o-(Methylthio)phenol

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  • Identifiers

    CAS number
    1073-29-6

    Molecular formula
    C7H8OS

    SMILES
    CSC1=CC=CC=C1O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Meaty 78.93%
    Sulfurous 75.57%
    Smoky 66.63%
    Roasted 65.54%
    Burnt 61.5%
    Phenolic 56.64%
    Savory 48.6%
    Onion 46.53%
    Coffee 46.32%
    Beefy 44.49%

     

    Flavor
    Sulfurous 71.66%
    Meaty 69.26%
    Onion 64.77%
    Garlic 60.65%
    Sulfury 49.23%
    Phenolic 46.77%
    Roasted 44.68%
    Coffee 38.82%
    Egg 37.13%
    Smoke 34.2%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.42 (weak base)

    Molecular weight
    140.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 218.00 to 219.00 °C. @ 760.00 mm Hg

    Flash point

    • 104.37 ˚C est.

  • Synonyms

    • 2-(Methylthio)phenol
    • 1073-29-6
    • 2-Hydroxythioanisole
    • o-(Methylthio)phenol
    • 2-(Methylsulfanyl)phenol
    • PHENOL, 2-(METHYLTHIO)-
    • (2-Hydroxy)thioanisole
    • o-Hydroxythioanisole
    • 2-methylsulfanylphenol
    • Phenol, o-(methylthio)-
    • 2-Methylmercaptophenol
    • Methyl (2-hydroxyphenyl) sulfide
    • Hydroxythioanisole, o-
    • FEMA No. 3210
    • (Methylthio)phenol, o-
    • 2-(methyl thio) phenol
    • 2-(Methylmercapto)phenol
    • 1-Hydroxy-2-methylmercaptobenzene
    • 2-methylsulfanyl-phenol
    • EINECS 214-027-2
    • MFCD00002211
    • NSC 75839
    • NSC-75839
    • A6JO803536
    • DTXSID9061463
    • O-(METHYLTHIO)PHENOL [FHFI]
    • 1-HYDROXY-2-METHYLMERCAPTO-BENZENE
    • o-(Methylthio)-phenol
    • UNII-A6JO803536
    • NSC75839
    • 2-methylsulanylphenol
    • ortho(methylthio)phenol
    • 2-(hydroxy)thioanisole
    • 2-(methyl-thio)phenol
    • 2-methyl-mercaptophenol
    • phenol, 2-methylthio-
    • 2-(Methylthio)-Phenol
    • ortho-(methylthio)phenol
    • Ortho-(Methylthio)-Phenol
    • 2-(Methylsulfanyl)phenol #
    • 2-(Methylthio)phenol, 9CI
    • SCHEMBL337809
    • CHEMBL225343
    • DTXCID3033068
    • FEMA 3210
    • Phenol, o-(methylthio)-(8CI)
    • CHEBI:173591
    • Phenol, o-(methylthio)- (8CI)
    • GEO-04848
    • AKOS009159343
    • CS-W018308
    • AC-16443
    • AS-31178
    • BP-10940
    • SY008439
    • DB-017935
    • M1854
    • NS00021493
    • EN300-71982
    • Q27273693
    • 214-027-2

