Cyclohexanethiol

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  • Identifiers

    CAS number
    1569-69-3

    Molecular formula
    C6H12S

    SMILES
    C1CCC(CC1)S

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sulfurous 84.92%
    Meaty 75.51%
    Onion 66.79%
    Garlic 63.89%
    Alliaceous 62.25%
    Vegetable 54.49%
    Savory 49.71%
    Roasted 48.76%
    Burnt 43.84%
    Cooked 39.31%

     

    Flavor
    Sulfurous 39.26%
    Ammoniacal 37.86%
    Animal 35.19%
    Egg 31.29%
    Fishy 28.31%
    Amine 28.27%
    Roasted 27.05%
    Alkaline 26.68%
    Sweet 25.2%
    Onion 24.78%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.88 (weak base)

    Molecular weight
    116.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -181 °F (NIOSH, 2024)
    • -118 °C
    • -181 °F

    Boiling point

    • 316 °F at 760 mmHg (NIOSH, 2024)
    • 158.9 °C @ 760 MM HG
    • 158 °C
    • 316 °F

    Flash point

    • 40.84 ˚C est.
    • 110 °F (NIOSH, 2024)
    • 43 °C
    • 110 °F; 43 °C (CLOSED CUP)
    • 43 °C c.c.
    • 110 °F

    Solubility expt.

    • Insoluble (NIOSH, 2024)
    • SOL IN ALCOHOL, ETHER, ACETONE, BENZENE, CHLOROFORM
    • Soluble in oxygenated and chlorinated solvents.
    • Solubility in water: none
    • Insoluble

  • Synonyms

    • CYCLOHEXANETHIOL
    • Cyclohexyl mercaptan
    • 1569-69-3
    • Cyclohexyl thiol
    • Cyclohexylmercaptan
    • Cyclohexylthiol
    • Cyklohexylmerkaptan
    • Cyklohexanthiol
    • Hexahydrothiophenol
    • Cyklohexanthiol [Czech]
    • Mercaptocyclohexane
    • Cyklohexylmerkaptan [Czech]
    • HSDB 5840
    • EINECS 216-378-7
    • UNII-N8HOD9900V
    • NSC 59723
    • UN3054
    • BRN 1236342
    • DTXSID2027416
    • NSC-59723
    • CYCLOHEXANETHIOL [HSDB]
    • DTXCID207416
    • N8HOD9900V
    • EC 216-378-7
    • 4-06-00-00072 (Beilstein Handbook Reference)
    • Cyklohexanthiol (Czech)
    • CYKLOHEXYLMERKAPTAN (CZECH)
    • cyclohexanthiol
    • cyclohexane thiol
    • cyclohexane-thiol
    • cyclohexyl-mercaptan
    • Cyclohexanethiol, 97%
    • WLN: L6TJ ASH
    • SCHEMBL42570
    • CHEMBL3187982
    • NSC59723
    • Tox21_200454
    • MFCD00001455
    • STL264220
    • AKOS000120381
    • AT31490
    • NCGC00248628-01
    • NCGC00258008-01
    • CAS-1569-69-3
    • NS00048597
    • EN300-21362
    • A809789
    • Cyclohexyl mercaptan [UN3054] [Flammable liquid]
    • Q2577578
    • F0001-0558

