1-Dodecanethiol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    112-55-0

    Molecular formula
    C12H26S

    SMILES
    CCCCCCCCCCCCS

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sulfurous 83.73%
    Meaty 76.81%
    Fatty 73.91%
    Savory 54.31%
    Roasted 50.5%
    Vegetable 44.64%
    Waxy 40.24%
    Burnt 37.25%
    Mushroom 35.6%
    Cooked 34.75%

     

    Flavor
    Fatty 39.29%
    Waxy 38.37%
    Alkane 32.51%
    Fat 28.71%
    Mild 24.75%
    Slightly waxy 24.3%
    Incense 24.24%
    Skunky 24.22%
    Citrus peel 24.05%
    Delicate 23.52%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 0.00025 [mmHg]. Odor threshold from ACGIH
    • 4 mg/cu m

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    8.91 (weak base)

    Molecular weight
    202.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 19 °F (NTP, 1992)
    • -7 °C
    • -7 - -9 °C
    • 19 °F
    • 15 °F

    Boiling point

    • 511 to 541 °F at 760 mmHg (NTP, 1992)
    • 260-268 mm Hg at 760 mm Hg
    • BP: 142-145 °C @ 15 MM HG
    • 266-285 °C
    • 441-478 °F

    Flash point

    • 106.64 ˚C est.
    • 190 °F (NTP, 1992)
    • 128 °C
    • 262 °F (128 °C) (Open cup)
    • 88 °C o.c.
    • 190 °F (open cup)
    • (oc) 190 °F

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • Insol in water; sol in ethanol, ether, chloroform
    • SOL IN METHANOL, ACETONE, BENZENE
    • Sol in gasoline, ethyl acetate
    • Solubility in water: none
    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)
    • Insoluble

  • Synonyms

    • 1-DODECANETHIOL
    • Dodecane-1-thiol
    • 112-55-0
    • Dodecyl mercaptan
    • Dodecanethiol
    • Lauryl mercaptan
    • n-Dodecyl mercaptan
    • n-Dodecanethiol
    • N-Dodecylmercaptan
    • 1-Mercaptododecane
    • n-Lauryl mercaptan
    • Dodecylmercaptan
    • 1-Dodecyl mercaptan
    • Pennfloat M
    • Pennfloat S
    • 1-dodecylthiol
    • Lauryl mercaptide
    • M-Lauryl mercaptan
    • M-Dodecyl mercaptan
    • Dodecylthiol
    • n-Dodecylthiol
    • Thiokalcol 20
    • Dodecyl mercaptan (VAN)
    • NSC 814
    • CCRIS 743
    • 1322-36-7
    • HSDB 1074
    • NCI-C60935
    • EINECS 203-984-1
    • UNII-S8ZJB6X253
    • Dodecanethiol-(1)
    • BRN 0969337
    • DTXSID6025220
    • AI3-07577
    • NSC-814
    • MFCD00004885
    • DTXCID505220
    • S8ZJB6X253
    • 1-DODECANETHIOL [HSDB]
    • FEMA NO. 4581
    • EC 203-984-1
    • 4-01-00-01851 (Beilstein Handbook Reference)
    • dodecanthiol
    • Stibine, tris(dodecylthio)-
    • CAS-112-55-0
    • 1-Dodecanethiol, antimony(3+) salt
    • laurylmercaptan
    • Thioantimonic acid (H3SbS3), tridodecyl ester
    • dodecane thiol
    • 1-dodecanthiol
    • dodecyl-mercaptan
    • 1Mercaptododecane
    • nLauryl mercaptan
    • 1-dodecane thiol
    • nDodecyl mercaptan
    • 1-dodecylmercaptan
    • 1Dodecyl mercaptan
    • n-dodecyl-mercaptan
    • normal dodecylmercaptan
    • normal dodecyl mercaptan
    • 1-Dodecanethiol, >=98%
    • SCHEMBL15369
    • NSC814
    • CHEMBL3185403
    • NSC11884
    • Tox21_201758
    • Tox21_303101
    • NSC-11884
    • NSC229570
    • STL483072
    • WLN: 12S-SB-S12&S12
    • AKOS015960383
    • FD35734
    • NSC-229570
    • NCGC00249113-01
    • NCGC00257179-01
    • NCGC00259307-01
    • BP-10739
    • LS-14165
    • 1-Dodecanethiol, purum, >=97.0% (GC)
    • DB-021314
    • D0970
    • NS00003352
    • EN300-1859909
    • Q161619
    • 215-338-6
    • 30237-11-7