  • Applications

    o-(Methylthio)phenol (CAS 1073-29-6) is primarily used as an aromatic building block in organic synthesis, serving as a versatile intermediate for the preparation of substituted phenols, thioether-containing motifs, and related intermediates. It is often evaluated for fragrance chemistry as a potential odorant or raw material for fragrance libraries in perfumery and cosmetics. In coatings, inks, and polymer formulations, it can act as a precursor or modifier to introduce sulfur-containing aryl units, influencing material properties. It may also occur as an intermediate in the manufacture of dyes, pigments, and agrochemical or pharmaceutical compounds, depending on the synthetic route. Where applicable, use is subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2675.75
    methanol 2845.41
    isopropanol 1639.77
    water 10.09
    ethyl acetate 1556.52
    n-propanol 1717.17
    acetone 2995.0
    n-butanol 1116.54
    acetonitrile 2446.57
    DMF 2595.51
    toluene 535.92
    isobutanol 989.51
    1,4-dioxane 6053.85
    methyl acetate 1682.68
    THF 5028.75
    2-butanone 1620.94
    n-pentanol 828.53
    sec-butanol 1007.36
    n-hexane 168.41
    ethylene glycol 501.06
    NMP 2241.73
    cyclohexane 255.38
    DMSO 4727.34
    n-butyl acetate 959.97
    n-octanol 433.64
    chloroform 2327.9
    n-propyl acetate 1072.08
    acetic acid 1551.72
    dichloromethane 2136.47
    cyclohexanone 2402.33
    propylene glycol 421.22
    isopropyl acetate 763.45
    DMAc 760.98
    2-ethoxyethanol 1301.53
    isopentanol 699.6
    n-heptane 123.02
    ethyl formate 1110.88
    1,2-dichloroethane 1853.9
    n-hexanol 737.71
    2-methoxyethanol 1951.71
    isobutyl acetate 578.0
    tetrachloromethane 502.15
    n-pentyl acetate 567.89
    transcutol 2372.62
    n-heptanol 407.65
    ethylbenzene 230.18
    MIBK 698.86
    2-propoxyethanol 1359.96
    tert-butanol 1405.04
    MTBE 1035.22
    2-butoxyethanol 719.61
    propionic acid 1303.09
    o-xylene 222.66
    formic acid 619.33
    diethyl ether 1954.96
    m-xylene 305.86
    p-xylene 254.18
    chlorobenzene 761.46
    dimethyl carbonate 484.81
    n-octane 65.98
    formamide 1328.03
    cyclopentanone 2918.81
    2-pentanone 1355.91
    anisole 715.85
    cyclopentyl methyl ether 1686.55
    gamma-butyrolactone 3321.44
    1-methoxy-2-propanol 1339.67
    pyridine 1895.59
    3-pentanone 842.68
    furfural 1851.82
    n-dodecane 50.31
    diethylene glycol 1049.29
    diisopropyl ether 407.14
    tert-amyl alcohol 750.83
    acetylacetone 1317.53
    n-hexadecane 57.69
    acetophenone 530.33
    methyl propionate 1095.94
    isopentyl acetate 651.77
    trichloroethylene 2550.39
    n-nonanol 360.17
    cyclohexanol 978.43
    benzyl alcohol 477.11
    2-ethylhexanol 379.77
    isooctanol 325.0
    dipropyl ether 663.53
    1,2-dichlorobenzene 543.51
    ethyl lactate 354.99
    propylene carbonate 1289.75
    n-methylformamide 1900.88
    2-pentanol 715.25
    n-pentane 168.47
    1-propoxy-2-propanol 844.98
    1-methoxy-2-propyl acetate 746.97
    2-(2-methoxypropoxy) propanol 464.02
    mesitylene 197.91
    ε-caprolactone 1780.06
    p-cymene 137.58
    epichlorohydrin 3234.64
    1,1,1-trichloroethane 1435.48
    2-aminoethanol 874.57
    morpholine-4-carbaldehyde 2339.99
    sulfolane 3456.84
    2,2,4-trimethylpentane 56.65
    2-methyltetrahydrofuran 3171.16
    n-hexyl acetate 728.92
    isooctane 69.38
    2-(2-butoxyethoxy)ethanol 823.03
    sec-butyl acetate 518.95
    tert-butyl acetate 816.15
    decalin 94.16
    glycerin 565.79
    diglyme 1485.37
    acrylic acid 996.0
    isopropyl myristate 288.38
    n-butyric acid 1322.61
    acetyl acetate 641.31
    di(2-ethylhexyl) phthalate 184.61
    ethyl propionate 689.97
    nitromethane 3290.85
    1,2-diethoxyethane 1069.14
    benzonitrile 708.58
    trioctyl phosphate 191.53
    1-bromopropane 978.28
    gamma-valerolactone 3473.0
    n-decanol 271.9
    triethyl phosphate 219.3
    4-methyl-2-pentanol 344.06
    propionitrile 1350.06
    vinylene carbonate 1141.29
    1,1,2-trichlorotrifluoroethane 1229.42
    DMS 492.05
    cumene 150.98
    2-octanol 315.42
    2-hexanone 984.34
    octyl acetate 362.81
    limonene 220.11
    1,2-dimethoxyethane 1928.65
    ethyl orthosilicate 218.03
    tributyl phosphate 213.66
    diacetone alcohol 832.81
    N,N-dimethylaniline 341.85
    acrylonitrile 1472.9
    aniline 698.47
    1,3-propanediol 1227.29
    bromobenzene 701.04
    dibromomethane 1528.63
    1,1,2,2-tetrachloroethane 1710.7
    2-methyl-cyclohexyl acetate 386.3
    tetrabutyl urea 268.6
    diisobutyl methanol 242.15
    2-phenylethanol 495.16
    styrene 328.14
    dioctyl adipate 322.94
    dimethyl sulfate 747.55
    ethyl butyrate 603.55
    methyl lactate 461.02
    butyl lactate 372.47
    diethyl carbonate 342.55
    propanediol butyl ether 596.16
    triethyl orthoformate 358.77
    p-tert-butyltoluene 145.16
    methyl 4-tert-butylbenzoate 424.66
    morpholine 4637.41
    tert-butylamine 762.57
    n-dodecanol 210.15
    dimethoxymethane 1870.04
    ethylene carbonate 1075.23
    cyrene 494.59
    2-ethoxyethyl acetate 753.05
    2-ethylhexyl acetate 505.56
    1,2,4-trichlorobenzene 633.15
    4-methylpyridine 1422.75
    dibutyl ether 537.4
    2,6-dimethyl-4-heptanol 242.15
    DEF 1080.1
    dimethyl isosorbide 869.45
    tetrachloroethylene 1238.63
    eugenol 453.57
    triacetin 487.41
    span 80 479.75
    1,4-butanediol 485.28
    1,1-dichloroethane 1813.03
    2-methyl-1-pentanol 479.66
    methyl formate 1440.84
    2-methyl-1-butanol 640.61
    n-decane 86.23
    butyronitrile 1254.01
    3,7-dimethyl-1-octanol 310.26
    1-chlorooctane 307.61
    1-chlorotetradecane 122.49
    n-nonane 91.65
    undecane 64.15
    tert-butylcyclohexane 94.22
    cyclooctane 83.1
    cyclopentanol 1348.25
    tetrahydropyran 3955.09
    tert-amyl methyl ether 562.35
    2,5,8-trioxanonane 907.3
    1-hexene 496.86
    2-isopropoxyethanol 813.97
    2,2,2-trifluoroethanol 517.48
    methyl butyrate 941.75

    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