4-(Methylsulfonyl)phenol

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  • Identifiers

    CAS number
    14763-60-1

    Molecular formula
    C7H8O3S

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 62.45%
    Burnt 39.36%
    Sulfurous 39.03%
    Roasted 38.34%
    Meaty 31.08%
    Savory 28.61%
    Cooked 28.13%
    Phenolic 23.86%
    Bitter 23.71%
    Nutty 21.91%

     

    Flavor
    Bitter 67.16%
    Nutty 28.39%
    Odorless 24.28%
    Nitrile 22.31%
    Bread crust 21.65%
    Taco 21.35%
    Roasted peanuts 21.17%
    Urine 20.96%
    Mild 20.6%
    Very strong 20.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    10.18 (weak base)

    Molecular weight
    172.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    394°C

    Flash point

    • 195.58 ˚C est.

  • Synonyms

    • 4-(Methylsulfonyl)phenol
    • 4-Hydroxyphenyl methyl sulfone
    • Phenol, p-(methylsulfonyl)-
    • p-(Methylsulfonyl)phenol
    • p-Hydroxyphenyl methyl sulfone
    • 4-(methanesulfonyl)phenol
    • UNII-F7BIF7ZQJ9
    • F7BIF7ZQJ9
    • P-(METHANESULFONYL)PHENOL
    • DTXSID80163763
    • BENZENE,1-HYDROXY,4-METHYLSULFONYL (PHENOL,4-METHYLSULFONYL)
    • RefChem:97500
    • DTXCID6086254
    • 632-596-9
    • InChI=1/C7H8O3S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5,8H,1H
    • 14763-60-1
    • 4-methylsulfonylphenol
    • phenol, 4-(methylsulfonyl)-
    • 4-methanesulfonylphenol
    • 4-methylsulphonylphenol
    • 4-Methanesulfonyl-phenol
    • MFCD00047806
    • 4-(Methylsulfonyl)-phenol
    • CHEMBL66861
    • 4-methylsulfonyl phenol
    • 4-(methylsulphonyl)phenol
    • phenol, 4-mesyl-
    • p-methylsulphonylphenol
    • 4-methylsulfonyl-phenol
    • 4-methanesulphonylphenol
    • p-methyl sulfonyl phenol
    • 4-(methylsulfonyl) phenol
    • SCHEMBL1535
    • SCHEMBL517832
    • SCHEMBL3591711
    • BDBM50266956
    • SBB049566
    • STK505595
    • AKOS005171779
    • AB02067
    • AC-1241
    • CS-W004825
    • EBC-152134
    • FM36053
    • PS-3171
    • BP-10814
    • SY007820
    • DB-008353
    • H1367
    • ST50405748
    • 4-(Methylsulfonyl)phenol, analytical standard
    • EN300-23056
    • O11094
    • 763M601
    • AE-848/33833060
    • F023361
    • Q27277760
    • Z147646800
    • 14763-60-1

