4-(Methylthio)phenol

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  • Identifiers

    CAS number
    1073-72-9

    Molecular formula
    C7H8OS

    SMILES
    CSC1=CC=C(C=C1)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Meaty 75.39%
    Sulfurous 73.48%
    Roasted 65.25%
    Smoky 62.86%
    Phenolic 60.74%
    Burnt 59.71%
    Coffee 48.08%
    Savory 45.58%
    Spicy 42.87%
    Onion 41.15%

     

    Flavor
    Sulfurous 62.49%
    Meaty 59.46%
    Onion 55.3%
    Garlic 52.39%
    Phenolic 47.6%
    Sulfury 41.26%
    Roasted 38.22%
    Coffee 33.07%
    Smoke 33.01%
    Medicinal 32.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.74 (weak base)

    Molecular weight
    140.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    267°C

    Flash point

    • 121.01 ˚C est.

  • Synonyms

    • 4-(Methylthio)phenol
    • 1073-72-9
    • 4-(Methylmercapto)phenol
    • Phenol, 4-(methylthio)-
    • p-(Methylthio)phenol
    • 4-Methylmercaptophenol
    • p-Hydroxythioanisole
    • PHENOL, p-(METHYLTHIO)-
    • p-Hydroxyphenyl methyl sulfide
    • 4-Hydroxyphenyl methyl sulfide
    • 9T83QI0Z1L
    • NSC-75840
    • DTXSID3051547
    • RefChem:97515
    • DTXCID4030099
    • 214-031-4
    • 4-methylsulfanylphenol
    • 4-(Methylsulfanyl)phenol
    • 4-Hydroxythioanisole
    • MFCD00002351
    • NSC 75840
    • Methyl 4-hydroxyphenyl sulfide
    • Phenol, p-methylmercapto-
    • CCRIS 5837
    • EINECS 214-031-4
    • BRN 2041507
    • UNII-9T83QI0Z1L
    • AI3-28073
    • p-methyl thiophenol
    • NSC75840
    • 4-(methylthio) phenol
    • 4-methylmercapto-phenol
    • 4-methylsulfanyl phenol
    • 4-methylsulfanyl-phenol
    • para-(methylthio)phenol
    • phenol, 4-methylthio-
    • 4-(Methylsulfanyl)phenol #
    • SCHEMBL275952
    • SCHEMBL543312
    • SCHEMBL6486360
    • SCHEMBL7359342
    • 4-(METHYLSULFENYL)PHENOL
    • METHYLMERCAPTOPHENOL, 4-
    • 4-(Methylmercapto)phenol, 98%
    • CHEBI:38862
    • BBL104214
    • SBB071908
    • STL388046
    • AKOS000121186
    • CS-W001072
    • AC-10935
    • BP-12495
    • MS-20081
    • DB-040752
    • M0441
    • NS00023456
    • ST45027190
    • EN300-21190
    • 4-(Methylmercapto)phenol; 4-Hydroxythioanisole
    • H10762
    • F003883
    • Q27118001
    • 1-HYDROXY,4-METHYLTHIO-BENZENE (4-METHYLTHIO-PHENOL)
    • InChI=1/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H
    • 1073-72-9

