4-Ethylbenzenethiol

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  • Identifiers

    CAS number
    4946-13-8

    Molecular formula
    C8H10S

    SMILES
    CCC1=CC=C(C=C1)S

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 85.74%
    Meaty 80.35%
    Roasted 72.19%
    Burnt 60.77%
    Smoky 59.29%
    Phenolic 55.02%
    Coffee 49.33%
    Onion 47.85%
    Savory 47.54%
    Garlic 45.24%

     

    Flavor
    Phenolic 55.26%
    Meaty 48.32%
    Medicinal 46.76%
    Sulfurous 46.61%
    Garlic 41.75%
    Onion 35.25%
    Phenol 34.98%
    Spicy 32.61%
    Smoke 31.86%
    Smoky 28.94%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.47 (neutral)

    Molecular weight
    138.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    214°C

    Flash point

    • 82.95 ˚C est.

  • Synonyms

    • 4-Ethylthiophenol
    • 4-ethylbenzenethiol
    • DTXSID40374550
    • RefChem:98892
    • DTXCID20325580
    • 670-930-5
    • WWQQPHUHTAZWDH-UHFFFAOYSA-N
    • 4946-13-8
    • 4-Ethyl thiophenol
    • 4-ethylbenzene-1-thiol
    • MFCD00040229
    • p-ethylphenylmercaptan
    • Benzenethiol, 4-ethyl-
    • p-ethylthiophenol
    • p-ethylphenyl mercaptan
    • 4-Ethylphenyl mercaptan
    • SCHEMBL186324
    • SCHEMBL1204080
    • SCHEMBL5887894
    • AKOS005206838
    • AS-75932
    • SY049444
    • DB-051629
    • CS-0296669
    • E0672
    • EN300-85718
    • H11883
    • F8882-1203
    • 4946-13-8

