1-Mercaptododecan-2-ol

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  • Identifiers

    CAS number
    20611-11-4

    Molecular formula
    C12H26OS

    SMILES
    CCCCCCCCCCC(CS)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 51.76%
    Citrus 47.91%
    Meaty 46.01%
    Sulfurous 41.97%
    Waxy 36.65%
    Savory 35.54%
    Grapefruit 35.16%
    Oily 34.56%
    Fresh 27.84%
    Roasted 26.26%

     

    Flavor
    Fatty 36.72%
    Mild 32.25%
    Waxy 29.82%
    Fat 26.33%
    Bland 25.25%
    Sulfurous 24.3%
    Odorless 23.6%
    Slightly waxy 23.12%
    Delicate 22.83%
    Skunky 22.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    8.07 (weak base)

    Molecular weight
    218.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    300°C

    Flash point

    • 125.37 ˚C est.

  • Synonyms

    • 1-Mercaptododecan-2-ol
    • 20611-11-4
    • 1-sulfanyldodecan-2-ol
    • EINECS 243-918-9
    • SCHEMBL7791306
    • DTXSID40942798
    • GGMUJCCSBRQVTP-UHFFFAOYSA-N
    • NS00051449
    • 20611-11-4

  • Applications

    1-Mercaptododecan-2-ol is a bifunctional thiol–alcohol building block that serves as a versatile precursor in polymers and materials. In polymer and materials chemistry it is commonly used as an intermediate for thiol-ene reactions and as a chain-transfer or end-group modifier in radical polymerizations and in polyurethane/thiol-urethane formulations, enabling functionalized networks and controlled crosslinking. The thiol group also enables surface modification of metal substrates to form self-assembled monolayers, thereby tailoring surface properties and interfacial performance for coatings and electronic devices. In cosmetics and personal care it can be used as a precursor for specialty surfactants and functional additives that combine a hydrophobic tail with a reactive head group for improved aesthetics and performance. In fragrance chemistry it may serve as an intermediate to synthesize sulfur-containing aroma compounds or fixatives. It can also be employed as a building block for thiol-ene crosslinked coatings and adhesives, where rapid curing and robust networks are sought, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1189.67
    methanol 777.12
    isopropanol 1500.58
    water 0.01
    ethyl acetate 1080.06
    n-propanol 1198.01
    acetone 1864.87
    n-butanol 1247.69
    acetonitrile 436.23
    DMF 798.92
    toluene 347.27
    isobutanol 960.64
    1,4-dioxane 1624.62
    methyl acetate 650.3
    THF 3817.63
    2-butanone 1433.05
    n-pentanol 885.7
    sec-butanol 1172.53
    n-hexane 504.38
    ethylene glycol 50.36
    NMP 680.3
    cyclohexane 807.5
    DMSO 1876.2
    n-butyl acetate 1538.41
    n-octanol 376.7
    chloroform 1441.16
    n-propyl acetate 1173.86
    acetic acid 414.76
    dichloromethane 1244.19
    cyclohexanone 2065.36
    propylene glycol 160.87
    isopropyl acetate 854.97
    DMAc 580.93
    2-ethoxyethanol 824.68
    isopentanol 1108.44
    n-heptane 417.0
    ethyl formate 398.19
    1,2-dichloroethane 1115.36
    n-hexanol 1017.46
    2-methoxyethanol 1082.91
    isobutyl acetate 711.61
    tetrachloromethane 345.71
    n-pentyl acetate 807.33
    transcutol 2617.89
    n-heptanol 437.05
    ethylbenzene 238.22
    MIBK 848.35
    2-propoxyethanol 1079.97
    tert-butanol 1753.67
    MTBE 1764.53
    2-butoxyethanol 674.98
    propionic acid 413.74
    o-xylene 228.29
    formic acid 50.62
    diethyl ether 2003.14
    m-xylene 244.08
    p-xylene 309.54
    chlorobenzene 429.29
    dimethyl carbonate 110.9
    n-octane 105.23
    formamide 90.03
    cyclopentanone 1749.12
    2-pentanone 1574.2
    anisole 414.91
    cyclopentyl methyl ether 1563.32
    gamma-butyrolactone 1177.68
    1-methoxy-2-propanol 1088.82
