Phenol, o-mercapto-(6CI,7CI,8CI)

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  • Identifiers

    CAS number
    1121-24-0

    Molecular formula
    C6H6OS

    SMILES
    C1=CC=C(C(=C1)O)S

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Meaty 76.87%
    Sulfurous 70.0%
    Phenolic 64.67%
    Burnt 62.28%
    Smoky 60.82%
    Roasted 56.63%
    Savory 43.39%
    Beefy 39.09%
    Medicinal 36.95%
    Garlic 33.94%

     

    Flavor
    Phenolic 58.18%
    Meaty 54.06%
    Sulfurous 52.81%
    Garlic 41.95%
    Onion 40.72%
    Egg 33.77%
    Sulfury 32.73%
    Medicinal 32.7%
    Mild 32.31%
    Coffee 31.56%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.55 (weak base)

    Molecular weight
    126.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    227°C

    Flash point

    • 92.95 ˚C est.

  • Synonyms

    • 2-Hydroxythiophenol
    • 2-Mercaptophenol
    • 1121-24-0
    • Phenol, 2-mercapto-
    • o-Mercaptophenol
    • o-Hydroxythiophenol
    • o-Hydroxybenzenothiol
    • 2-Hydroxybenzenothiol
    • EINECS 214-326-8
    • DTXSID80149906
    • Phenol, o-mercapto-(6CI,7CI,8CI)
    • RefChem:861377
    • DTXCID1072397
    • 214-326-8
    • 2-Sulfanylphenol
    • 2-Hydroxybenzenethiol
    • mercaptophenol
    • MFCD00040447
    • 2-Hydroxy thiophenol
    • Phenol, mercapto-
    • Phenol, o-mercapto-
    • Phenol, o-mercapto- (6CI,7CI,8CI)
    • 2-Sulphanylphenol
    • 2osm
    • 2-mercapto-phenol
    • 2-Mercaptophenol; 2-Hydroxybenzenethiol; 2-Sulfanylphenol; o-Hydroxybenzenethiol; o-Hydroxythiophenol; o-Mercaptophenol
    • HTS
    • 2-hydroxybenzenthiol
    • 2-hydroxy-thiophenol
    • 2-Sulfanylphenol #
    • 2-Mercaptophenol, 95%
    • SCHEMBL63008
    • SCHEMBL202095
    • SCHEMBL811157
    • CHEMBL1233444
    • SCHEMBL10530415
    • SCHEMBL11881527
    • SCHEMBL30194125
    • VMKYTRPNOVFCGZ-UHFFFAOYSA-
    • BAA12124
    • 2-Hydroxythiophenol, 2-Sulfanylphenol
    • AKOS005207293
    • PS-5453
    • AC-13757
    • BP-10909
    • DB-003275
    • CS-0010969
    • H1177
    • NS00023602
    • EN300-54727
    • F008733
    • Q27461234
    • F8880-2374
    • InChI=1/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
    • 1121-24-0

