Cyclohexyl mercaptoacetate

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  • Identifiers

    CAS number
    16849-98-2

    Molecular formula
    C8H14O2S

    SMILES
    C1CCC(CC1)OC(=O)CS

  • Odor profile

    Fragrance
    Fruity 71.63%
    Tropical 55.98%
    Sulfurous 53.19%
    Green 44.85%
    Meaty 33.74%
    Roasted 31.86%
    Black currant 30.74%
    Onion 28.74%
    Savory 27.77%
    Pineapple 27.68%

     

    Flavor
    Fruity 42.25%
    Fatty 25.13%
    Odorless 24.42%
    Sweet 22.09%
    Animal 20.65%
    Fruit 20.59%
    Cauliflower 20.46%
    Berry 20.31%
    Cheese 20.26%
    Oily 20.19%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.21 (neutral)

    Molecular weight
    174.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    250°C

    Flash point

    • 104.43 ˚C est.

  • Synonyms

    • cyclohexyl 2-sulfanylacetate
    • 16849-98-2
    • Cyclohexyl mercaptoacetate
    • Acetic acid, 2-mercapto-, cyclohexyl ester
    • Cyclohexyl thioglycolate
    • Cyclohexyl 2-mercaptoacetate
    • Acetic acid, mercapto-, cyclohexyl ester
    • EINECS 240-874-2
    • DTXSID00168573
    • cyclohexyl2-sulfanylacetate
    • Cyclohexyl sulfanylacetate #
    • V2Y33HW2FV
    • SCHEMBL1405464
    • DTXCID5091064
    • RAA84998
    • AKOS006271792
    • CS-0237760
    • NS00025531
    • EN300-186774
    • G22818
    • 240-874-2

