2-(Ethylthio)phenol

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  • Identifiers

    CAS number
    29549-60-8

    Molecular formula
    C8H10OS

    SMILES
    CCSC1=CC=CC=C1O

  • Odor profile

    Fragrance
    Meaty 77.72%
    Sulfurous 65.11%
    Roasted 62.56%
    Burnt 58.2%
    Smoky 57.15%
    Savory 46.78%
    Phenolic 45.6%
    Coffee 41.52%
    Beefy 39.08%
    Onion 35.1%

     

    Flavor
    Meaty 67.2%
    Sulfurous 66.08%
    Onion 57.61%
    Garlic 50.65%
    Sulfury 48.27%
    Roasted 45.01%
    Phenolic 37.79%
    Coffee 35.4%
    Metallic 30.49%
    Fishy 30.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.23 (weak base)

    Molecular weight
    154.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    255°C

    Flash point

    • 117.96 ˚C est.

  • Synonyms

    • 2-(Ethylthio)phenol
    • 2-(Ethylsulfanyl)phenol
    • 29549-60-8
    • Phenol, 2-(ethylthio)-
    • 2-ethylsulfanylphenol
    • Phenol, o-(ethylthio)-
    • 9JP4N96F24
    • EINECS 249-690-7
    • DTXSID5067479
    • ortho-(ethylthio)phenol
    • 2-(Ethylsulfanyl)phenol #
    • UNII-9JP4N96F24
    • SCHEMBL1128730
    • DTXCID3038016
    • EBA54960
    • AKOS011274318
    • AT20889
    • CS-0217605
    • NS00028725
    • EN300-79236
    • Z905204460
    • 249-690-7

