1-Octadecanethiol

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  • Identifiers

    CAS number
    2885-00-9

    Molecular formula
    C18H38S

    SMILES
    CCCCCCCCCCCCCCCCCCS

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 70.03%
    Sulfurous 68.39%
    Meaty 64.69%
    Waxy 57.71%
    Savory 43.53%
    Oily 33.12%
    Roasted 32.89%
    Burnt 30.98%
    Beefy 28.62%
    Mushroom 28.29%

     

    Flavor
    Waxy 43.43%
    Alkane 41.09%
    Fatty 27.84%
    Bland 26.78%
    Mild 26.55%
    Slightly waxy 23.79%
    Delicate 22.78%
    Incense 22.41%
    Fat 22.3%
    Citrus peel 22.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.4

    pKa est.
    8.37 (weak base)

    Molecular weight
    286.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    374°C

    Melting point expt.

    • 77 °F (NIOSH, 2024)
    • 24-31 °C
    • 77 °F

    Flash point

    • 155.14 ˚C est.
    • 185 °C
    • 185 °C c.c.

    Solubility expt.

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

  • Synonyms

    • 1-OCTADECANETHIOL
    • octadecane-1-thiol
    • 2885-00-9
    • Octadecanethiol
    • Stearyl mercaptan
    • n-Octadecyl mercaptan
    • Octadecyl mercaptan
    • 1-Mercaptooctadecane
    • n-octadecanethiol
    • OCTADECANTHIOL
    • EINECS 220-744-1
    • MFCD00004886
    • DTXSID0062686
    • 17322-94-0
    • 1-Octadecyl mercaptan
    • C18H38S
    • stearylmercaptan
    • octadecane thiol
    • 1-octadecanthiol
    • mercaptooctadecane
    • Octadecylmercaptan
    • Mercaptan C18
    • 1-Octadecane thiol
    • nOctadecyl mercaptan
    • NSC 5545
    • 1-octadecylmercaptan
    • 1-Octadecanethiol, 98%
    • SCHEMBL25850
    • DTXCID8037887
    • NSC5545
    • NSC-5545
    • NSC11886
    • NSC-11886
    • AKOS015843216
    • DB-047474
    • 1-Octadecanethiol, purum, >=95.0% (GC)
    • NS00019803
    • O0005
    • D70540

