4-Mercaptophenol

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  • Identifiers

    CAS number
    637-89-8

    Molecular formula
    C6H6OS

    SMILES
    C1=CC(=CC=C1O)S

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Meaty 80.04%
    Sulfurous 71.87%
    Phenolic 69.91%
    Burnt 62.62%
    Roasted 62.36%
    Smoky 56.92%
    Savory 42.92%
    Beefy 41.82%
    Medicinal 40.07%
    Coffee 39.14%

     

    Flavor
    Phenolic 55.9%
    Meaty 41.72%
    Sulfurous 37.93%
    Garlic 34.6%
    Mild 32.7%
    Onion 32.29%
    Medicinal 30.65%
    Sulfury 28.32%
    Coffee 27.91%
    Phenol 27.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    10.34 (weak base)

    Molecular weight
    126.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point

    • 103.88 ˚C est.

  • Synonyms

    • 4-Mercaptophenol
    • 4-Hydroxythiophenol
    • 637-89-8
    • 4-Hydroxybenzenethiol
    • p-Mercaptophenol
    • Phenol, 4-mercapto-
    • Monothiohydroquinone
    • Phenol, p-mercapto-
    • Hydroquinone, monothio-
    • TAL4TS4AC3
    • NSC-46192
    • DTXSID2073223
    • RefChem:524402
    • DTXCID0044072
    • 211-307-6
    • 4-Sulfanylphenol
    • p-Hydroxythiophenol
    • Thiohydroquinone
    • 4-Hydroxy Thiophenol
    • USAF B-57
    • p-hydroxybenzenethiol
    • MFCD00004850
    • NSC 46192
    • 4-mercapto-phenol
    • EINECS 211-307-6
    • BRN 2039306
    • AI3-32249
    • 4-mercapto phenol
    • p-hydroxy thiophenol
    • 4-hydroxy-thiophenol
    • 4-Sulfanylphenol #
    • para-hydroxy thiophenol
    • UNII-TAL4TS4AC3
    • 4-Mercaptophenol, 97%
    • WLN: L6V DYJ DUS
    • SCHEMBL62871
    • SCHEMBL750982
    • SCHEMBL5708188
    • BXAVKNRWVKUTLY-UHFFFAOYSA-
    • NSC46192
    • BBL100598
    • STL554392
    • AKOS005254768
    • FH39733
    • PS-5184
    • 4-Mercaptophenol, technical grade, 90%
    • AC-10071
    • DB-054547
    • H0662
    • NS00035569
    • EN300-44305
    • S10242
    • 4-Mercaptophenol, Vetec(TM) reagent grade, 89%
    • F353379
    • F0001-1734
    • InChI=1/C6H6OS/c7-5-1-3-6(8)4-2-5/h1-4,7-8H
    • HTU
    • 637-89-8

