Cyclopentanethiol

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  • Identifiers

    CAS number
    1679-07-8

    Molecular formula
    C5H10S

    SMILES
    C1CCC(C1)S

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sulfurous 85.06%
    Meaty 79.11%
    Onion 66.69%
    Garlic 65.06%
    Alliaceous 62.83%
    Vegetable 53.01%
    Roasted 52.61%
    Savory 50.76%
    Burnt 46.49%
    Cooked 41.94%

     

    Flavor
    Sulfurous 45.0%
    Ammoniacal 38.24%
    Animal 33.36%
    Egg 33.29%
    Roasted 30.76%
    Fishy 30.2%
    Amine 28.96%
    Onion 28.75%
    Garlic 26.89%
    Alkaline 26.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    9.1 (weak base)

    Molecular weight
    102.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 41.00 to 42.00 °C. @ 16.00 mm Hg

    Flash point

    • 20.17 ˚C est.

    Solubility expt.

    • 758 mg/L @ 25 °C (calc.)
    • slightly soluble in water; soluble in alcohol and oils

  • Synonyms

    • CYCLOPENTANETHIOL
    • 1679-07-8
    • Cyclopentyl mercaptan
    • Mercaptocyclopentane
    • Cyclopentylthiol
    • FEMA No. 3262
    • BRN 2343861
    • EINECS 216-841-3
    • DTXSID1047108
    • H279996YO9
    • CYCLOPENTANETHIOL [FHFI]
    • DTXCID9027108
    • 4-06-00-00015 (Beilstein Handbook Reference)
    • cyclopentyl thiol
    • UNII-H279996YO9
    • cyclopen-tanethiol
    • cyclopentane thiol
    • cyclopentylmercaptan
    • MFCD00001369
    • starbld0016574
    • Cyclopentanethiol, 97%
    • SCHEMBL79581
    • CHEMBL3186752
    • Cyclopentanethiol, >=97%, FG
    • FEMA 3262
    • CHEBI:173317
    • Tox21_302675
    • STK503767
    • AKOS000120344
    • FS-4194
    • NCGC00256904-01
    • CAS-1679-07-8
    • DB-003620
    • CS-0132250
    • NS00045416
    • EN300-20663
    • D89300
    • A810920
    • Q27279546
    • InChI=1/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H
    • 216-841-3

