1-Tridecanethiol

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  • Identifiers

    CAS number
    19484-26-5

    Molecular formula
    C13H28S

    SMILES
    CCCCCCCCCCCCCS

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sulfurous 81.65%
    Meaty 75.06%
    Fatty 73.58%
    Savory 52.38%
    Roasted 47.2%
    Waxy 43.68%
    Vegetable 40.7%
    Burnt 36.09%
    Mushroom 34.58%
    Cooked 33.71%

     

    Flavor
    Waxy 39.73%
    Fatty 36.74%
    Alkane 34.59%
    Fat 27.35%
    Mild 25.33%
    Slightly waxy 24.29%
    Incense 23.93%
    Citrus peel 23.77%
    Skunky 23.64%
    Delicate 23.47%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    8.82 (weak base)

    Molecular weight
    216.43 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    293°C

    Flash point

    • 115.85 ˚C est.

  • Synonyms

    • tridecane-1-thiol
    • 1-TRIDECANETHIOL
    • Tridecyl mercaptan
    • 19484-26-5
    • TRIDECYL THIOL
    • NSC 851
    • NSC-851
    • YW32XX0340
    • EINECS 243-104-3
    • 1-MERCAPTOTRIDECANE
    • DTXSID8066501
    • RefChem:436856
    • DTXCID3036107
    • Tridecanethiol
    • UNII-YW32XX0340
    • NSC851
    • 1-TRIDECANTHIOL
    • SCHEMBL132801
    • SCHEMBL132802
    • SCHEMBL2794610
    • SCHEMBL5063700
    • SCHEMBL9682258
    • SCHEMBL20473142
    • UAA48426
    • NS00026354
    • Q27294742
    • 19484-26-5