  • Applications

    4-Mercaptophenol (CAS 637-89-8) is primarily used as an organic building block and intermediate in chemical synthesis, enabling routes to sulfur-containing dyes, polymers and crosslinkers. It functions as a functional monomer or coupling component in polymer and adhesive formulations, often participating in thiol-ene or thiol-epoxy chemistries. The thiol group enables robust surface attachment to metals, making it suitable for surface modification of gold- and other metal-based electrodes, sensors and coatings via self-assembled monolayers. It can act as a ligand or precursor in coordination chemistry and materials science for functionalized surfaces and catalysts. In coatings and inks, it introduces reactive sites for curing or bonding to improve adhesion and durability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 439.51
    methanol 460.38
    isopropanol 308.43
    water 14.38
    ethyl acetate 150.25
    n-propanol 319.24
    acetone 386.87
    n-butanol 217.86
    acetonitrile 151.5
    DMF 735.05
    toluene 9.17
    isobutanol 192.41
    1,4-dioxane 260.93
    methyl acetate 262.79
    THF 450.92
    2-butanone 330.55
    n-pentanol 175.06
    sec-butanol 265.79
    n-hexane 3.88
    ethylene glycol 221.38
    NMP 180.0
    cyclohexane 1.5
    DMSO 457.08
    n-butyl acetate 87.66
    n-octanol 93.39
    chloroform 97.34
    n-propyl acetate 125.14
    acetic acid 173.35
    dichloromethane 77.49
    cyclohexanone 128.57
    propylene glycol 293.56
    isopropyl acetate 86.56
    DMAc 536.16
    2-ethoxyethanol 407.31
    isopentanol 156.68
    n-heptane 5.73
    ethyl formate 143.86
    1,2-dichloroethane 66.35
    n-hexanol 164.04
    2-methoxyethanol 589.41
    isobutyl acetate 78.51
    tetrachloromethane 23.44
    n-pentyl acetate 70.61
    transcutol 382.91
    n-heptanol 100.99
    ethylbenzene 19.78
    MIBK 105.97
    2-propoxyethanol 352.97
    tert-butanol 283.47
    MTBE 153.82
    2-butoxyethanol 214.96
    propionic acid 186.32
    o-xylene 15.15
    formic acid 145.33
    diethyl ether 89.97
    m-xylene 15.85
    p-xylene 27.11
    chlorobenzene 21.57
    dimethyl carbonate 101.68
    n-octane 4.13
    formamide 272.62
    cyclopentanone 249.21
    2-pentanone 175.6
    anisole 112.87
    cyclopentyl methyl ether 93.06
    gamma-butyrolactone 225.75
    1-methoxy-2-propanol 425.08
    pyridine 87.43
    3-pentanone 102.69
    furfural 200.52
    n-dodecane 5.03
    diethylene glycol 369.93
    diisopropyl ether 24.85
    tert-amyl alcohol 248.37
    acetylacetone 176.15
    n-hexadecane 5.3
    acetophenone 91.73
    methyl propionate 163.25
    isopentyl acetate 84.89
    trichloroethylene 126.39
    n-nonanol 78.77
    cyclohexanol 74.76
    benzyl alcohol 101.19
    2-ethylhexanol 79.89
    isooctanol 79.62
    dipropyl ether 60.0
    1,2-dichlorobenzene 28.86
    ethyl lactate 98.78
    propylene carbonate 104.8
    n-methylformamide 373.33
    2-pentanol 130.78
    n-pentane 2.93
    1-propoxy-2-propanol 210.37
    1-methoxy-2-propyl acetate 122.75
    2-(2-methoxypropoxy) propanol 161.1
    mesitylene 13.14
    ε-caprolactone 116.79
    p-cymene 22.19
    epichlorohydrin 279.96
    1,1,1-trichloroethane 70.0
    2-aminoethanol 361.36
    morpholine-4-carbaldehyde 325.81
    sulfolane 220.8
    2,2,4-trimethylpentane 4.66
    2-methyltetrahydrofuran 195.32
    n-hexyl acetate 97.68
    isooctane 4.4
    2-(2-butoxyethoxy)ethanol 221.54
    sec-butyl acetate 75.52
    tert-butyl acetate 105.83
    decalin 3.94
    glycerin 327.75
    diglyme 368.22
    acrylic acid 148.51
    isopropyl myristate 42.03
    n-butyric acid 156.3
    acetyl acetate 67.88
    di(2-ethylhexyl) phthalate 44.55
    ethyl propionate 99.31
    nitromethane 380.41
    1,2-diethoxyethane 109.33
    benzonitrile 64.32
    trioctyl phosphate 40.75
    1-bromopropane 31.17
    gamma-valerolactone 299.73
    n-decanol 62.02
    triethyl phosphate 42.81
    4-methyl-2-pentanol 78.26
    propionitrile 136.2
    vinylene carbonate 92.73
    1,1,2-trichlorotrifluoroethane 246.49
    DMS 72.44
    cumene 22.18
    2-octanol 72.06
    2-hexanone 157.04
    octyl acetate 59.75
    limonene 25.38
    1,2-dimethoxyethane 437.62
    ethyl orthosilicate 42.6
    tributyl phosphate 40.87
    diacetone alcohol 213.27
    N,N-dimethylaniline 80.52
    acrylonitrile 174.26
    aniline 44.64
    1,3-propanediol 369.49
    bromobenzene 15.18
    dibromomethane 38.05
    1,1,2,2-tetrachloroethane 108.94
    2-methyl-cyclohexyl acetate 58.66
    tetrabutyl urea 57.72
    diisobutyl methanol 47.95
    2-phenylethanol 112.73
    styrene 19.43
    dioctyl adipate 57.04
    dimethyl sulfate 156.12
    ethyl butyrate 71.99
    methyl lactate 155.34
    butyl lactate 77.84
    diethyl carbonate 47.55
    propanediol butyl ether 198.26
    triethyl orthoformate 50.43
    p-tert-butyltoluene 23.64
    methyl 4-tert-butylbenzoate 96.15
    morpholine 304.28
    tert-butylamine 117.98
    n-dodecanol 47.04
    dimethoxymethane 330.26
    ethylene carbonate 72.34
    cyrene 132.61
    2-ethoxyethyl acetate 103.31
    2-ethylhexyl acetate 58.73
    1,2,4-trichlorobenzene 36.13
    4-methylpyridine 84.78
    dibutyl ether 58.5
    2,6-dimethyl-4-heptanol 47.95
    DEF 169.68
    dimethyl isosorbide 188.67
    tetrachloroethylene 71.32
    eugenol 135.65
    triacetin 86.03
    span 80 122.72
    1,4-butanediol 186.74
    1,1-dichloroethane 78.47
    2-methyl-1-pentanol 131.28
    methyl formate 252.78
    2-methyl-1-butanol 154.86
    n-decane 7.26
    butyronitrile 106.49
    3,7-dimethyl-1-octanol 78.74
    1-chlorooctane 33.35
    1-chlorotetradecane 14.36
    n-nonane 6.66
    undecane 5.86
    tert-butylcyclohexane 6.62
    cyclooctane 1.02
    cyclopentanol 128.07
    tetrahydropyran 133.34
    tert-amyl methyl ether 101.51
    2,5,8-trioxanonane 253.03
    1-hexene 23.62
    2-isopropoxyethanol 268.49
    2,2,2-trifluoroethanol 112.61
    methyl butyrate 138.25

    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