  • Applications

    2-(Ethylthio)phenol (CAS 29549-60-8) is used primarily as an organic synthesis intermediate for sulfur-containing aryl compounds, supporting routes in pharmaceutical and agrochemical development; it also serves as a building block for dyes and pigments in specialty chemicals; in polymer and coating formulations it functions as a functionalized phenol precursor for the preparation of specialty monomers and crosslinkable resins; the compound may be considered for fragrance applications as an odorant or fragrance intermediate; and it is sometimes employed in the development of specialty materials for adhesives and coatings, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2042.03
    methanol 1784.85
    isopropanol 1373.25
    water 1.41
    ethyl acetate 1052.51
    n-propanol 1215.36
    acetone 2324.39
    n-butanol 976.66
    acetonitrile 1911.42
    DMF 3612.06
    toluene 582.3
    isobutanol 735.05
    1,4-dioxane 2510.05
    methyl acetate 1250.44
    THF 2854.03
    2-butanone 1476.82
    n-pentanol 607.89
    sec-butanol 799.76
    n-hexane 114.86
    ethylene glycol 385.57
    NMP 1489.95
    cyclohexane 240.11
    DMSO 4225.92
    n-butyl acetate 1281.36
    n-octanol 512.51
    chloroform 2960.29
    n-propyl acetate 833.46
    acetic acid 952.49
    dichloromethane 3244.89
    cyclohexanone 2062.55
    propylene glycol 391.29
    isopropyl acetate 539.35
    DMAc 1154.98
    2-ethoxyethanol 788.94
    isopentanol 586.19
    n-heptane 188.17
    ethyl formate 1127.34
    1,2-dichloroethane 2118.99
    n-hexanol 915.12
    2-methoxyethanol 1543.11
    isobutyl acetate 431.87
    tetrachloromethane 494.49
    n-pentyl acetate 622.87
    transcutol 1660.65
    n-heptanol 450.82
    ethylbenzene 290.39
    MIBK 529.3
    2-propoxyethanol 1180.66
    tert-butanol 1019.96
    MTBE 765.48
    2-butoxyethanol 637.23
    propionic acid 854.74
    o-xylene 321.86
    formic acid 249.22
    diethyl ether 1112.36
    m-xylene 361.62
    p-xylene 318.43
    chlorobenzene 840.77
    dimethyl carbonate 428.59
    n-octane 96.6
    formamide 698.55
    cyclopentanone 2313.06
    2-pentanone 1125.45
    anisole 630.4
    cyclopentyl methyl ether 936.53
    gamma-butyrolactone 2181.06
    1-methoxy-2-propanol 1015.72
    pyridine 1650.05
    3-pentanone 755.87
    furfural 1640.43
    n-dodecane 76.65
    diethylene glycol 830.21
    diisopropyl ether 266.19
    tert-amyl alcohol 653.86
    acetylacetone 1087.49
    n-hexadecane 86.78
    acetophenone 538.47
    methyl propionate 874.73
    isopentyl acetate 811.72
    trichloroethylene 3221.45
    n-nonanol 414.46
    cyclohexanol 795.52
    benzyl alcohol 471.17
    2-ethylhexanol 508.95
    isooctanol 343.73
    dipropyl ether 766.45
    1,2-dichlorobenzene 684.19
    ethyl lactate 343.13
    propylene carbonate 1110.56
    n-methylformamide 1851.99
    2-pentanol 554.43
    n-pentane 138.97
    1-propoxy-2-propanol 900.13
    1-methoxy-2-propyl acetate 746.45
    2-(2-methoxypropoxy) propanol 477.41
    mesitylene 254.73
    ε-caprolactone 1397.83
    p-cymene 246.08
    epichlorohydrin 2253.33
    1,1,1-trichloroethane 1458.84
    2-aminoethanol 618.99
    morpholine-4-carbaldehyde 1789.99
    sulfolane 2504.09
    2,2,4-trimethylpentane 57.74
    2-methyltetrahydrofuran 1590.22
    n-hexyl acetate 753.96
    isooctane 62.93
    2-(2-butoxyethoxy)ethanol 737.58
    sec-butyl acetate 404.37
    tert-butyl acetate 564.52
    decalin 96.78
    glycerin 453.51
    diglyme 1460.55
    acrylic acid 669.51
    isopropyl myristate 325.5
    n-butyric acid 1070.18
    acetyl acetate 525.68
    di(2-ethylhexyl) phthalate 242.73
    ethyl propionate 550.9
    nitromethane 2187.54
    1,2-diethoxyethane 1016.1
    benzonitrile 829.24
    trioctyl phosphate 235.18
    1-bromopropane 1130.95
    gamma-valerolactone 2364.08
    n-decanol 321.86
    triethyl phosphate 255.48
    4-methyl-2-pentanol 267.95
    propionitrile 1241.97
    vinylene carbonate 1166.0
    1,1,2-trichlorotrifluoroethane 1099.33
    DMS 466.95
    cumene 193.23
    2-octanol 372.33
    2-hexanone 840.87
    octyl acetate 404.84
    limonene 381.24
    1,2-dimethoxyethane 1632.3
    ethyl orthosilicate 247.97
    tributyl phosphate 262.8
    diacetone alcohol 635.54
    N,N-dimethylaniline 365.94
    acrylonitrile 1580.04
    aniline 588.8
    1,3-propanediol 892.36
    bromobenzene 964.99
    dibromomethane 2223.15
    1,1,2,2-tetrachloroethane 2070.75
    2-methyl-cyclohexyl acetate 424.97
    tetrabutyl urea 373.34
    diisobutyl methanol 314.02
    2-phenylethanol 560.84
    styrene 399.17
    dioctyl adipate 374.56
    dimethyl sulfate 665.72
    ethyl butyrate 769.15
    methyl lactate 400.79
    butyl lactate 436.37
    diethyl carbonate 445.22
    propanediol butyl ether 633.12
    triethyl orthoformate 410.66
    p-tert-butyltoluene 238.21
    methyl 4-tert-butylbenzoate 469.31
    morpholine 2202.22
    tert-butylamine 589.39
    n-dodecanol 257.23
    dimethoxymethane 1470.22
    ethylene carbonate 996.07
    cyrene 456.0
    2-ethoxyethyl acetate 701.92
    2-ethylhexyl acetate 641.01
    1,2,4-trichlorobenzene 687.15
    4-methylpyridine 1367.11
    dibutyl ether 604.7
    2,6-dimethyl-4-heptanol 314.02
    DEF 1142.93
    dimethyl isosorbide 808.4
    tetrachloroethylene 1364.88
    eugenol 512.08
    triacetin 513.2
    span 80 479.31
    1,4-butanediol 361.33
    1,1-dichloroethane 2021.22
    2-methyl-1-pentanol 396.8
    methyl formate 1351.57
    2-methyl-1-butanol 539.81
    n-decane 126.67
    butyronitrile 1316.08
    3,7-dimethyl-1-octanol 382.11
    1-chlorooctane 434.23
    1-chlorotetradecane 174.41
    n-nonane 135.04
    undecane 95.5
    tert-butylcyclohexane 91.5
    cyclooctane 90.06
    cyclopentanol 940.84
    tetrahydropyran 2022.06
    tert-amyl methyl ether 466.35
    2,5,8-trioxanonane 914.16
    1-hexene 400.21
    2-isopropoxyethanol 550.42
    2,2,2-trifluoroethanol 282.0
    methyl butyrate 846.21

    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