  • Applications

    1-Octadecanethiol (CAS 2885-00-9) is a long-chain alkyl thiol used primarily as a surface modifier and chemical intermediate. In electronics and sensing, it forms self-assembled monolayers on gold and other metal surfaces to tailor interfacial properties and wettability. It serves as a building block in organosulfur chemistry for thioether linkages and related sulfur compounds. In coatings and adhesives, it can impart hydrophobic character and improve compatibility at organic–inorganic interfaces. It can act as a boundary-film lubricant/anti-wear additive on metal surfaces, and is used as a processing aid or stabilizer in polymer coatings and composites. In research, it supports surface chemistry and interfacial engineering studies.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.15
    methanol 8.79
    isopropanol 37.14
    water 0.0
    ethyl acetate 350.37
    n-propanol 41.5
    acetone 191.28
    n-butanol 72.27
    acetonitrile 33.85
    DMF 167.3
    toluene 257.9
    isobutanol 58.86
    1,4-dioxane 473.79
    methyl acetate 173.85
    THF 1413.78
    2-butanone 282.49
    n-pentanol 66.19
    sec-butanol 75.92
    n-hexane 211.86
    ethylene glycol 1.32
    NMP 548.75
    cyclohexane 976.39
    DMSO 250.19
    n-butyl acetate 806.81
    n-octanol 118.17
    chloroform 810.81
    n-propyl acetate 448.85
    acetic acid 41.19
    dichloromethane 698.93
    cyclohexanone 1015.68
    propylene glycol 5.28
    isopropyl acetate 417.59
    DMAc 315.95
    2-ethoxyethanol 86.19
    isopentanol 119.48
    n-heptane 631.97
    ethyl formate 96.61
    1,2-dichloroethane 593.14
    n-hexanol 132.54
    2-methoxyethanol 81.1
    isobutyl acetate 388.66
    tetrachloromethane 295.82
    n-pentyl acetate 618.69
    transcutol 672.63
    n-heptanol 116.37
    ethylbenzene 201.55
    MIBK 394.27
    2-propoxyethanol 170.27
    tert-butanol 136.41
    MTBE 413.79
    2-butoxyethanol 180.15
    propionic acid 58.2
    o-xylene 244.46
    formic acid 2.85
    diethyl ether 390.37
    m-xylene 202.83
    p-xylene 291.78
    chlorobenzene 316.22
    dimethyl carbonate 66.02
    n-octane 146.16
    formamide 6.95
    cyclopentanone 945.04
    2-pentanone 393.78
    anisole 304.04
    cyclopentyl methyl ether 1016.72
    gamma-butyrolactone 659.43
    1-methoxy-2-propanol 115.54
    pyridine 391.15
    3-pentanone 381.58
    furfural 359.63
    n-dodecane 48.63
    diethylene glycol 41.36
    diisopropyl ether 314.61
    tert-amyl alcohol 163.31
    acetylacetone 419.5
    n-hexadecane 62.81
    acetophenone 344.37
    methyl propionate 213.27
    isopentyl acetate 737.13
    trichloroethylene 897.01
    n-nonanol 135.51
    cyclohexanol 273.95
    benzyl alcohol 103.77
    2-ethylhexanol 272.49
    isooctanol 147.92
    dipropyl ether 1256.87
    1,2-dichlorobenzene 375.57
    ethyl lactate 104.77
    propylene carbonate 400.64
    n-methylformamide 30.6
    2-pentanol 107.62
    n-pentane 135.97
    1-propoxy-2-propanol 326.07
    1-methoxy-2-propyl acetate 503.02
    2-(2-methoxypropoxy) propanol 203.42
    mesitylene 199.5
    ε-caprolactone 768.35
    p-cymene 288.89
    epichlorohydrin 696.41
    1,1,1-trichloroethane 914.27
    2-aminoethanol 6.89
    morpholine-4-carbaldehyde 393.69
    sulfolane 1040.42
    2,2,4-trimethylpentane 93.66
    2-methyltetrahydrofuran 1077.52
    n-hexyl acetate 532.22
    isooctane 72.86
    2-(2-butoxyethoxy)ethanol 259.31
    sec-butyl acetate 435.81
    tert-butyl acetate 652.17
    decalin 236.8
    glycerin 10.4
    diglyme 730.22
    acrylic acid 33.35
    isopropyl myristate 288.21
    n-butyric acid 178.16
    acetyl acetate 241.71
    di(2-ethylhexyl) phthalate 131.77
    ethyl propionate 412.1
    nitromethane 98.09
    1,2-diethoxyethane 779.68
    benzonitrile 161.95
    trioctyl phosphate 120.03
    1-bromopropane 563.8
    gamma-valerolactone 738.43
    n-decanol 98.65
    triethyl phosphate 363.75
    4-methyl-2-pentanol 101.64
    propionitrile 73.55
    vinylene carbonate 236.91
    1,1,2-trichlorotrifluoroethane 321.17
    DMS 246.23
    cumene 164.8
    2-octanol 119.0
    2-hexanone 431.08
    octyl acetate 276.04
    limonene 613.68
    1,2-dimethoxyethane 457.69
    ethyl orthosilicate 389.19
    tributyl phosphate 173.7
    diacetone alcohol 340.52
    N,N-dimethylaniline 256.63
    acrylonitrile 56.29
    aniline 143.22
    1,3-propanediol 22.0
    bromobenzene 470.59
    dibromomethane 583.69
    1,1,2,2-tetrachloroethane 1014.75
    2-methyl-cyclohexyl acetate 612.92
    tetrabutyl urea 259.83
    diisobutyl methanol 292.18
    2-phenylethanol 141.17
    styrene 227.09
    dioctyl adipate 349.08
    dimethyl sulfate 154.93
    ethyl butyrate 855.53
    methyl lactate 57.99
    butyl lactate 246.39
    diethyl carbonate 421.04
    propanediol butyl ether 95.81
    triethyl orthoformate 728.69
    p-tert-butyltoluene 282.22
    methyl 4-tert-butylbenzoate 346.69
    morpholine 492.77
    tert-butylamine 137.61
    n-dodecanol 79.77
    dimethoxymethane 193.65
    ethylene carbonate 268.18
    cyrene 214.21
    2-ethoxyethyl acetate 490.26
    2-ethylhexyl acetate 722.17
    1,2,4-trichlorobenzene 429.38
    4-methylpyridine 390.76
    dibutyl ether 769.56
    2,6-dimethyl-4-heptanol 292.18
    DEF 441.41
    dimethyl isosorbide 629.56
    tetrachloroethylene 584.72
    eugenol 195.2
    triacetin 439.24
    span 80 216.79
    1,4-butanediol 9.55
    1,1-dichloroethane 544.01
    2-methyl-1-pentanol 106.62
    methyl formate 31.85
    2-methyl-1-butanol 101.35
    n-decane 130.37
    butyronitrile 133.1
    3,7-dimethyl-1-octanol 197.15
    1-chlorooctane 326.23
    1-chlorotetradecane 110.35
    n-nonane 144.75
    undecane 72.43
    tert-butylcyclohexane 172.04
    cyclooctane 322.38
    cyclopentanol 229.73
    tetrahydropyran 1099.13
    tert-amyl methyl ether 416.41
    2,5,8-trioxanonane 444.59
    1-hexene 281.01
    2-isopropoxyethanol 113.78
    2,2,2-trifluoroethanol 20.23
    methyl butyrate 507.09

    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