  • Applications

    1-Dodecanethiol (CAS 112-55-0) is used as a surface-modifying agent and linker in surface chemistry and electronics, forming self-assembled monolayers on gold and other substrates to tailor surface properties such as wettability, corrosion resistance, and biocompatibility for sensors and microelectronic applications. It serves as a reagent and chain-transfer agent in radical polymerization to control polymer molecular weight and introduce a dodecyl thioether end-group in polymers and coatings. It is employed as an intermediate in organic synthesis to install organic sulfide (thioether) functionalities in specialty chemicals and pharmaceutical-related compounds. In coatings and inks, it can act as an adhesion-promoting additive or as a metal-substrate modifier to improve coating adhesion. Subject to local regulations and formulation limits, it may also be used as an odorant or fragrance component in perfumery formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 363.11
    methanol 145.06
    isopropanol 547.71
    water 0.0
    ethyl acetate 1464.41
    n-propanol 524.85
    acetone 1523.48
    n-butanol 749.08
    acetonitrile 335.33
    DMF 648.26
    toluene 1138.3
    isobutanol 529.36
    1,4-dioxane 2396.85
    methyl acetate 789.58
    THF 5659.1
    2-butanone 1549.45
    n-pentanol 584.5
    sec-butanol 734.08
    n-hexane 1796.59
    ethylene glycol 16.76
    NMP 944.54
    cyclohexane 3956.53
    DMSO 1240.2
    n-butyl acetate 3386.98
    n-octanol 520.88
    chloroform 2634.32
    n-propyl acetate 1519.11
    acetic acid 238.5
    dichloromethane 2390.74
    cyclohexanone 3397.72
    propylene glycol 57.6
    isopropyl acetate 1308.97
    DMAc 667.29
    2-ethoxyethanol 494.52
    isopentanol 892.65
    n-heptane 3029.47
    ethyl formate 397.26
    1,2-dichloroethane 2123.03
    n-hexanol 1244.62
    2-methoxyethanol 568.13
    isobutyl acetate 1090.47
    tetrachloromethane 823.2
    n-pentyl acetate 1421.24
    transcutol 2576.88
    n-heptanol 564.47
    ethylbenzene 660.22
    MIBK 1334.43
    2-propoxyethanol 1083.44
    tert-butanol 1218.73
    MTBE 2420.75
    2-butoxyethanol 683.6
    propionic acid 285.12
    o-xylene 660.99
    formic acid 12.82
    diethyl ether 2997.33
    m-xylene 691.36
    p-xylene 854.68
    chlorobenzene 981.85
    dimethyl carbonate 174.45
    n-octane 599.58
    formamide 30.55
    cyclopentanone 2701.76
    2-pentanone 1919.78
    anisole 792.96
    cyclopentyl methyl ether 3284.89
    gamma-butyrolactone 1637.49
    1-methoxy-2-propanol 675.03
    pyridine 1857.23
    3-pentanone 1425.48
    furfural 923.73
    n-dodecane 188.96
    diethylene glycol 279.14
    diisopropyl ether 1392.85
    tert-amyl alcohol 1045.59
    acetylacetone 1297.28
    n-hexadecane 237.04
    acetophenone 720.78
    methyl propionate 727.8
    isopentyl acetate 2395.0
    trichloroethylene 2585.14
    n-nonanol 513.32
    cyclohexanol 1362.98
    benzyl alcohol 385.96
    2-ethylhexanol 1411.58
    isooctanol 584.01
    dipropyl ether 5426.89
    1,2-dichlorobenzene 861.7
    ethyl lactate 259.95
    propylene carbonate 921.19
    n-methylformamide 153.47
    2-pentanol 865.12