  • Applications

    4-(Methylthio)phenol (CAS 1073-72-9) is primarily used as an intermediate in the synthesis of sulfur-containing aryl compounds. In fragrance and personal care, it may serve as a fragrance ingredient or precursor to other sulfur-containing odorants. In coatings and inks, it can be used as a building block for specialty sulfur-containing derivatives and related additives for coating formulations. In industrial manufacturing, it is evaluated as an intermediate for the production of dyes, pigments and other related specialty chemicals. In polymers/plastics, it may be used as a starting material to prepare sulfur-containing monomers or functional additives for polymer systems. In pharmaceuticals and agrochemicals, it is commonly evaluated as an intermediate in the synthesis of related compounds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1598.09
    methanol 735.89
    isopropanol 886.58
    water 1.45
    ethyl acetate 1872.51
    n-propanol 1034.66
    acetone 2579.37
    n-butanol 801.41
    acetonitrile 1989.78
    DMF 1513.81
    toluene 178.88
    isobutanol 543.64
    1,4-dioxane 3355.08
    methyl acetate 1725.7
    THF 3471.12
    2-butanone 1723.17
    n-pentanol 413.32
    sec-butanol 613.7
    n-hexane 14.45
    ethylene glycol 153.89
    NMP 824.34
    cyclohexane 52.52
    DMSO 1830.57
    n-butyl acetate 859.74
    n-octanol 193.57
    chloroform 988.36
    n-propyl acetate 725.57
    acetic acid 882.26
    dichloromethane 1748.47
    cyclohexanone 1590.6
    propylene glycol 230.51
    isopropyl acetate 604.3
    DMAc 769.82
    2-ethoxyethanol 721.27
    isopentanol 484.26
    n-heptane 53.64
    ethyl formate 1162.67
    1,2-dichloroethane 1110.88
    n-hexanol 495.9
    2-methoxyethanol 1337.32
    isobutyl acetate 271.3
    tetrachloromethane 120.04
    n-pentyl acetate 334.92
    transcutol 2066.78
    n-heptanol 214.51
    ethylbenzene 81.95
    MIBK 419.46
    2-propoxyethanol 827.5
    tert-butanol 769.02
    MTBE 667.05
    2-butoxyethanol 378.49
    propionic acid 718.68
    o-xylene 103.88
    formic acid 245.2
    diethyl ether 1175.78
    m-xylene 110.09
    p-xylene 106.36
    chlorobenzene 337.46
    dimethyl carbonate 324.71
    n-octane 17.34
    formamide 881.33
    cyclopentanone 2207.01
    2-pentanone 1280.92
    anisole 357.46
    cyclopentyl methyl ether 817.39
    gamma-butyrolactone 2495.14
    1-methoxy-2-propanol 761.88
    pyridine 1328.56
    3-pentanone 718.26
    furfural 1196.95
    n-dodecane 16.2
    diethylene glycol 489.16
    diisopropyl ether 176.38
    tert-amyl alcohol 505.26
    acetylacetone 1138.95
    n-hexadecane 18.54
    acetophenone 292.64
    methyl propionate 1045.85
    isopentyl acetate 498.33
    trichloroethylene 1674.49
    n-nonanol 164.45
    cyclohexanol 456.12
    benzyl alcohol 242.56
    2-ethylhexanol 240.92
    isooctanol 146.27
    dipropyl ether 506.42
    1,2-dichlorobenzene 252.17
    ethyl lactate 163.36
    propylene carbonate 861.2
    n-methylformamide 1280.28
    2-pentanol 416.61
    n-pentane 25.12
    1-propoxy-2-propanol 519.83
    1-methoxy-2-propyl acetate 622.25
    2-(2-methoxypropoxy) propanol 296.88
    mesitylene 65.75
    ε-caprolactone 1153.38
    p-cymene 86.63
    epichlorohydrin 2443.61
    1,1,1-trichloroethane 715.95
    2-aminoethanol 388.21
    morpholine-4-carbaldehyde 1342.54
    sulfolane 1341.99
    2,2,4-trimethylpentane 16.01
    2-methyltetrahydrofuran 2080.38
    n-hexyl acetate 385.63
    isooctane 15.71
    2-(2-butoxyethoxy)ethanol 499.95
    sec-butyl acetate 317.49
    tert-butyl acetate 495.98
    decalin 21.33
    glycerin 249.14
    diglyme 1073.79
    acrylic acid 453.63
    isopropyl myristate 141.43
    n-butyric acid 946.47
    acetyl acetate 676.37
    di(2-ethylhexyl) phthalate 112.0
    ethyl propionate 467.57
    nitromethane 2651.01
    1,2-diethoxyethane 982.48
    benzonitrile 391.67
    trioctyl phosphate 98.34
    1-bromopropane 436.03
    gamma-valerolactone 2274.64
    n-decanol 123.34
    triethyl phosphate 140.83
    4-methyl-2-pentanol 170.03
    propionitrile 910.2
    vinylene carbonate 718.8
    1,1,2-trichlorotrifluoroethane 609.58
    DMS 317.56
    cumene 58.27
    2-octanol 132.36
    2-hexanone 584.9
    octyl acetate 181.56
    limonene 151.19
    1,2-dimethoxyethane 1334.29
    ethyl orthosilicate 139.16
    tributyl phosphate 127.25
    diacetone alcohol 474.77
    N,N-dimethylaniline 154.32
    acrylonitrile 949.38
    aniline 332.47
    1,3-propanediol 667.55
    bromobenzene 284.73
    dibromomethane 740.25
    1,1,2,2-tetrachloroethane 886.5
    2-methyl-cyclohexyl acetate 250.62
    tetrabutyl urea 158.37
    diisobutyl methanol 132.74
    2-phenylethanol 269.72
    styrene 114.77
    dioctyl adipate 206.71
    dimethyl sulfate 371.92
    ethyl butyrate 561.55
    methyl lactate 234.3
    butyl lactate 197.58
    diethyl carbonate 301.15
    propanediol butyl ether 304.64
    triethyl orthoformate 273.11
    p-tert-butyltoluene 79.14
    methyl 4-tert-butylbenzoate 222.96
    morpholine 3051.35
    tert-butylamine 373.83
    n-dodecanol 94.83
    dimethoxymethane 1241.77
    ethylene carbonate 681.91
    cyrene 302.7
    2-ethoxyethyl acetate 580.14
    2-ethylhexyl acetate 372.7
    1,2,4-trichlorobenzene 298.27
    4-methylpyridine 872.49
    dibutyl ether 308.96
    2,6-dimethyl-4-heptanol 132.74
    DEF 886.55
    dimethyl isosorbide 551.36
    tetrachloroethylene 487.92
    eugenol 219.8
    triacetin 320.51
    span 80 266.39
    1,4-butanediol 196.52
    1,1-dichloroethane 967.28
    2-methyl-1-pentanol 264.13
    methyl formate 1015.13
    2-methyl-1-butanol 433.19
    n-decane 26.28
    butyronitrile 983.05
    3,7-dimethyl-1-octanol 160.74
    1-chlorooctane 110.99
    1-chlorotetradecane 46.41
    n-nonane 25.0
    undecane 20.06
    tert-butylcyclohexane 20.68
    cyclooctane 15.89
    cyclopentanol 659.43
    tetrahydropyran 2216.95
    tert-amyl methyl ether 357.14
    2,5,8-trioxanonane 649.28
    1-hexene 99.53
    2-isopropoxyethanol 405.95
    2,2,2-trifluoroethanol 254.71
    methyl butyrate 666.02

    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