  • Applications

    1-Tridecanethiol (CAS 19484-26-5) has practical applications across several industries: as an odorant/fragrance ingredient in perfumery and personal care; as a chemical intermediate for the synthesis of thioether and disulfide compounds; as a surface-anchoring ligand for self-assembled monolayers on gold and other metals for electronics, sensors, and surface engineering; as a polymer chemistry reagent used as a chain-transfer or end-capping agent to control molecular weight in sulfur-containing polymers; and as a ligand for metal nanoparticles to stabilize and tailor size, particularly for gold nanoparticles.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 168.89
    methanol 68.59
    isopropanol 267.58
    water 0.0
    ethyl acetate 989.02
    n-propanol 270.57
    acetone 841.36
    n-butanol 412.1
    acetonitrile 168.35
    DMF 430.24
    toluene 805.65
    isobutanol 293.41
    1,4-dioxane 1571.55
    methyl acetate 505.09
    THF 3709.23
    2-butanone 974.54
    n-pentanol 335.05
    sec-butanol 401.93
    n-hexane 1089.62
    ethylene glycol 8.26
    NMP 779.94
    cyclohexane 2708.77
    DMSO 751.37
    n-butyl acetate 2338.64
    n-octanol 353.37
    chloroform 1894.33
    n-propyl acetate 1064.14
    acetic acid 137.22
    dichloromethane 1663.29
    cyclohexanone 2459.14
    propylene glycol 30.09
    isopropyl acetate 920.08
    DMAc 521.73
    2-ethoxyethanol 308.7
    isopentanol 536.3
    n-heptane 2158.26
    ethyl formate 252.35
    1,2-dichloroethane 1467.64
    n-hexanol 739.52
    2-methoxyethanol 329.69
    isobutyl acetate 815.27
    tetrachloromethane 595.07
    n-pentyl acetate 1118.72
    transcutol 1861.32
    n-heptanol 372.41
    ethylbenzene 497.98
    MIBK 940.83
    2-propoxyethanol 687.48
    tert-butanol 687.53
    MTBE 1530.97
    2-butoxyethanol 483.62
    propionic acid 178.87
    o-xylene 527.16
    formic acid 7.66
    diethyl ether 1838.13
    m-xylene 523.51
    p-xylene 658.14
    chlorobenzene 713.76
    dimethyl carbonate 127.15
    n-octane 437.4
    formamide 17.91
    cyclopentanone 1911.43
    2-pentanone 1259.14
    anisole 617.66
    cyclopentyl methyl ether 2395.17
    gamma-butyrolactone 1192.83
    1-methoxy-2-propanol 418.88
    pyridine 1242.04
    3-pentanone 1002.14
    furfural 704.33
    n-dodecane 137.05
    diethylene glycol 168.76
    diisopropyl ether 955.47
    tert-amyl alcohol 640.58
    acetylacetone 904.78
    n-hexadecane 173.58
    acetophenone 598.49
    methyl propionate 504.49
    isopentyl acetate 1752.83
    trichloroethylene 1940.53
    n-nonanol 365.65
    cyclohexanol 912.68
    benzyl alcohol 282.02
    2-ethylhexanol 957.03
    isooctanol 408.65
    dipropyl ether 3891.25
    1,2-dichlorobenzene 678.24
    ethyl lactate 199.68
    propylene carbonate 692.48
    n-methylformamide 92.15
    2-pentanol 508.91
    n-pentane 705.07
    1-propoxy-2-propanol 1036.82
    1-methoxy-2-propyl acetate 1041.65
    2-(2-methoxypropoxy) propanol 410.48
    mesitylene 431.03
    ε-caprolactone 1496.79
    p-cymene 594.93
    epichlorohydrin 1492.59
    1,1,1-trichloroethane 1871.57
    2-aminoethanol 37.21
    morpholine-4-carbaldehyde 716.14
    sulfolane 1553.6
    2,2,4-trimethylpentane 251.32
    2-methyltetrahydrofuran 2946.58
    n-hexyl acetate 1076.23
    isooctane 230.2
    2-(2-butoxyethoxy)ethanol 596.98
    sec-butyl acetate 912.24
    tert-butyl acetate 1230.34
    decalin 586.73
    glycerin 41.2
    diglyme 1471.47
    acrylic acid 99.11
    isopropyl myristate 531.05
    n-butyric acid 532.19
    acetyl acetate 512.28
    di(2-ethylhexyl) phthalate 237.89
    ethyl propionate 840.41
    nitromethane 265.53
    1,2-diethoxyethane 2083.33
    benzonitrile 447.21
    trioctyl phosphate 230.23
    1-bromopropane 1837.15
    gamma-valerolactone 1426.24
    n-decanol 267.8
    triethyl phosphate 545.17
    4-methyl-2-pentanol 368.72
    propionitrile 328.76
    vinylene carbonate 413.09
    1,1,2-trichlorotrifluoroethane 635.67
    DMS 410.44
    cumene 363.1
    2-octanol 333.49
    2-hexanone 1267.1
    octyl acetate 522.08
    limonene 1331.89
    1,2-dimethoxyethane 1326.82
    ethyl orthosilicate 622.02
    tributyl phosphate 326.62
    diacetone alcohol 717.29
    N,N-dimethylaniline 457.33
    acrylonitrile 226.3
    aniline 418.37
    1,3-propanediol 107.13
    bromobenzene 993.79
    dibromomethane 1552.81
    1,1,2,2-tetrachloroethane 2063.66
    2-methyl-cyclohexyl acetate 1057.11
    tetrabutyl urea 466.95
    diisobutyl methanol 797.83
    2-phenylethanol 388.57
    styrene 608.75
    dioctyl adipate 594.9
    dimethyl sulfate 231.62
    ethyl butyrate 1827.37
    methyl lactate 120.14
    butyl lactate 448.53
    diethyl carbonate 793.1
    propanediol butyl ether 265.91
    triethyl orthoformate 1283.96
    p-tert-butyltoluene 581.43
    methyl 4-tert-butylbenzoate 521.75
    morpholine 1713.78
    tert-butylamine 667.5
    n-dodecanol 222.44
    dimethoxymethane 526.48
    ethylene carbonate 483.91
    cyrene 346.48
    2-ethoxyethyl acetate 856.62
    2-ethylhexyl acetate 1673.15
    1,2,4-trichlorobenzene 743.98
    4-methylpyridine 1091.72
    dibutyl ether 2027.91
    2,6-dimethyl-4-heptanol 797.83
    DEF 1021.42
    dimethyl isosorbide 955.9
    tetrachloroethylene 1192.98
    eugenol 339.92
    triacetin 657.66
    span 80 460.34
    1,4-butanediol 43.46
    1,1-dichloroethane 1426.08
    2-methyl-1-pentanol 421.22
    methyl formate 81.23
    2-methyl-1-butanol 433.33
    n-decane 353.55
    butyronitrile 601.47
    3,7-dimethyl-1-octanol 528.53
    1-chlorooctane 742.89
    1-chlorotetradecane 252.79
    n-nonane 426.08
    undecane 204.57
    tert-butylcyclohexane 436.85
    cyclooctane 870.8
    cyclopentanol 700.81
    tetrahydropyran 3640.05
    tert-amyl methyl ether 1171.11
    2,5,8-trioxanonane 826.06
    1-hexene 1538.32
    2-isopropoxyethanol 360.96
    2,2,2-trifluoroethanol 39.91
    methyl butyrate 1104.64

    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