  • Applications

    Cyclopentanethiol (CAS 1679-07-8) is primarily used as an odorant in fragrance formulations for perfumery and personal care products, where the cyclopentylthio moiety contributes sulfur-note characteristics. It is also employed as a reactive intermediate in organic synthesis to introduce cyclopentylthio groups and to prepare sulfur-containing compounds. In polymer chemistry, it can serve as a sulfur-containing reagent or chain-transfer agent in radical polymerizations, helping to control molecular weight and polymer architecture. It may act as a building block for specialty chemicals in industrial manufacturing, including coatings and inks, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 185.03
    methanol 154.16
    isopropanol 166.56
    water 0.45
    ethyl acetate 251.94
    n-propanol 183.59
    acetone 254.73
    n-butanol 196.22
    acetonitrile 168.98
    DMF 169.93
    toluene 152.29
    isobutanol 132.34
    1,4-dioxane 412.06
    methyl acetate 206.22
    THF 614.85
    2-butanone 256.81
    n-pentanol 127.63
    sec-butanol 178.84
    n-hexane 61.11
    ethylene glycol 43.71
    NMP 229.76
    cyclohexane 96.92
    DMSO 216.59
    n-butyl acetate 271.88
    n-octanol 122.5
    chloroform 696.39
    n-propyl acetate 142.23
    acetic acid 180.12
    dichloromethane 440.42
    cyclohexanone 326.79
    propylene glycol 86.5
    isopropyl acetate 170.38
    DMAc 195.37
    2-ethoxyethanol 162.06
    isopentanol 157.17
    n-heptane 103.45
    ethyl formate 109.82
    1,2-dichloroethane 250.82
    n-hexanol 241.12
    2-methoxyethanol 236.3
    isobutyl acetate 104.62
    tetrachloromethane 169.94
    n-pentyl acetate 145.19
    transcutol 640.42
    n-heptanol 136.3
    ethylbenzene 70.01
    MIBK 139.52
    2-propoxyethanol 318.58
    tert-butanol 207.95
    MTBE 213.34
    2-butoxyethanol 206.93
    propionic acid 159.16
    o-xylene 89.29
    formic acid 37.63
    diethyl ether 276.4
    m-xylene 96.25
    p-xylene 91.68
    chlorobenzene 194.58
    dimethyl carbonate 68.34
    n-octane 32.65
    formamide 54.79
    cyclopentanone 388.17
    2-pentanone 220.08
    anisole 143.94
    cyclopentyl methyl ether 268.08
    gamma-butyrolactone 328.04
    1-methoxy-2-propanol 221.96
    pyridine 326.99
    3-pentanone 180.89
    furfural 282.48
    n-dodecane 22.7
    diethylene glycol 190.92
    diisopropyl ether 99.15
    tert-amyl alcohol 183.81
    acetylacetone 239.09
    n-hexadecane 25.24
    acetophenone 127.26
    methyl propionate 161.01
    isopentyl acetate 201.82
    trichloroethylene 488.6
    n-nonanol 113.43
    cyclohexanol 173.05
    benzyl alcohol 115.22
    2-ethylhexanol 168.05
    isooctanol 109.94
    dipropyl ether 259.27
    1,2-dichlorobenzene 162.38
    ethyl lactate 76.0
    propylene carbonate 211.33
    n-methylformamide 88.68
    2-pentanol 155.71
    n-pentane 71.14
    1-propoxy-2-propanol 290.42
    1-methoxy-2-propyl acetate 231.7
    2-(2-methoxypropoxy) propanol 178.16
    mesitylene 65.61
    ε-caprolactone 260.79
    p-cymene 81.66
    epichlorohydrin 330.25
    1,1,1-trichloroethane 351.55
    2-aminoethanol 89.89
    morpholine-4-carbaldehyde 257.39
    sulfolane 320.86
    2,2,4-trimethylpentane 33.19
    2-methyltetrahydrofuran 404.55
    n-hexyl acetate 181.41
    isooctane 25.77
    2-(2-butoxyethoxy)ethanol 254.98
    sec-butyl acetate 111.79
    tert-butyl acetate 183.15
    decalin 37.55
    glycerin 107.32
    diglyme 408.17
    acrylic acid 130.12
    isopropyl myristate 93.48
    n-butyric acid 227.85
    acetyl acetate 188.17
    di(2-ethylhexyl) phthalate 74.77
    ethyl propionate 130.47
    nitromethane 212.36
    1,2-diethoxyethane 280.53
    benzonitrile 151.58
    trioctyl phosphate 60.24
    1-bromopropane 238.33
    gamma-valerolactone 353.83
    n-decanol 85.88
    triethyl phosphate 83.0
    4-methyl-2-pentanol 99.11
    propionitrile 164.95
    vinylene carbonate 172.03
    1,1,2-trichlorotrifluoroethane 261.13
    DMS 117.87
    cumene 54.57
    2-octanol 88.6
    2-hexanone 164.72
    octyl acetate 110.59
    limonene 130.06
    1,2-dimethoxyethane 261.04
    ethyl orthosilicate 87.97
    tributyl phosphate 71.62
    diacetone alcohol 193.45
    N,N-dimethylaniline 95.26
    acrylonitrile 160.17
    aniline 176.07
    1,3-propanediol 130.65
    bromobenzene 201.08
    dibromomethane 354.5
    1,1,2,2-tetrachloroethane 414.76
    2-methyl-cyclohexyl acetate 132.51
    tetrabutyl urea 86.29
    diisobutyl methanol 102.13
    2-phenylethanol 152.91
    styrene 95.0
    dioctyl adipate 110.54
    dimethyl sulfate 88.83
    ethyl butyrate 196.74
    methyl lactate 90.6
    butyl lactate 121.22
    diethyl carbonate 121.47
    propanediol butyl ether 161.52
    triethyl orthoformate 148.06
    p-tert-butyltoluene 85.68
    methyl 4-tert-butylbenzoate 140.16
    morpholine 410.91
    tert-butylamine 159.21
    n-dodecanol 68.88
    dimethoxymethane 170.91
    ethylene carbonate 150.57
    cyrene 123.47
    2-ethoxyethyl acetate 185.19
    2-ethylhexyl acetate 169.73
    1,2,4-trichlorobenzene 199.35
    4-methylpyridine 251.83
    dibutyl ether 185.75
    2,6-dimethyl-4-heptanol 102.13
    DEF 184.37
    dimethyl isosorbide 251.51
    tetrachloroethylene 298.49
    eugenol 131.32
    triacetin 181.98
    span 80 182.21
    1,4-butanediol 57.19
    1,1-dichloroethane 309.35
    2-methyl-1-pentanol 115.36
    methyl formate 66.91
    2-methyl-1-butanol 148.31
    n-decane 39.41
    butyronitrile 184.13
    3,7-dimethyl-1-octanol 126.26
    1-chlorooctane 96.53
    1-chlorotetradecane 44.42
    n-nonane 40.86
    undecane 28.42
    tert-butylcyclohexane 35.08
    cyclooctane 41.49
    cyclopentanol 192.54
    tetrahydropyran 414.44
    tert-amyl methyl ether 159.68
    2,5,8-trioxanonane 282.5
    1-hexene 138.33
    2-isopropoxyethanol 141.2
    2,2,2-trifluoroethanol 71.09
    methyl butyrate 143.24

    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