  • Applications

    Cyclohexyl mercaptoacetate (CAS 16849-98-2) is commonly used as an odorant/fragrance ingredient in perfumery and cosmetic formulations, and may also serve as an odor-active additive in household products. It can function as an intermediate in organic synthesis, enabling introduction of the thiol-ester functionality in specialty chemicals. In polymer and plastics applications, it may act as a reactive building block or crosslinking/functional comonomer for niche formulations. In coatings and inks, it can be employed as a scent contributor or reactive thiol-ester component to modify adhesion or curing behavior. Its use is governed by formulation requirements and local regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 393.18
    methanol 545.49
    isopropanol 349.95
    water 1.19
    ethyl acetate 170.04
    n-propanol 288.0
    acetone 513.33
    n-butanol 240.77
    acetonitrile 282.74
    DMF 690.74
    toluene 103.39
    isobutanol 212.33
    1,4-dioxane 417.0
    methyl acetate 226.96
    THF 601.9
    2-butanone 300.33
    n-pentanol 191.63
    sec-butanol 239.13
    n-hexane 21.36
    ethylene glycol 109.1
    NMP 483.8
    cyclohexane 43.19
    DMSO 827.43
    n-butyl acetate 167.88
    n-octanol 110.16
    chloroform 1082.82
    n-propyl acetate 158.21
    acetic acid 543.12
    dichloromethane 767.48
    cyclohexanone 456.17
    propylene glycol 147.47
    isopropyl acetate 119.4
    DMAc 425.8
    2-ethoxyethanol 228.35
    isopentanol 195.94
    n-heptane 14.19
    ethyl formate 190.28
    1,2-dichloroethane 406.6
    n-hexanol 159.69
    2-methoxyethanol 387.4
    isobutyl acetate 110.88
    tetrachloromethane 93.1
    n-pentyl acetate 143.69
    transcutol 687.69
    n-heptanol 89.84
    ethylbenzene 70.57
    MIBK 131.46
    2-propoxyethanol 233.98
    tert-butanol 318.01
    MTBE 159.36
    2-butoxyethanol 167.94
    propionic acid 291.43
    o-xylene 76.12
    formic acid 156.74
    diethyl ether 140.08
    m-xylene 75.82
    p-xylene 108.67
    chlorobenzene 244.76
    dimethyl carbonate 73.31
    n-octane 9.45
    formamide 201.98
    cyclopentanone 562.01
    2-pentanone 206.48
    anisole 151.02
    cyclopentyl methyl ether 189.05
    gamma-butyrolactone 572.99
    1-methoxy-2-propanol 284.28
    pyridine 452.44
    3-pentanone 145.07
    furfural 516.01
    n-dodecane 10.58
    diethylene glycol 227.93
    diisopropyl ether 42.71
    tert-amyl alcohol 202.59
    acetylacetone 255.08
    n-hexadecane 11.83
    acetophenone 174.12
    methyl propionate 137.25
    isopentyl acetate 148.82
    trichloroethylene 855.49
    n-nonanol 91.95
    cyclohexanol 237.61
    benzyl alcohol 174.04
    2-ethylhexanol 88.53
    isooctanol 75.19
    dipropyl ether 85.32
    1,2-dichlorobenzene 210.71
    ethyl lactate 91.94
    propylene carbonate 297.58
    n-methylformamide 299.29
    2-pentanol 149.03
    n-pentane 18.63
    1-propoxy-2-propanol 175.59
    1-methoxy-2-propyl acetate 143.01
    2-(2-methoxypropoxy) propanol 160.62
    mesitylene 51.81
    ε-caprolactone 337.97
    p-cymene 50.57
    epichlorohydrin 477.87
    1,1,1-trichloroethane 332.48
    2-aminoethanol 198.91
    morpholine-4-carbaldehyde 433.99
    sulfolane 642.4
    2,2,4-trimethylpentane 12.54
    2-methyltetrahydrofuran 343.62
    n-hexyl acetate 195.2
    isooctane 9.4
    2-(2-butoxyethoxy)ethanol 230.02
    sec-butyl acetate 98.94
    tert-butyl acetate 133.3
    decalin 22.0
    glycerin 191.36
    diglyme 403.31
    acrylic acid 307.74
    isopropyl myristate 74.25
    n-butyric acid 325.94
    acetyl acetate 142.69
    di(2-ethylhexyl) phthalate 82.14
    ethyl propionate 114.33
    nitromethane 580.41
    1,2-diethoxyethane 179.32
    benzonitrile 253.93
    trioctyl phosphate 63.21
    1-bromopropane 222.38
    gamma-valerolactone 548.54
    n-decanol 66.81
    triethyl phosphate 69.33
    4-methyl-2-pentanol 85.32
    propionitrile 214.1
    vinylene carbonate 296.9
    1,1,2-trichlorotrifluoroethane 392.24
    DMS 136.23
    cumene 53.74
    2-octanol 73.91
    2-hexanone 182.01
    octyl acetate 95.5
    limonene 69.63
    1,2-dimethoxyethane 358.44
    ethyl orthosilicate 64.75
    tributyl phosphate 74.66
    diacetone alcohol 179.89
    N,N-dimethylaniline 115.09
    acrylonitrile 305.19
    aniline 177.07
    1,3-propanediol 248.69
    bromobenzene 242.36
    dibromomethane 531.5
    1,1,2,2-tetrachloroethane 658.51
    2-methyl-cyclohexyl acetate 111.84
    tetrabutyl urea 98.81
    diisobutyl methanol 58.69
    2-phenylethanol 139.89
    styrene 106.17
    dioctyl adipate 114.0
    dimethyl sulfate 144.71
    ethyl butyrate 117.5
    methyl lactate 108.1
    butyl lactate 125.97
    diethyl carbonate 87.86
    propanediol butyl ether 209.07
    triethyl orthoformate 89.03
    p-tert-butyltoluene 47.2
    methyl 4-tert-butylbenzoate 146.87
    morpholine 456.32
    tert-butylamine 177.39
    n-dodecanol 52.5
    dimethoxymethane 216.46
    ethylene carbonate 227.34
    cyrene 170.37
    2-ethoxyethyl acetate 167.42
    2-ethylhexyl acetate 115.84
    1,2,4-trichlorobenzene 260.67
    4-methylpyridine 356.1
    dibutyl ether 109.61
    2,6-dimethyl-4-heptanol 58.69
    DEF 218.95
    dimethyl isosorbide 224.17
    tetrachloroethylene 442.92
    eugenol 157.81
    triacetin 187.99
    span 80 161.7
    1,4-butanediol 117.37
    1,1-dichloroethane 437.66
    2-methyl-1-pentanol 149.98
    methyl formate 222.22
    2-methyl-1-butanol 171.71
    n-decane 16.43
    butyronitrile 227.77
    3,7-dimethyl-1-octanol 95.12
    1-chlorooctane 70.0
    1-chlorotetradecane 29.26
    n-nonane 14.99
    undecane 12.71
    tert-butylcyclohexane 18.86
    cyclooctane 11.59
    cyclopentanol 298.41
    tetrahydropyran 383.84
    tert-amyl methyl ether 107.07
    2,5,8-trioxanonane 281.48
    1-hexene 93.07
    2-isopropoxyethanol 162.46
    2,2,2-trifluoroethanol 158.48
    methyl butyrate 183.05

    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