1-Tetradecanethiol

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  • Identifiers

    CAS number
    2079-95-0

    Molecular formula
    C14H30S

    SMILES
    CCCCCCCCCCCCCCS

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 79.34%
    Meaty 73.1%
    Fatty 73.02%
    Savory 50.47%
    Waxy 46.96%
    Roasted 43.93%
    Vegetable 36.98%
    Burnt 34.93%
    Mushroom 33.45%
    Cooked 32.63%

     

    Flavor
    Waxy 40.77%
    Alkane 36.38%
    Fatty 34.44%
    Fat 26.06%
    Mild 25.8%
    Slightly waxy 24.24%
    Bland 23.72%
    Incense 23.6%
    Citrus peel 23.46%
    Delicate 23.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    8.75 (weak base)

    Molecular weight
    230.46 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    309°C

    Flash point

    • 124.24 ˚C est.

  • Synonyms

    • 1-Tetradecanethiol
    • 2079-95-0
    • Myristyl mercaptan
    • Tetradecyl mercaptan
    • Tetradecanethiol
    • n-tetradecylmercaptan
    • APY3P7S1XM
    • Tetradecanethiol-(1)
    • EINECS 218-209-2
    • UNII-APY3P7S1XM
    • NSC 57865
    • NSC-57865
    • AI3-15913
    • DTXSID7062166
    • 1Mercaptotetradecane
    • nTetradecyl mercaptan
    • RefChem:77255
    • DTXCID1036381
    • 218-209-2
    • GEKDEMKPCKTKEC-UHFFFAOYSA-N
    • tetradecane-1-thiol
    • n-Tetradecyl mercaptan
    • 1-Mercaptotetradecane
    • MFCD00022099
    • SCHEMBL51303
    • SCHEMBL77259
    • SCHEMBL2791726
    • SCHEMBL9683537
    • SCHEMBL20473144
    • SCHEMBL28985723
    • NSC57865
    • SBB060133
    • AKOS015897645
    • FT62977
    • 1-Tetradecanethiol, >=98.0% (GC)
    • AS-76487
    • DB-021323
    • NS00026739
    • ST51046368
    • T0082
    • D92299
    • A814925
    • 2079-95-0