    n-pentane 1179.01
    1-propoxy-2-propanol 1512.64
    1-methoxy-2-propyl acetate 1370.6
    2-(2-methoxypropoxy) propanol 518.29
    mesitylene 556.65
    ε-caprolactone 1971.79
    p-cymene 742.45
    epichlorohydrin 2081.11
    1,1,1-trichloroethane 2563.42
    2-aminoethanol 70.31
    morpholine-4-carbaldehyde 946.52
    sulfolane 1956.61
    2,2,4-trimethylpentane 356.41
    2-methyltetrahydrofuran 4341.6
    n-hexyl acetate 1388.78
    isooctane 337.24
    2-(2-butoxyethoxy)ethanol 788.14
    sec-butyl acetate 1212.21
    tert-butyl acetate 1680.71
    decalin 759.76
    glycerin 71.19
    diglyme 1888.62
    acrylic acid 155.97
    isopropyl myristate 654.51
    n-butyric acid 849.13
    acetyl acetate 721.94
    di(2-ethylhexyl) phthalate 293.75
    ethyl propionate 1112.54
    nitromethane 432.59
    1,2-diethoxyethane 2855.54
    benzonitrile 631.68
    trioctyl phosphate 291.0
    1-bromopropane 2777.39
    gamma-valerolactone 1931.51
    n-decanol 370.85
    triethyl phosphate 643.5
    4-methyl-2-pentanol 565.97
    propionitrile 577.25
    vinylene carbonate 551.33
    1,1,2-trichlorotrifluoroethane 863.66
    DMS 509.88
    cumene 453.51
    2-octanol 482.06
    2-hexanone 1886.16
    octyl acetate 644.07
    limonene 1688.5
    1,2-dimethoxyethane 1952.25
    ethyl orthosilicate 739.18
    tributyl phosphate 407.74
    diacetone alcohol 971.43
    N,N-dimethylaniline 553.66
    acrylonitrile 391.33
    aniline 606.74
    1,3-propanediol 190.85
    bromobenzene 1348.25
    dibromomethane 2291.76
    1,1,2,2-tetrachloroethane 2720.08
    2-methyl-cyclohexyl acetate 1272.36
    tetrabutyl urea 563.6
    diisobutyl methanol 1076.59
    2-phenylethanol 555.17
    styrene 833.72
    dioctyl adipate 712.53
    dimethyl sulfate 298.02
    ethyl butyrate 2395.16
    methyl lactate 167.32
    butyl lactate 573.33
    diethyl carbonate 1011.15
    propanediol butyl ether 376.68
    triethyl orthoformate 1591.12
    p-tert-butyltoluene 721.11
    methyl 4-tert-butylbenzoate 598.23
    morpholine 2614.63
    tert-butylamine 1151.57
    n-dodecanol 300.52
    dimethoxymethane 803.63
    ethylene carbonate 651.36
    cyrene 419.04
    2-ethoxyethyl acetate 1090.9
    2-ethylhexyl acetate 2248.65
    1,2,4-trichlorobenzene 920.12
    4-methylpyridine 1576.79
    dibutyl ether 2749.36
    2,6-dimethyl-4-heptanol 1076.59
    DEF 1403.89
    dimethyl isosorbide 1131.41
    tetrachloroethylene 1606.67
    eugenol 410.46
    triacetin 778.5
    span 80 602.28
    1,4-butanediol 75.21
    1,1-dichloroethane 2153.65
    2-methyl-1-pentanol 648.58
    methyl formate 130.07
    2-methyl-1-butanol 710.35
    n-decane 476.61
    butyronitrile 1040.23
    3,7-dimethyl-1-octanol 734.97
    1-chlorooctane 991.11
    1-chlorotetradecane 325.54
    n-nonane 585.45
    undecane 277.7
    tert-butylcyclohexane 579.16
    cyclooctane 1201.76
    cyclopentanol 1090.65
    tetrahydropyran 5544.92
    tert-amyl methyl ether 1647.44
    2,5,8-trioxanonane 1025.19
    1-hexene 2594.26
    2-isopropoxyethanol 541.13
    2,2,2-trifluoroethanol 60.68
    methyl butyrate 1477.45

    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