1-Hexadecanethiol

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  • Identifiers

    CAS number
    2917-26-2

    Molecular formula
    C16H34S

    SMILES
    CCCCCCCCCCCCCCCCS

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 74.06%
    Fatty 71.64%
    Meaty 69.02%
    Waxy 52.77%
    Savory 46.81%
    Roasted 37.91%
    Burnt 32.84%
    Oily 32.27%
    Mushroom 30.88%
    Vegetable 30.48%

     

    Flavor
    Waxy 42.32%
    Alkane 39.12%
    Fatty 30.66%
    Mild 26.35%
    Bland 25.55%
    Slightly waxy 24.05%
    Fat 23.92%
    Delicate 23.1%
    Incense 22.97%
    Citrus peel 22.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    8.3

    pKa est.
    8.52 (weak base)

    Molecular weight
    258.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    341°C

    Melting point expt.

    • 64 to 68 °F (NIOSH, 2024)
    • 18 °C
    • 64-68 °F

    Flash point

    • 139.59 ˚C est.
    • 215 °F (NIOSH, 2024)
    • Flash point =102 °C
    • 135 °C o.c.
    • 215 °F

    Solubility expt.

    • Insoluble (NIOSH, 2024)
    • Solubility in water: none
    • Insoluble

  • Synonyms

    • 1-HEXADECANETHIOL
    • hexadecane-1-thiol
    • 2917-26-2
    • Hexadecanethiol
    • Cetyl mercaptan
    • n-Hexadecanethiol
    • n-Hexadecyl mercaptan
    • Hexadecyl mercaptan
    • 1-Cetanethiol
    • Cetylmercaptan
    • UNII-QR98QIO1QL
    • QR98QIO1QL
    • EINECS 220-846-6
    • NSC-57866
    • DTXSID6062709
    • NSC-229611
    • hexadecylthiol
    • n-hexadecylthiol
    • Hexadecanethiol-1
    • 22208-70-4
    • 1-Mercaptohexadecane
    • nHexadecanethiol
    • Hexadecanethiol1
    • MFCD00011677
    • NSC 57866
    • NSC 229611
    • 1-Hexadecanethiol, 99%
    • SCHEMBL51190
    • DTXCID0037946
    • NSC57866
    • NSC229568
    • AKOS015897657
    • 1-Hexadecanethiol, >=95.0% (GC)
    • FH36426
    • NSC-229568
    • BP-20993
    • LS-14547
    • DB-068078
    • H0068
    • NS00021994
    • G68010
    • Q424840