  • Applications

    4-(Methylsulfonyl)phenol is commonly used as an organic synthesis intermediate to access sulfone-containing aryl compounds. In industry, it serves as a building block for specialty chemicals and as a precursor in the synthesis of pharmaceutical and agrochemical intermediates. It can also function in materials applications to introduce sulfone functionalities in polymers and coatings, and in the dye and pigment sector as a precursor to sulfone-bearing chromophores.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 105.19
    methanol 310.17
    isopropanol 45.48
    water 13.71
    ethyl acetate 78.33
    n-propanol 47.75
    acetone 705.66
    n-butanol 33.7
    acetonitrile 304.8
    DMF 718.77
    toluene 3.4
    isobutanol 24.24
    1,4-dioxane 889.8
    methyl acetate 224.81
    THF 582.59
    2-butanone 249.14
    n-pentanol 22.87
    sec-butanol 32.64
    n-hexane 0.82
    ethylene glycol 58.42
    NMP 684.35
    cyclohexane 3.49
    DMSO 383.77
    n-butyl acetate 42.82
    n-octanol 22.87
    chloroform 8.43
    n-propyl acetate 66.62
    acetic acid 169.91
    dichloromethane 39.64
    cyclohexanone 288.7
    propylene glycol 43.89
    isopropyl acetate 40.46
    DMAc 479.3
    2-ethoxyethanol 134.06
    isopentanol 22.99
    n-heptane 2.32
    ethyl formate 119.93
    1,2-dichloroethane 47.23
    n-hexanol 22.19
    2-methoxyethanol 275.93
    isobutyl acetate 25.22
    tetrachloromethane 1.46
    n-pentyl acetate 34.21
    transcutol 329.29
    n-heptanol 15.64
    ethylbenzene 4.63
    MIBK 42.02
    2-propoxyethanol 93.25
    tert-butanol 48.02
    MTBE 40.1
    2-butoxyethanol 52.69
    propionic acid 72.14
    o-xylene 5.81
    formic acid 162.7
    diethyl ether 73.69
    m-xylene 3.04
    p-xylene 8.61
    chlorobenzene 16.25
    dimethyl carbonate 61.16
    n-octane 1.14
    formamide 577.91
    cyclopentanone 510.08
    2-pentanone 106.34
    anisole 64.59
    cyclopentyl methyl ether 75.2
    gamma-butyrolactone 536.15
    1-methoxy-2-propanol 114.55
    pyridine 150.68
    3-pentanone 83.58
    furfural 419.3
    n-dodecane 1.48
    diethylene glycol 116.26
    diisopropyl ether 10.14
    tert-amyl alcohol 35.01
    acetylacetone 198.71
    n-hexadecane 1.7
    acetophenone 77.94
    methyl propionate 80.48
    isopentyl acetate 31.65
    trichloroethylene 55.9
    n-nonanol 22.39
    cyclohexanol 35.8
    benzyl alcohol 41.36
    2-ethylhexanol 14.72
    isooctanol 12.28
    dipropyl ether 30.21
    1,2-dichlorobenzene 18.12
    ethyl lactate 35.69
    propylene carbonate 161.94
    n-methylformamide 367.95
    2-pentanol 16.51
    n-pentane 1.04
    1-propoxy-2-propanol 48.83
    1-methoxy-2-propyl acetate 62.72
    2-(2-methoxypropoxy) propanol 77.61
    mesitylene 3.12
    ε-caprolactone 205.51
    p-cymene 7.84
    epichlorohydrin 347.98
    1,1,1-trichloroethane 12.92
    2-aminoethanol 66.24
    morpholine-4-carbaldehyde 672.13
    sulfolane 422.14
    2,2,4-trimethylpentane 0.68
    2-methyltetrahydrofuran 213.5
    n-hexyl acetate 55.26
    isooctane 0.5
    2-(2-butoxyethoxy)ethanol 110.29
    sec-butyl acetate 32.15
    tert-butyl acetate 49.11
    decalin 1.53
    glycerin 91.29
    diglyme 275.7
    acrylic acid 89.49
    isopropyl myristate 23.0
    n-butyric acid 52.53
    acetyl acetate 65.75
    di(2-ethylhexyl) phthalate 25.23
    ethyl propionate 48.52
    nitromethane 801.19
    1,2-diethoxyethane 106.92
    benzonitrile 66.07
    trioctyl phosphate 18.59
    1-bromopropane 8.55
    gamma-valerolactone 687.9
    n-decanol 18.08
    triethyl phosphate 28.27
    4-methyl-2-pentanol 9.64
    propionitrile 79.7
    vinylene carbonate 154.87
    1,1,2-trichlorotrifluoroethane 129.37
    DMS 67.1
    cumene 4.4
    2-octanol 11.62
    2-hexanone 74.88
    octyl acetate 31.61
    limonene 12.95
    1,2-dimethoxyethane 364.57
    ethyl orthosilicate 24.17
    tributyl phosphate 23.08
    diacetone alcohol 73.06
    N,N-dimethylaniline 33.64
    acrylonitrile 134.45
    aniline 25.94
    1,3-propanediol 83.58
    bromobenzene 8.08
    dibromomethane 12.05
    1,1,2,2-tetrachloroethane 32.84
    2-methyl-cyclohexyl acetate 40.07
    tetrabutyl urea 40.23
    diisobutyl methanol 10.71
    2-phenylethanol 36.16
    styrene 6.74
    dioctyl adipate 45.62
    dimethyl sulfate 108.73
    ethyl butyrate 44.41
    methyl lactate 54.92
    butyl lactate 30.88
    diethyl carbonate 36.13
    propanediol butyl ether 56.74
    triethyl orthoformate 34.02
    p-tert-butyltoluene 7.08
    methyl 4-tert-butylbenzoate 51.3
    morpholine 516.76
    tert-butylamine 20.11
    n-dodecanol 13.97
    dimethoxymethane 271.81
    ethylene carbonate 121.1
    cyrene 126.38
    2-ethoxyethyl acetate 80.78
    2-ethylhexyl acetate 25.82
    1,2,4-trichlorobenzene 27.29
    4-methylpyridine 88.54
    dibutyl ether 31.08
    2,6-dimethyl-4-heptanol 10.71
    DEF 141.76
    dimethyl isosorbide 161.62
    tetrachloroethylene 18.58
    eugenol 59.57
    triacetin 87.8
    span 80 53.93
    1,4-butanediol 33.21
    1,1-dichloroethane 16.69
    2-methyl-1-pentanol 17.12
    methyl formate 357.61
    2-methyl-1-butanol 20.77
    n-decane 2.21
    butyronitrile 61.17
    3,7-dimethyl-1-octanol 18.47
    1-chlorooctane 8.96
    1-chlorotetradecane 4.81
    n-nonane 1.83
    undecane 1.8
    tert-butylcyclohexane 1.06
    cyclooctane 0.92
    cyclopentanol 66.49
    tetrahydropyran 230.54
    tert-amyl methyl ether 28.72
    2,5,8-trioxanonane 190.74
    1-hexene 3.85
    2-isopropoxyethanol 71.17
    2,2,2-trifluoroethanol 88.66
    methyl butyrate 77.73

    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