  • Applications

    Phenol, o-mercapto-(6CI,7CI,8CI) (CAS 1121-24-0) is a versatile building block used across industries. It is primarily employed as an intermediate in chemical synthesis for pharmaceuticals and sulfur-containing organic compounds, as a precursor for thiol-ene polymerization and sulfur-containing polymers, and as a stabilizer or antioxidant in polymer formulations. In coatings, inks, and adhesives, it can serve as a thiol-functional additive to promote crosslinking and improve adhesion. In surface chemistry and electronics, the thiol group enables metal surface treatment and self-assembled monolayer (SAM) formation. In fragrance applications, its sulfur-containing character can contribute to odor profiles in trace usage. In research and development, it is commonly used as a sulfur source and building block for organosulfur chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 203.04
    methanol 276.7
    isopropanol 125.13
    water 5.69
    ethyl acetate 64.89
    n-propanol 145.22
    acetone 63.3
    n-butanol 118.46
    acetonitrile 50.5
    DMF 153.29
    toluene 7.55
    isobutanol 80.06
    1,4-dioxane 200.37
    methyl acetate 84.64
    THF 244.13
    2-butanone 72.08
    n-pentanol 110.28
    sec-butanol 98.18
    n-hexane 3.75
    ethylene glycol 64.83
    NMP 88.01
    cyclohexane 2.21
    DMSO 190.36
    n-butyl acetate 64.46
    n-octanol 49.36
    chloroform 46.41
    n-propyl acetate 66.77
    acetic acid 147.57
    dichloromethane 34.13
    cyclohexanone 65.94
    propylene glycol 48.6
    isopropyl acetate 47.57
    DMAc 133.5
    2-ethoxyethanol 196.61
    isopentanol 91.12
    n-heptane 7.12
    ethyl formate 51.23
    1,2-dichloroethane 28.81
    n-hexanol 92.53
    2-methoxyethanol 260.81
    isobutyl acetate 43.32
    tetrachloromethane 13.25
    n-pentyl acetate 53.63
    transcutol 570.4
    n-heptanol 56.74
    ethylbenzene 7.35
    MIBK 60.64
    2-propoxyethanol 174.0
    tert-butanol 151.28
    MTBE 86.29
    2-butoxyethanol 125.43
    propionic acid 91.73
    o-xylene 10.18
    formic acid 127.42
    diethyl ether 95.35
    m-xylene 10.97
    p-xylene 9.81
    chlorobenzene 13.59
    dimethyl carbonate 30.24
    n-octane 3.34
    formamide 202.77
    cyclopentanone 88.33
    2-pentanone 64.97
    anisole 44.16
    cyclopentyl methyl ether 69.08
    gamma-butyrolactone 115.8
    1-methoxy-2-propanol 175.19
    pyridine 53.87
    3-pentanone 37.33
    furfural 109.12
    n-dodecane 3.17
    diethylene glycol 159.23
    diisopropyl ether 28.62
    tert-amyl alcohol 119.9
    acetylacetone 74.16
    n-hexadecane 3.42
    acetophenone 40.56
    methyl propionate 50.66
    isopentyl acetate 54.1
    trichloroethylene 57.54
    n-nonanol 45.5
    cyclohexanol 48.29
    benzyl alcohol 42.3
    2-ethylhexanol 47.78
    isooctanol 46.0
    dipropyl ether 55.87
    1,2-dichlorobenzene 15.74
    ethyl lactate 42.48
    propylene carbonate 60.33
    n-methylformamide 115.0
    2-pentanol 78.81
    n-pentane 4.27
    1-propoxy-2-propanol 118.76
    1-methoxy-2-propyl acetate 77.85
    2-(2-methoxypropoxy) propanol 115.68
    mesitylene 9.35
    ε-caprolactone 80.05
    p-cymene 13.05
    epichlorohydrin 124.61
    1,1,1-trichloroethane 27.16
    2-aminoethanol 123.33
    morpholine-4-carbaldehyde 176.08
    sulfolane 126.97
    2,2,4-trimethylpentane 4.22
    2-methyltetrahydrofuran 117.87
    n-hexyl acetate 66.1
    isooctane 4.59
    2-(2-butoxyethoxy)ethanol 183.63
    sec-butyl acetate 44.34
    tert-butyl acetate 73.09
    decalin 2.82
    glycerin 98.67
    diglyme 283.82
    acrylic acid 77.32
    isopropyl myristate 32.06
    n-butyric acid 96.28
    acetyl acetate 37.9
    di(2-ethylhexyl) phthalate 29.86
    ethyl propionate 43.15
    nitromethane 183.23
    1,2-diethoxyethane 144.81
    benzonitrile 30.35
    trioctyl phosphate 25.34
    1-bromopropane 18.29
    gamma-valerolactone 154.05
    n-decanol 34.45
    triethyl phosphate 28.17
    4-methyl-2-pentanol 52.83
    propionitrile 44.56
    vinylene carbonate 53.13
    1,1,2-trichlorotrifluoroethane 113.06
    DMS 47.37
    cumene 9.69
    2-octanol 37.43
    2-hexanone 68.85
    octyl acetate 38.97
    limonene 19.74
    1,2-dimethoxyethane 213.48
    ethyl orthosilicate 31.31
    tributyl phosphate 29.88
    diacetone alcohol 116.36
    N,N-dimethylaniline 34.9
    acrylonitrile 51.68
    aniline 27.41
    1,3-propanediol 152.91
    bromobenzene 8.33
    dibromomethane 20.54
    1,1,2,2-tetrachloroethane 47.44
    2-methyl-cyclohexyl acetate 43.02
    tetrabutyl urea 37.29
    diisobutyl methanol 37.72
    2-phenylethanol 52.29
    styrene 8.01
    dioctyl adipate 42.55
    dimethyl sulfate 49.89
    ethyl butyrate 50.1
    methyl lactate 49.53
    butyl lactate 52.65
    diethyl carbonate 32.16
    propanediol butyl ether 100.29
    triethyl orthoformate 41.47
    p-tert-butyltoluene 14.22
    methyl 4-tert-butylbenzoate 56.04
    morpholine 200.68
    tert-butylamine 77.66
    n-dodecanol 26.5
    dimethoxymethane 138.57
    ethylene carbonate 44.04
    cyrene 83.73
    2-ethoxyethyl acetate 87.31
    2-ethylhexyl acetate 39.78
    1,2,4-trichlorobenzene 22.7
    4-methylpyridine 39.76
    dibutyl ether 48.74
    2,6-dimethyl-4-heptanol 37.72
    DEF 72.36
    dimethyl isosorbide 146.38
    tetrachloroethylene 41.06
    eugenol 75.87
    triacetin 74.22
    span 80 86.66
    1,4-butanediol 70.31
    1,1-dichloroethane 25.74
    2-methyl-1-pentanol 86.52
    methyl formate 69.39
    2-methyl-1-butanol 81.13
    n-decane 4.93
    butyronitrile 49.4
    3,7-dimethyl-1-octanol 46.18
    1-chlorooctane 19.1
    1-chlorotetradecane 8.63
    n-nonane 4.38
    undecane 3.86
    tert-butylcyclohexane 4.42
    cyclooctane 1.4
    cyclopentanol 65.75
    tetrahydropyran 103.36
    tert-amyl methyl ether 64.96
    2,5,8-trioxanonane 207.33
    1-hexene 15.83
    2-isopropoxyethanol 135.94
    2,2,2-trifluoroethanol 63.37
    methyl butyrate 58.99

    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