  • Applications

    Cyclohexanethiol (CAS 1569-69-3) is used primarily as an odorant ingredient in fragrance, cosmetics, and household care products, providing a sulfur-related note and can function as a fragrance component in formulations. It is also regarded as a chemical intermediate for the synthesis of sulfur-containing compounds or cyclohexyl derivatives in industrial manufacturing. In polymer technology, the thiol group enables it to act as a chain-transfer agent to help control molecular weight and polymer architecture. Additionally, it may be evaluated as a precursor for materials in plastics, rubber, and coatings, depending on formulation constraints and local regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 204.19
    methanol 172.91
    isopropanol 149.09
    water 0.08
    ethyl acetate 339.64
    n-propanol 191.1
    acetone 332.77
    n-butanol 225.49
    acetonitrile 160.71
    DMF 157.11
    toluene 229.05
    isobutanol 122.22
    1,4-dioxane 597.09
    methyl acetate 215.19
    THF 1100.51
    2-butanone 312.98
    n-pentanol 143.93
    sec-butanol 159.87
    n-hexane 118.66
    ethylene glycol 20.07
    NMP 257.09
    cyclohexane 189.18
    DMSO 242.32
    n-butyl acetate 624.33
    n-octanol 112.69
    chloroform 827.06
    n-propyl acetate 228.02
    acetic acid 147.94
    dichloromethane 598.91
    cyclohexanone 510.54
    propylene glycol 38.39
    isopropyl acetate 211.58
    DMAc 130.2
    2-ethoxyethanol 148.11
    isopentanol 161.76
    n-heptane 205.79
    ethyl formate 144.06
    1,2-dichloroethane 359.29
    n-hexanol 318.96
    2-methoxyethanol 232.68
    isobutyl acetate 152.99
    tetrachloromethane 193.75
    n-pentyl acetate 219.17
    transcutol 746.66
    n-heptanol 130.93
    ethylbenzene 79.22
    MIBK 169.38
    2-propoxyethanol 375.12
    tert-butanol 184.57
    MTBE 246.63
    2-butoxyethanol 195.83
    propionic acid 127.98
    o-xylene 105.21
    formic acid 24.86
    diethyl ether 482.29
    m-xylene 120.02
    p-xylene 100.61
    chlorobenzene 261.12
    dimethyl carbonate 49.87
    n-octane 49.23
    formamide 37.07
    cyclopentanone 558.31
    2-pentanone 308.04
    anisole 146.62
    cyclopentyl methyl ether 436.05
    gamma-butyrolactone 445.15
    1-methoxy-2-propanol 196.13
    pyridine 465.15
    3-pentanone 231.09
    furfural 353.45
    n-dodecane 24.74
    diethylene glycol 168.37
    diisopropyl ether 141.58
    tert-amyl alcohol 152.86
    acetylacetone 257.31
    n-hexadecane 28.37
    acetophenone 126.05
    methyl propionate 177.17
    isopentyl acetate 385.77
    trichloroethylene 624.81
    n-nonanol 108.9
    cyclohexanol 212.28
    benzyl alcohol 101.16
    2-ethylhexanol 225.8
    isooctanol 101.03
    dipropyl ether 529.05
    1,2-dichlorobenzene 202.11
    ethyl lactate 60.37
    propylene carbonate 260.5
    n-methylformamide 85.42
    2-pentanol 151.41
    n-pentane 126.18
    1-propoxy-2-propanol 363.77
    1-methoxy-2-propyl acetate 311.64
    2-(2-methoxypropoxy) propanol 156.81
    mesitylene 79.43
    ε-caprolactone 400.2
    p-cymene 104.51
    epichlorohydrin 467.61
    1,1,1-trichloroethane 426.25
    2-aminoethanol 54.48
    morpholine-4-carbaldehyde 275.98
    sulfolane 376.4
    2,2,4-trimethylpentane 35.87
    2-methyltetrahydrofuran 682.13
    n-hexyl acetate 228.9
    isooctane 32.75
    2-(2-butoxyethoxy)ethanol 242.45
    sec-butyl acetate 151.28
    tert-butyl acetate 213.71
    decalin 53.62
    glycerin 52.13
    diglyme 440.65
    acrylic acid 90.66
    isopropyl myristate 110.03
    n-butyric acid 265.27
    acetyl acetate 196.08
    di(2-ethylhexyl) phthalate 72.88
    ethyl propionate 161.48
    nitromethane 199.02
    1,2-diethoxyethane 525.22
    benzonitrile 190.79
    trioctyl phosphate 62.69
    1-bromopropane 398.69
    gamma-valerolactone 499.8
    n-decanol 82.72
    triethyl phosphate 101.89
    4-methyl-2-pentanol 87.1
    propionitrile 190.66
    vinylene carbonate 197.84
    1,1,2-trichlorotrifluoroethane 228.1
    DMS 119.32
    cumene 57.24
    2-octanol 83.8
    2-hexanone 253.12
    octyl acetate 124.56
    limonene 192.62
    1,2-dimethoxyethane 352.73
    ethyl orthosilicate 110.11
    tributyl phosphate 84.89
    diacetone alcohol 172.02
    N,N-dimethylaniline 84.09
    acrylonitrile 164.72
    aniline 182.5
    1,3-propanediol 104.8
    bromobenzene 308.44
    dibromomethane 501.05
    1,1,2,2-tetrachloroethane 488.17
    2-methyl-cyclohexyl acetate 180.91
    tetrabutyl urea 98.32
    diisobutyl methanol 138.66
    2-phenylethanol 170.44
    styrene 108.9
    dioctyl adipate 126.45
    dimethyl sulfate 65.86
    ethyl butyrate 340.56
    methyl lactate 57.15
    butyl lactate 120.96
    diethyl carbonate 164.66
    propanediol butyl ether 119.54
    triethyl orthoformate 220.86
    p-tert-butyltoluene 105.02
    methyl 4-tert-butylbenzoate 123.04
    morpholine 565.73
    tert-butylamine 148.41
    n-dodecanol 66.38
    dimethoxymethane 206.99
    ethylene carbonate 186.67
    cyrene 111.57
    2-ethoxyethyl acetate 258.49
    2-ethylhexyl acetate 336.45
    1,2,4-trichlorobenzene 218.55
    4-methylpyridine 353.96
    dibutyl ether 295.06
    2,6-dimethyl-4-heptanol 138.66
    DEF 235.92
    dimethyl isosorbide 295.11
    tetrachloroethylene 365.38
    eugenol 109.44
    triacetin 167.09
    span 80 164.16
    1,4-butanediol 35.42
    1,1-dichloroethane 399.73
    2-methyl-1-pentanol 116.18
    methyl formate 64.67
    2-methyl-1-butanol 147.9
    n-decane 48.95
    butyronitrile 268.48
    3,7-dimethyl-1-octanol 132.82
    1-chlorooctane 116.08
    1-chlorotetradecane 46.94
    n-nonane 54.21
    undecane 32.61
    tert-butylcyclohexane 46.72
    cyclooctane 75.86
    cyclopentanol 213.0
    tetrahydropyran 767.46
    tert-amyl methyl ether 179.53
    2,5,8-trioxanonane 285.33
    1-hexene 245.22
    2-isopropoxyethanol 126.79
    2,2,2-trifluoroethanol 41.76
    methyl butyrate 199.48

    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