6-Mercapto-1-hexanol

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  • Identifiers

    CAS number
    1633-78-9

    Molecular formula
    C6H14OS

    SMILES
    C(CCCS)CCO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 67.68%
    Meaty 62.11%
    Savory 44.6%
    Cheesy 42.15%
    Fruity 38.8%
    Fatty 38.16%
    Vegetable 36.72%
    Roasted 35.87%
    Mushroom 35.12%
    Grapefruit 34.75%

     

    Flavor
    Sulfurous 49.35%
    Sweet 46.16%
    Fatty 40.44%
    Vegetable 36.62%
    Meaty 35.63%
    Onion 34.19%
    Burnt 33.72%
    Fishy 32.46%
    Sulfury 31.07%
    Roasted 29.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.79 (weak base)

    Molecular weight
    134.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    240°C

    Flash point

    • 91.4 ˚C est.

  • Synonyms

    • 6-Mercapto-1-hexanol
    • 1633-78-9
    • 6-sulfanylhexan-1-ol
    • DTXSID90339932
    • 6-Hydroxy-1-hexanethiol
    • RefChem:543504
    • DTXCID60291013
    • 629-484-7
    • 6-MERCAPTOHEXAN-1-OL
    • 1-Hexanol, 6-mercapto-
    • 6-Mercaptohexanol
    • MFCD00068552
    • 1-Mercapto-6-hexanol; 6-Hydroxy-1-hexanethiol; 6-Hydroxyhexyl Mercaptan; 6-Mercaptohexanol; Mercaptohexanol
    • 6-Mercapto-1-hexanole
    • 6-mercapto-hexan-1-ol
    • 6-Hydroxy-1-hexanethio
    • 6-Sulfanyl-1-hexanol #
    • SCHEMBL36563
    • 6-Mercapto-1-hexanol, 97%
    • 6-Mercapto-1-hexanol, 99%
    • orb2939624
    • SCHEMBL1518851
    • SCHEMBL2048070
    • SBB058615
    • AKOS024384068
    • FM35354
    • HY-W105718
    • AS-57660
    • M2266
    • ST51033899
    • EN300-314574
    • N11988
    • 1633-78-9