  • Applications

    1-Tetradecanethiol (CAS 2079-95-0) is a long-chain alkanethiol primarily used for surface functionalization and as a starting material in synthesis. In electronics and sensing, the thiol forms self-assembled monolayers on gold (SAMs) to define electrode interfaces and improve compatibility with sensing layers. In polymer science, it often serves as a chain-transfer agent in free-radical polymerization to control molecular weight and end-group functionality of polymers. As a thiol-containing building block, it is used to form thioether and thioester linkages in organic synthesis for functional coatings, adhesives, and surface-modified materials. Additionally, its surface-attachment capability supports protective metal-surface treatments and corrosion resistance in coating and metal-processing formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 115.71
    methanol 47.28
    isopropanol 193.79
    water 0.0
    ethyl acetate 911.21
    n-propanol 199.98
    acetone 687.52
    n-butanol 319.29
    acetonitrile 134.03
    DMF 386.25
    toluene 718.54
    isobutanol 231.84
    1,4-dioxane 1354.62
    methyl acetate 453.81
    THF 3296.98
    2-butanone 839.75
    n-pentanol 263.76
    sec-butanol 312.9
    n-hexane 895.77
    ethylene glycol 6.02
    NMP 792.04
    cyclohexane 2552.96
    DMSO 632.8
    n-butyl acetate 2084.17
    n-octanol 310.6
    chloroform 1755.35
    n-propyl acetate 988.82
    acetic acid 115.13
    dichloromethane 1548.77
    cyclohexanone 2279.96
    propylene glycol 22.3
    isopropyl acetate 872.69
    DMAc 518.71
    2-ethoxyethanol 253.88
    isopentanol 439.76
    n-heptane 1996.29
    ethyl formate 229.7
    1,2-dichloroethane 1333.66
    n-hexanol 585.08
    2-methoxyethanol 265.39
    isobutyl acetate 775.99
    tetrachloromethane 580.91
    n-pentyl acetate 1104.47
    transcutol 1613.2
    n-heptanol 324.63
    ethylbenzene 458.27
    MIBK 878.57
    2-propoxyethanol 556.61
    tert-butanol 551.08
    MTBE 1303.13
    2-butoxyethanol 432.27
    propionic acid 156.88
    o-xylene 513.98
    formic acid 6.54
    diethyl ether 1510.37
    m-xylene 489.67
    p-xylene 629.27
    chlorobenzene 667.98
    dimethyl carbonate 127.1
    n-octane 410.22
    formamide 15.69
    cyclopentanone 1806.98
    2-pentanone 1119.7
    anisole 595.14
    cyclopentyl methyl ether 2234.98
    gamma-butyrolactone 1169.57
    1-methoxy-2-propanol 351.58
    pyridine 1059.61
    3-pentanone 919.18
    furfural 676.91
    n-dodecane 127.16
    diethylene glycol 133.25
    diisopropyl ether 871.07
    tert-amyl alcohol 535.68
    acetylacetone 853.33
    n-hexadecane 161.4
    acetophenone 597.38
    methyl propionate 473.94
    isopentyl acetate 1631.16
    trichloroethylene 1844.49
    n-nonanol 326.53
    cyclohexanol 804.58
    benzyl alcohol 251.64
    2-ethylhexanol 827.76
    isooctanol 368.97
    dipropyl ether 3468.57
    1,2-dichlorobenzene 667.96
    ethyl lactate 193.67
    propylene carbonate 682.92
    n-methylformamide 80.09
    2-pentanol 416.18
    n-pentane 589.25
    1-propoxy-2-propanol 896.03
    1-methoxy-2-propyl acetate 997.6
    2-(2-methoxypropoxy) propanol 384.92
    mesitylene 414.5
    ε-caprolactone 1448.46
    p-cymene 580.84
    epichlorohydrin 1395.35
    1,1,1-trichloroethane 1808.17
    2-aminoethanol 28.16
    morpholine-4-carbaldehyde 682.06
    sulfolane 1559.37
    2,2,4-trimethylpentane 234.45
    2-methyltetrahydrofuran 2644.45
    n-hexyl acetate 1042.88
    isooctane 211.91
    2-(2-butoxyethoxy)ethanol 545.13
    sec-butyl acetate 871.98
    tert-butyl acetate 1200.33
    decalin 558.75
    glycerin 32.49
    diglyme 1379.07
    acrylic acid 87.11
    isopropyl myristate 527.81
    n-butyric acid 468.13
    acetyl acetate 495.05
    di(2-ethylhexyl) phthalate 230.36
    ethyl propionate 810.6
    nitromethane 236.65
    1,2-diethoxyethane 1876.38
    benzonitrile 405.53
    trioctyl phosphate 221.64
    1-bromopropane 1596.51
    gamma-valerolactone 1346.15
    n-decanol 242.84
    triethyl phosphate 556.93
    4-methyl-2-pentanol 317.2
    propionitrile 271.15
    vinylene carbonate 406.33
    1,1,2-trichlorotrifluoroethane 595.32
    DMS 411.14
    cumene 349.76
    2-octanol 301.15
    2-hexanone 1086.88
    octyl acetate 514.5
    limonene 1285.29
    1,2-dimethoxyethane 1161.52
    ethyl orthosilicate 629.64
    tributyl phosphate 319.43
    diacetone alcohol 674.62
    N,N-dimethylaniline 451.41
    acrylonitrile 187.7
    aniline 374.34
    1,3-propanediol 83.57
    bromobenzene 939.51
    dibromomethane 1392.1
    1,1,2,2-tetrachloroethane 1969.65
    2-methyl-cyclohexyl acetate 1052.25
    tetrabutyl urea 460.8
    diisobutyl methanol 732.35
    2-phenylethanol 343.12
    styrene 549.65
    dioctyl adipate 594.58
    dimethyl sulfate 236.24
    ethyl butyrate 1744.66
    methyl lactate 113.66
    butyl lactate 435.72
    diethyl carbonate 778.56
    propanediol butyl ether 234.12
    triethyl orthoformate 1273.74
    p-tert-butyltoluene 572.29
    methyl 4-tert-butylbenzoate 533.42
    morpholine 1456.94
    tert-butylamine 544.43
    n-dodecanol 202.07
    dimethoxymethane 475.95
    ethylene carbonate 479.38
    cyrene 341.45
    2-ethoxyethyl acetate 839.14
    2-ethylhexyl acetate 1568.45
    1,2,4-trichlorobenzene 732.47
    4-methylpyridine 964.37
    dibutyl ether 1861.32
    2,6-dimethyl-4-heptanol 732.35
    DEF 957.05
    dimethyl isosorbide 947.18
    tetrachloroethylene 1130.64
    eugenol 330.92
    triacetin 670.45
    span 80 427.15
    1,4-butanediol 34.23
    1,1-dichloroethane 1294.61
    2-methyl-1-pentanol 351.2
    methyl formate 74.11
    2-methyl-1-butanol 357.53
    n-decane 331.96
    butyronitrile 499.94
    3,7-dimethyl-1-octanol 477.28
    1-chlorooctane 701.34
    1-chlorotetradecane 243.86
    n-nonane 395.71
    undecane 189.52
    tert-butylcyclohexane 413.04
    cyclooctane 833.18
    cyclopentanol 615.82
    tetrahydropyran 3140.68
    tert-amyl methyl ether 1069.69
    2,5,8-trioxanonane 788.59
    1-hexene 1197.18
    2-isopropoxyethanol 308.34
    2,2,2-trifluoroethanol 38.18
    methyl butyrate 1049.27

    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