    pyridine 996.83
    3-pentanone 805.04
    furfural 749.24
    n-dodecane 43.23
    diethylene glycol 432.05
    diisopropyl ether 570.72
    tert-amyl alcohol 1167.15
    acetylacetone 953.65
    n-hexadecane 52.69
    acetophenone 417.58
    methyl propionate 515.82
    isopentyl acetate 1119.26
    trichloroethylene 1450.17
    n-nonanol 332.1
    cyclohexanol 1169.78
    benzyl alcohol 342.05
    2-ethylhexanol 685.5
    isooctanol 391.62
    dipropyl ether 1574.51
    1,2-dichlorobenzene 387.42
    ethyl lactate 246.41
    propylene carbonate 634.89
    n-methylformamide 275.65
    2-pentanol 994.24
    n-pentane 331.42
    1-propoxy-2-propanol 1090.61
    1-methoxy-2-propyl acetate 777.83
    2-(2-methoxypropoxy) propanol 418.42
    mesitylene 179.29
    ε-caprolactone 1317.02
    p-cymene 204.09
    epichlorohydrin 1386.98
    1,1,1-trichloroethane 1097.87
    2-aminoethanol 213.82
    morpholine-4-carbaldehyde 843.61
    sulfolane 1426.97
    2,2,4-trimethylpentane 101.04
    2-methyltetrahydrofuran 2501.26
    n-hexyl acetate 789.22
    isooctane 91.49
    2-(2-butoxyethoxy)ethanol 698.78
    sec-butyl acetate 757.73
    tert-butyl acetate 949.77
    decalin 166.33
    glycerin 182.17
    diglyme 1431.97
    acrylic acid 214.36
    isopropyl myristate 289.1
    n-butyric acid 1074.47
    acetyl acetate 452.19
    di(2-ethylhexyl) phthalate 184.42
    ethyl propionate 672.94
    nitromethane 622.15
    1,2-diethoxyethane 1498.25
    benzonitrile 439.2
    trioctyl phosphate 176.42
    1-bromopropane 1189.83
    gamma-valerolactone 1616.85
    n-decanol 220.36
    triethyl phosphate 275.32
    4-methyl-2-pentanol 517.64
    propionitrile 557.39
    vinylene carbonate 424.54
    1,1,2-trichlorotrifluoroethane 790.12
    DMS 317.3
    cumene 169.63
    2-octanol 331.66
    2-hexanone 1301.73
    octyl acetate 317.5
    limonene 440.0
    1,2-dimethoxyethane 1805.53
    ethyl orthosilicate 302.91
    tributyl phosphate 230.21
    diacetone alcohol 795.06
    N,N-dimethylaniline 268.04
    acrylonitrile 395.05
    aniline 379.29
    1,3-propanediol 496.39
    bromobenzene 475.95
    dibromomethane 1079.69
    1,1,2,2-tetrachloroethane 1419.84
    2-methyl-cyclohexyl acetate 557.28
    tetrabutyl urea 283.68
    diisobutyl methanol 419.64
    2-phenylethanol 391.22
    styrene 302.81
    dioctyl adipate 368.93
    dimethyl sulfate 203.84
    ethyl butyrate 928.75
    methyl lactate 185.47
    butyl lactate 466.19
    diethyl carbonate 399.96
    propanediol butyl ether 496.71
    triethyl orthoformate 605.8
    p-tert-butyltoluene 200.72
    methyl 4-tert-butylbenzoate 347.33
    morpholine 2281.71
    tert-butylamine 1239.56
    n-dodecanol 160.77
    dimethoxymethane 749.21
    ethylene carbonate 459.72
    cyrene 349.18
    2-ethoxyethyl acetate 748.45
    2-ethylhexyl acetate 891.76
    1,2,4-trichlorobenzene 443.91
    4-methylpyridine 903.43
    dibutyl ether 979.65
    2,6-dimethyl-4-heptanol 419.64
    DEF 973.53
    dimethyl isosorbide 712.39
    tetrachloroethylene 963.16
    eugenol 307.43
    triacetin 537.7
    span 80 466.51
    1,4-butanediol 187.85
    1,1-dichloroethane 1259.75
    2-methyl-1-pentanol 679.27
    methyl formate 174.92
    2-methyl-1-butanol 857.39
    n-decane 108.92
    butyronitrile 952.53
    3,7-dimethyl-1-octanol 412.66
    1-chlorooctane 344.31
    1-chlorotetradecane 109.16
    n-nonane 123.0
    undecane 63.77
    tert-butylcyclohexane 143.81
    cyclooctane 173.95
    cyclopentanol 1092.87
    tetrahydropyran 3363.91
    tert-amyl methyl ether 934.32
    2,5,8-trioxanonane 785.8
    1-hexene 1189.07
    2-isopropoxyethanol 698.85
    2,2,2-trifluoroethanol 91.95
    methyl butyrate 1012.2

    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