N,N-dimethylaniline 652.0
    acrylonitrile 1923.17
    aniline 1725.7
    1,3-propanediol 585.3
    bromobenzene 3339.88
    dibromomethane 4473.54
    1,1,2,2-tetrachloroethane 4454.29
    2-methyl-cyclohexyl acetate 1310.45
    tetrabutyl urea 673.74
    diisobutyl methanol 1085.13
    2-phenylethanol 1131.38
    styrene 1193.92
    dioctyl adipate 807.52
    dimethyl sulfate 650.01
    ethyl butyrate 3139.98
    methyl lactate 425.07
    butyl lactate 870.53
    diethyl carbonate 1432.93
    propanediol butyl ether 650.35
    triethyl orthoformate 1704.09
    p-tert-butyltoluene 878.23
    methyl 4-tert-butylbenzoate 800.41
    morpholine 4907.24
    tert-butylamine 1435.94
    n-dodecanol 414.76
    dimethoxymethane 1753.02
    ethylene carbonate 2055.54
    cyrene 608.71
    2-ethoxyethyl acetate 1697.28
    2-ethylhexyl acetate 2843.4
    1,2,4-trichlorobenzene 1966.96
    4-methylpyridine 3784.19
    dibutyl ether 2583.96
    2,6-dimethyl-4-heptanol 1085.13
    DEF 2465.56
    dimethyl isosorbide 1616.45
    tetrachloroethylene 3048.13
    eugenol 604.49
    triacetin 1033.83
    span 80 808.57
    1,4-butanediol 193.35
    1,1-dichloroethane 4346.45
    2-methyl-1-pentanol 768.87
    methyl formate 656.85
    2-methyl-1-butanol 1215.29
    n-decane 458.18
    butyronitrile 3060.64
    3,7-dimethyl-1-octanol 950.33
    1-chlorooctane 1177.07
    1-chlorotetradecane 408.16
    n-nonane 536.95
    undecane 305.19
    tert-butylcyclohexane 484.52
    cyclooctane 920.09
    cyclopentanol 2135.96
    tetrahydropyran 7309.07
    tert-amyl methyl ether 1839.29
    2,5,8-trioxanonane 1320.14
    1-hexene 2119.09
    2-isopropoxyethanol 747.94
    2,2,2-trifluoroethanol 216.26
    methyl butyrate 2082.95

    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