  • Applications

    4-Ethylbenzenethiol (CAS 4946-13-8) is used primarily as an odorant in fragrance formulations, where its aryl thiol moiety contributes a distinctive sulfur note. It serves as a chemical intermediate for the synthesis of other sulfur-containing aryl compounds, including aryl sulfides, and acts as a building block in dyes, pigments, and pharmaceutical or agrochemical chemistries. In coatings and inks, it may function as a reactive thiol component to enable crosslinking in epoxy or UV-curable systems. It can also serve as a precursor in pharmaceutical and other sulfur-containing syntheses, depending on regulatory and formulation constraints. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 290.67
    methanol 131.21
    isopropanol 173.25
    water 0.15
    ethyl acetate 423.19
    n-propanol 225.94
    acetone 376.29
    n-butanol 223.23
    acetonitrile 405.28
    DMF 308.45
    toluene 314.13
    isobutanol 130.04
    1,4-dioxane 892.49
    methyl acetate 345.73
    THF 681.23
    2-butanone 395.14
    n-pentanol 154.59
    sec-butanol 173.36
    n-hexane 42.99
    ethylene glycol 27.8
    NMP 206.15
    cyclohexane 89.61
    DMSO 329.5
    n-butyl acetate 481.13
    n-octanol 114.67
    chloroform 901.57
    n-propyl acetate 237.01
    acetic acid 173.96
    dichloromethane 917.43
    cyclohexanone 424.22
    propylene glycol 47.18
    isopropyl acetate 179.24
    DMAc 262.62
    2-ethoxyethanol 186.18
    isopentanol 158.63
    n-heptane 98.62
    ethyl formate 207.24
    1,2-dichloroethane 497.28
    n-hexanol 289.36
    2-methoxyethanol 240.07
    isobutyl acetate 145.2
    tetrachloromethane 174.89
    n-pentyl acetate 160.61
    transcutol 682.61
    n-heptanol 114.27
    ethylbenzene 129.46
    MIBK 144.47
    2-propoxyethanol 297.92
    tert-butanol 204.6
    MTBE 256.46
    2-butoxyethanol 157.83
    propionic acid 133.94
    o-xylene 128.56
    formic acid 31.24
    diethyl ether 463.89
    m-xylene 146.84
    p-xylene 159.86
    chlorobenzene 299.05
    dimethyl carbonate 98.07
    n-octane 30.44
    formamide 79.39
    cyclopentanone 396.65
    2-pentanone 310.89
    anisole 253.61
    cyclopentyl methyl ether 255.85
    gamma-butyrolactone 329.72
    1-methoxy-2-propanol 173.67
    pyridine 695.98
    3-pentanone 238.41
    furfural 314.3
    n-dodecane 22.42
    diethylene glycol 137.35
    diisopropyl ether 102.0
    tert-amyl alcohol 158.35
    acetylacetone 290.62
    n-hexadecane 25.67
    acetophenone 187.28
    methyl propionate 235.39
    isopentyl acetate 287.69
    trichloroethylene 815.07
    n-nonanol 102.83
    cyclohexanol 161.21
    benzyl alcohol 153.69
    2-ethylhexanol 175.43
    isooctanol 87.08
    dipropyl ether 366.01
    1,2-dichlorobenzene 213.65
    ethyl lactate 61.04
    propylene carbonate 196.13
    n-methylformamide 132.4
    2-pentanol 134.14
    n-pentane 48.34
    1-propoxy-2-propanol 229.25
    1-methoxy-2-propyl acetate 269.34
    2-(2-methoxypropoxy) propanol 174.75
    mesitylene 80.42
    ε-caprolactone 296.17
    p-cymene 104.23
    epichlorohydrin 460.18
    1,1,1-trichloroethane 466.03
    2-aminoethanol 71.26
    morpholine-4-carbaldehyde 342.86
    sulfolane 265.51
    2,2,4-trimethylpentane 20.17
    2-methyltetrahydrofuran 489.94
    n-hexyl acetate 193.53
    isooctane 19.63
    2-(2-butoxyethoxy)ethanol 227.42
    sec-butyl acetate 135.55
    tert-butyl acetate 187.38
    decalin 35.05
    glycerin 56.02
    diglyme 469.08
    acrylic acid 97.03
    isopropyl myristate 98.24
    n-butyric acid 223.29
    acetyl acetate 224.98
    di(2-ethylhexyl) phthalate 84.07
    ethyl propionate 168.65
    nitromethane 303.25
    1,2-diethoxyethane 467.41
    benzonitrile 240.65
    trioctyl phosphate 61.27
    1-bromopropane 380.42
    gamma-valerolactone 411.69
    n-decanol 80.59
    triethyl phosphate 89.51
    4-methyl-2-pentanol 75.43
    propionitrile 285.86
    vinylene carbonate 211.38
    1,1,2-trichlorotrifluoroethane 208.05
    DMS 150.46
    cumene 75.09
    2-octanol 75.41
    2-hexanone 252.1
    octyl acetate 117.21
    limonene 151.2
    1,2-dimethoxyethane 481.48
    ethyl orthosilicate 97.69
    tributyl phosphate 74.83
    diacetone alcohol 159.55
    N,N-dimethylaniline 138.79
    acrylonitrile 264.19
    aniline 214.55
    1,3-propanediol 118.93
    bromobenzene 358.13
    dibromomethane 674.84
    1,1,2,2-tetrachloroethane 484.95
    2-methyl-cyclohexyl acetate 162.72
    tetrabutyl urea 99.27
    diisobutyl methanol 104.23
    2-phenylethanol 191.38
    styrene 184.6
    dioctyl adipate 126.45
    dimethyl sulfate 108.87
    ethyl butyrate 279.47
    methyl lactate 66.05
    butyl lactate 82.96
    diethyl carbonate 165.98
    propanediol butyl ether 109.23
    triethyl orthoformate 166.8
    p-tert-butyltoluene 99.81
    methyl 4-tert-butylbenzoate 141.5
    morpholine 728.12
    tert-butylamine 147.04
    n-dodecanol 67.11
    dimethoxymethane 280.07
    ethylene carbonate 176.73
    cyrene 128.04
    2-ethoxyethyl acetate 230.2
    2-ethylhexyl acetate 248.89
    1,2,4-trichlorobenzene 233.03
    4-methylpyridine 511.75
    dibutyl ether 210.57
    2,6-dimethyl-4-heptanol 104.23
    DEF 243.88
    dimethyl isosorbide 286.03
    tetrachloroethylene 330.52
    eugenol 137.87
    triacetin 171.92
    span 80 148.86
    1,4-butanediol 46.1
    1,1-dichloroethane 468.62
    2-methyl-1-pentanol 121.95
    methyl formate 108.16
    2-methyl-1-butanol 142.59
    n-decane 36.1
    butyronitrile 314.54
    3,7-dimethyl-1-octanol 113.74
    1-chlorooctane 105.25
    1-chlorotetradecane 47.72
    n-nonane 37.38
    undecane 27.14
    tert-butylcyclohexane 31.66
    cyclooctane 33.59
    cyclopentanol 145.4
    tetrahydropyran 690.94
    tert-amyl methyl ether 169.64
    2,5,8-trioxanonane 340.26
    1-hexene 170.39
    2-isopropoxyethanol 138.17
    2,2,2-trifluoroethanol 43.26
    methyl butyrate 211.3

    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