  • Applications

    6-Mercapto-1-hexanol (CAS 1633-78-9) is a bifunctional building block (thiol and alcohol) used in organic synthesis and polymer chemistry to form thioether linkages; it also serves as a precursor for surface modification via self-assembled monolayers on metal substrates such as gold and silver, enabling sensor applications, electronics, and protective coatings; it participates in crosslinking chemistries for coatings and adhesives through thiol–ene or thiol–epoxy reactions; it is employed as a fragrance/odorant intermediate in perfumery, providing sulfur-containing notes and enabling tuning of odor properties; and it functions as a multifunctional building block for functional polymers or materials, for example as a linker in functionalized polymers or biomaterials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6513.19
    methanol 10203.61
    isopropanol 4168.53
    water 11.77
    ethyl acetate 794.92
    n-propanol 4390.93
    acetone 3708.02
    n-butanol 3988.42
    acetonitrile 1091.8
    DMF 2730.72
    toluene 185.49
    isobutanol 2385.22
    1,4-dioxane 1945.27
    methyl acetate 726.2
    THF 4061.82
    2-butanone 1410.17
    n-pentanol 1611.25
    sec-butanol 2234.33
    n-hexane 129.65
    ethylene glycol 1468.15
    NMP 1183.43
    cyclohexane 241.94
    DMSO 5924.87
    n-butyl acetate 861.0
    n-octanol 316.24
    chloroform 1097.16
    n-propyl acetate 658.42
    acetic acid 3196.46
    dichloromethane 909.7
    cyclohexanone 2122.15
    propylene glycol 1474.77
    isopropyl acetate 409.16
    DMAc 704.62
    2-ethoxyethanol 1649.63
    isopentanol 2007.52
    n-heptane 117.28
    ethyl formate 804.49
    1,2-dichloroethane 807.84
    n-hexanol 1383.55
    2-methoxyethanol 4275.63
    isobutyl acetate 343.53
    tetrachloromethane 298.26
    n-pentyl acetate 359.67
    transcutol 2674.3
    n-heptanol 434.17
    ethylbenzene 86.0
    MIBK 492.8
    2-propoxyethanol 1555.89
    tert-butanol 3031.48
    MTBE 816.41
    2-butoxyethanol 769.0
    propionic acid 1671.67
    o-xylene 111.85
    formic acid 1407.97
    diethyl ether 1036.8
    m-xylene 129.35
    p-xylene 134.38
    chlorobenzene 303.16
    dimethyl carbonate 148.38
    n-octane 27.32
    formamide 1755.03
    cyclopentanone 2425.95
    2-pentanone 1332.15
    anisole 254.75
    cyclopentyl methyl ether 1201.09
    gamma-butyrolactone 1910.27
    1-methoxy-2-propanol 2158.12
    pyridine 1233.35
    3-pentanone 562.2
    furfural 1296.75
    n-dodecane 14.67
    diethylene glycol 1311.84
    diisopropyl ether 180.77
    tert-amyl alcohol 1382.66
    acetylacetone 839.53
    n-hexadecane 16.41
    acetophenone 260.74
    methyl propionate 550.89
    isopentyl acetate 564.11
    trichloroethylene 1324.93
    n-nonanol 237.33
    cyclohexanol 1769.92
    benzyl alcohol 371.34
    2-ethylhexanol 504.57
    isooctanol 276.72
    dipropyl ether 617.37
    1,2-dichlorobenzene 231.61
    ethyl lactate 246.2
    propylene carbonate 694.06
    n-methylformamide 2012.04
    2-pentanol 1528.59
    n-pentane 144.01
    1-propoxy-2-propanol 1065.67
    1-methoxy-2-propyl acetate 450.9
    2-(2-methoxypropoxy) propanol 358.39
    mesitylene 84.37
    ε-caprolactone 1143.03
    p-cymene 92.28
    epichlorohydrin 1497.19
    1,1,1-trichloroethane 566.71
    2-aminoethanol 2485.8
    morpholine-4-carbaldehyde 1266.2
    sulfolane 1925.35
    2,2,4-trimethylpentane 39.74
    2-methyltetrahydrofuran 2257.15
    n-hexyl acetate 402.62
    isooctane 32.83
    2-(2-butoxyethoxy)ethanol 665.03
    sec-butyl acetate 269.89
    tert-butyl acetate 415.05
    decalin 43.03
    glycerin 1522.07
    diglyme 1283.67
    acrylic acid 1289.77
    isopropyl myristate 121.48
    n-butyric acid 2423.54
    acetyl acetate 343.55
    di(2-ethylhexyl) phthalate 130.06
    ethyl propionate 313.46
    nitromethane 2475.86
    1,2-diethoxyethane 739.76
    benzonitrile 451.13
    trioctyl phosphate 117.17
    1-bromopropane 513.31
    gamma-valerolactone 2165.48
    n-decanol 157.78
    triethyl phosphate 136.7
    4-methyl-2-pentanol 477.43
    propionitrile 1020.91
    vinylene carbonate 581.31
    1,1,2-trichlorotrifluoroethane 1223.49
    DMS 211.29
    cumene 66.83
    2-octanol 231.11
    2-hexanone 844.06
    octyl acetate 163.45
    limonene 189.33
    1,2-dimethoxyethane 1880.33
    ethyl orthosilicate 151.99
    tributyl phosphate 144.47
    diacetone alcohol 709.72
    N,N-dimethylaniline 158.43
    acrylonitrile 1071.18
    aniline 543.19
    1,3-propanediol 3368.4
    bromobenzene 227.65
    dibromomethane 684.45
    1,1,2,2-tetrachloroethane 1059.4
    2-methyl-cyclohexyl acetate 260.98
    tetrabutyl urea 184.82
    diisobutyl methanol 248.2
    2-phenylethanol 360.21
    styrene 136.33
    dioctyl adipate 198.9
    dimethyl sulfate 272.13
    ethyl butyrate 426.55
    methyl lactate 355.13
    butyl lactate 331.23
    diethyl carbonate 209.41
    propanediol butyl ether 685.66
    triethyl orthoformate 289.8
    p-tert-butyltoluene 89.22
    methyl 4-tert-butylbenzoate 227.89
    morpholine 3061.0
    tert-butylamine 1465.13
    n-dodecanol 113.51
    dimethoxymethane 1119.13
    ethylene carbonate 531.35
    cyrene 331.51
    2-ethoxyethyl acetate 410.06
    2-ethylhexyl acetate 392.42
    1,2,4-trichlorobenzene 275.31
    4-methylpyridine 832.88
    dibutyl ether 350.51
    2,6-dimethyl-4-heptanol 248.2
    DEF 909.36
    dimethyl isosorbide 479.08
    tetrachloroethylene 996.16
    eugenol 283.38
    triacetin 316.41
    span 80 435.77
    1,4-butanediol 953.24
    1,1-dichloroethane 684.05
    2-methyl-1-pentanol 778.98
    methyl formate 1044.9
    2-methyl-1-butanol 1685.79
    n-decane 28.91
    butyronitrile 1401.15
    3,7-dimethyl-1-octanol 253.42
    1-chlorooctane 125.39
    1-chlorotetradecane 38.12
    n-nonane 31.39
    undecane 19.29
    tert-butylcyclohexane 41.4
    cyclooctane 48.43
    cyclopentanol 2490.4
    tetrahydropyran 2728.86
    tert-amyl methyl ether 430.82
    2,5,8-trioxanonane 686.1
    1-hexene 450.07
    2-isopropoxyethanol 795.28
    2,2,2-trifluoroethanol 645.5
    methyl butyrate 598.67

    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