  • Applications

    1-Hexadecanethiol (CAS 2917-26-2) is used to form self-assembled monolayers on gold and other metal surfaces, enabling tailored surface properties for applications in electronics, sensors, and corrosion-protective coatings. It serves as a building block or intermediate in organic synthesis to introduce a long, hydrophobic thiol terminus, thereby enabling thioether linkages. It can function as a chain-transfer agent in radical polymerizations, assisting in controlling molecular weight and end-group functionality. It may act as a reactive diluent or curing modifier in epoxy and thiol-ene resin systems, influencing cure behavior and network properties. It is also employed as a surface-modifying additive in coatings and adhesives to adjust surface energy and adhesion properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 45.02
    methanol 19.5
    isopropanol 83.37
    water 0.0
    ethyl acetate 571.11
    n-propanol 87.93
    acetone 365.22
    n-butanol 152.18
    acetonitrile 64.84
    DMF 253.37
    toluene 447.51
    isobutanol 115.23
    1,4-dioxane 811.26
    methyl acetate 285.83
    THF 2166.4
    2-butanone 490.61
    n-pentanol 131.06
    sec-butanol 153.09
    n-hexane 443.54
    ethylene glycol 2.73
    NMP 674.34
    cyclohexane 1640.56
    DMSO 391.76
    n-butyl acetate 1302.59
    n-octanol 190.38
    chloroform 1212.7
    n-propyl acetate 672.74
    acetic acid 67.31
    dichloromethane 1054.85
    cyclohexanone 1544.55
    propylene glycol 10.68
    isopropyl acetate 613.89
    DMAc 410.57
    2-ethoxyethanol 145.61
    isopentanol 230.98
    n-heptane 1175.72
    ethyl formate 150.61
    1,2-dichloroethane 900.69
    n-hexanol 277.76
    2-methoxyethanol 145.69
    isobutyl acetate 555.7
    tetrachloromethane 424.78
    n-pentyl acetate 829.66
    transcutol 1033.07
    n-heptanol 195.06
    ethylbenzene 316.75
    MIBK 596.67
    2-propoxyethanol 302.98
    tert-butanol 277.06
    MTBE 738.35
    2-butoxyethanol 281.06
    propionic acid 95.63
    o-xylene 370.66
    formic acid 4.24
    diethyl ether 771.81
    m-xylene 327.88
    p-xylene 447.56
    chlorobenzene 472.09
    dimethyl carbonate 94.69
    n-octane 252.12
    formamide 10.34
    cyclopentanone 1329.2
    2-pentanone 674.01
    anisole 437.93
    cyclopentyl methyl ether 1543.99
    gamma-butyrolactone 906.29
    1-methoxy-2-propanol 202.31
    pyridine 639.45
    3-pentanone 607.21
    furfural 506.6
    n-dodecane 80.77
    diethylene glycol 74.08
    diisopropyl ether 535.25
    tert-amyl alcohol 296.97
    acetylacetone 608.55
    n-hexadecane 103.36
    acetophenone 469.12
    methyl propionate 321.3
    isopentyl acetate 1101.35
    trichloroethylene 1315.92
    n-nonanol 211.88
    cyclohexanol 483.25
    benzyl alcohol 165.39
    2-ethylhexanol 484.09
    isooctanol 234.37
    dipropyl ether 2084.62
    1,2-dichlorobenzene 514.71
    ethyl lactate 146.52
    propylene carbonate 536.73
    n-methylformamide 50.03
    2-pentanol 214.15
    n-pentane 293.05
    1-propoxy-2-propanol 540.36
    1-methoxy-2-propyl acetate 719.7
    2-(2-methoxypropoxy) propanol 281.96
    mesitylene 299.58
    ε-caprolactone 1072.48
    p-cymene 423.47
    epichlorohydrin 1015.15
    1,1,1-trichloroethane 1312.06
    2-aminoethanol 13.74
    morpholine-4-carbaldehyde 525.9
    sulfolane 1304.95
    2,2,4-trimethylpentane 152.63
    2-methyltetrahydrofuran 1716.05
    n-hexyl acetate 753.64
    isooctane 128.88
    2-(2-butoxyethoxy)ethanol 381.33
    sec-butyl acetate 627.17
    tert-butyl acetate 901.0
    decalin 372.23
    glycerin 18.22
    diglyme 996.68
    acrylic acid 54.24
    isopropyl myristate 398.79
    n-butyric acid 294.2
    acetyl acetate 352.18
    di(2-ethylhexyl) phthalate 176.41
    ethyl propionate 584.07
    nitromethane 151.54
    1,2-diethoxyethane 1209.28
    benzonitrile 262.45
    trioctyl phosphate 166.76
    1-bromopropane 965.88
    gamma-valerolactone 989.97
    n-decanol 155.04
    triethyl phosphate 459.6
    4-methyl-2-pentanol 182.55
    propionitrile 140.76
    vinylene carbonate 318.42
    1,1,2-trichlorotrifluoroethane 433.22
    DMS 325.31
    cumene 249.62
    2-octanol 191.7
    2-hexanone 675.06
    octyl acetate 382.89
    limonene 901.59
    1,2-dimethoxyethane 732.99
    ethyl orthosilicate 504.2
    tributyl phosphate 239.0
    diacetone alcohol 483.72
    N,N-dimethylaniline 355.68
    acrylonitrile 101.31
    aniline 236.54
    1,3-propanediol 42.6
    bromobenzene 679.56
    dibromomethane 899.8
    1,1,2,2-tetrachloroethane 1445.05
    2-methyl-cyclohexyl acetate 818.73
    tetrabutyl urea 351.4
    diisobutyl methanol 471.97
    2-phenylethanol 224.69
    styrene 365.29
    dioctyl adipate 469.22
    dimethyl sulfate 196.29
    ethyl butyrate 1228.43
    methyl lactate 82.35
    butyl lactate 331.53
    diethyl carbonate 580.45
    propanediol butyl ether 150.59
    triethyl orthoformate 981.35
    p-tert-butyltoluene 418.85
    methyl 4-tert-butylbenzoate 440.74
    morpholine 865.15
    tert-butylamine 279.21
    n-dodecanol 129.11
    dimethoxymethane 307.5
    ethylene carbonate 367.05
    cyrene 275.52
    2-ethoxyethyl acetate 651.78
    2-ethylhexyl acetate 1069.84
    1,2,4-trichlorobenzene 576.58
    4-methylpyridine 621.23
    dibutyl ether 1207.54
    2,6-dimethyl-4-heptanol 471.97
    DEF 661.27
    dimethyl isosorbide 785.52
    tetrachloroethylene 825.95
    eugenol 260.27
    triacetin 553.72
    span 80 308.48
    1,4-butanediol 18.04
    1,1-dichloroethane 863.41
    2-methyl-1-pentanol 198.71
    methyl formate 49.74
    2-methyl-1-butanol 192.26
    n-decane 211.51
    butyronitrile 261.47
    3,7-dimethyl-1-octanol 310.94
    1-chlorooctane 492.11
    1-chlorotetradecane 169.55
    n-nonane 245.31
    undecane 120.3
    tert-butylcyclohexane 276.1
    cyclooctane 538.97
    cyclopentanol 377.44
    tetrahydropyran 1893.04
    tert-amyl methyl ether 678.2
    2,5,8-trioxanonane 593.74
    1-hexene 584.3
    2-isopropoxyethanol 186.47
    2,2,2-trifluoroethanol 27.76
    methyl butyrate 737.09

    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