4-Methoxy-alpha-toluenethiol

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  • Identifiers

    CAS number
    6258-60-2

    Molecular formula
    C8H10OS

    SMILES
    COC1=CC=C(C=C1)CS

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Sulfurous 72.76%
    Floral 64.6%
    Meaty 51.56%
    Roasted 47.06%
    Burnt 45.78%
    Coffee 42.33%
    Phenolic 41.31%
    Smoky 40.9%
    Sweet 37.67%
    Onion 35.9%

     

    Flavor
    Sweet 68.22%
    Sulfurous 54.56%
    Meaty 47.65%
    Phenolic 46.48%
    Spicy 42.67%
    Floral 42.09%
    Coffee 41.25%
    Powdery 35.3%
    Onion 34.99%
    Smoky 32.04%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.73 (neutral)

    Molecular weight
    154.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point

    • 89.19 ˚C est.

  • Synonyms

    • 6258-60-2
    • 4-Methoxybenzyl mercaptan
    • 4-Methoxy-alpha-toluenethiol
    • (4-Methoxyphenyl)methanethiol
    • 4-Methoxy Benzylmercaptan
    • p-Methoxybenzylmercaptan
    • 4-methoxybenzylmercaptan
    • 4-Methoxybenzenemethanethiol
    • Benzenemethanethiol, 4-methoxy-
    • p-Methoxybenzyl Mercaptan
    • p-Methoxybenzylthiol
    • 4-Methoxy-|A-toluenethiol
    • EINECS 228-393-6
    • 4-Methoxy-?-toluenethiol
    • p-Methoxy-alpha-toluenethiol
    • 9FTY888ZTV
    • C8H10OS
    • p-Methoxy-.alpha.-toluenethiol
    • 4-Methoxy-.alpha.-toluenethiol
    • CHEMBL1224560
    • 4-Methoxy benzyl mercaptan
    • 4-methoxybenzylthiol
    • MFCD00004871
    • paramethoxybenzylmercaptan
    • 4-methyoxybenzylmercaptan
    • 4-methoxy-a-toluenethiol
    • 4-methoxy-benzylmercaptan
    • UNII-9FTY888ZTV
    • 4-Methoxy-??-toluenethiol
    • 4-methoxy alpha-toluenethiol
    • SCHEMBL61391
    • p-Methoxy-alpha-toluene thiol
    • (4-methoxyphenyl)methane thiol
    • alpha-Toluenethiol, p-methoxy-
    • 4-Methoxy- alpha -toluenethiol
    • (4-methoxy-phenyl)-methanethiol
    • (4-Methoxyphenyl)methanethiol #
    • DTXSID80211617
    • [4-(methyloxy)phenyl]methanethiol
    • [4-(methyloxy) phenyl]methanethiol
    • BDBM50325569
    • AKOS005207230
    • FM25282
    • FS-3857
    • PB47906
    • AC-15205
    • PD182254
    • M1165
    • NS00035079
    • EN300-122082
    • N11954
    • 4-Methoxy-alpha-toluenethiol, 90%, technical grade
    • Q21209316
    • Z1255360358
    • 4-Methoxy-benzenemethanethiol;p-Methoxy-a-toluenethiol;(4-Methoxyphenyl)methanethiol
    • 228-393-6

  • Applications

    4-Methoxy-alpha-toluenethiol (CAS 6258-60-2) is used primarily as an odorant in perfumery and as a fragrance ingredient in cosmetics and personal care products; it can also serve as a reactive intermediate in the synthesis of sulfur-containing aroma compounds and other specialty organosulfur derivatives; in household products, it may be employed as an odor component in air fresheners and cleaning products; it may function as a building block for specialty organosulfur compounds used in materials science and coatings; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 268.19
    methanol 312.8
    isopropanol 130.98
    water 2.02
    ethyl acetate 247.36
    n-propanol 186.52
    acetone 188.5
    n-butanol 155.49
    acetonitrile 233.31
    DMF 223.69
    toluene 126.77
    isobutanol 99.02
    1,4-dioxane 867.78
    methyl acetate 235.22
    THF 385.67
    2-butanone 170.79
    n-pentanol 105.65
    sec-butanol 101.47
    n-hexane 8.32
    ethylene glycol 113.74
    NMP 145.73
    cyclohexane 35.94
    DMSO 350.7
    n-butyl acetate 116.01
    n-octanol 34.74
    chloroform 832.45
    n-propyl acetate 120.3
    acetic acid 317.93
    dichloromethane 690.82
    cyclohexanone 207.62
    propylene glycol 79.21
    isopropyl acetate 97.52
    DMAc 200.61
    2-ethoxyethanol 251.62
    isopentanol 103.09
    n-heptane 12.16
    ethyl formate 140.42
    1,2-dichloroethane 413.54
    n-hexanol 90.56
    2-methoxyethanol 394.03
    isobutyl acetate 73.46
    tetrachloromethane 117.22
    n-pentyl acetate 55.15
    transcutol 725.48
    n-heptanol 40.61
    ethylbenzene 46.21
    MIBK 67.89
    2-propoxyethanol 198.75
    tert-butanol 162.21
    MTBE 129.41
    2-butoxyethanol 107.51
    propionic acid 153.19
    o-xylene 66.79
    formic acid 153.9
    diethyl ether 251.59
    m-xylene 59.17
    p-xylene 57.91
    chlorobenzene 174.88
    dimethyl carbonate 74.14
    n-octane 4.37
    formamide 233.45
    cyclopentanone 181.49
    2-pentanone 104.46
    anisole 145.76
    cyclopentyl methyl ether 122.64
    gamma-butyrolactone 216.07
    1-methoxy-2-propanol 177.29
    pyridine 478.98
    3-pentanone 103.95
    furfural 316.64
    n-dodecane 4.41
    diethylene glycol 218.25
    diisopropyl ether 39.71
    tert-amyl alcohol 102.9
    acetylacetone 156.87
    n-hexadecane 5.09
    acetophenone 117.2
    methyl propionate 139.68
    isopentyl acetate 91.15
    trichloroethylene 775.23
    n-nonanol 35.0
    cyclohexanol 112.21
    benzyl alcohol 114.72
    2-ethylhexanol 53.44
    isooctanol 33.52
    dipropyl ether 86.01
    1,2-dichlorobenzene 144.42
    ethyl lactate 57.09
    propylene carbonate 132.55
    n-methylformamide 144.4
    2-pentanol 66.43
    n-pentane 12.01
    1-propoxy-2-propanol 106.17
    1-methoxy-2-propyl acetate 127.39
    2-(2-methoxypropoxy) propanol 119.65
    mesitylene 37.94
    ε-caprolactone 177.32
    p-cymene 32.87
    epichlorohydrin 396.05
    1,1,1-trichloroethane 327.77
    2-aminoethanol 150.34
    morpholine-4-carbaldehyde 341.31
    sulfolane 216.01
    2,2,4-trimethylpentane 7.63
    2-methyltetrahydrofuran 238.48
    n-hexyl acetate 67.6
    isooctane 5.64
    2-(2-butoxyethoxy)ethanol 166.21
    sec-butyl acetate 72.64
    tert-butyl acetate 98.88
    decalin 13.05
    glycerin 132.32
    diglyme 365.74
    acrylic acid 155.58
    isopropyl myristate 36.37
    n-butyric acid 173.51
    acetyl acetate 173.59
    di(2-ethylhexyl) phthalate 41.09
    ethyl propionate 97.59
    nitromethane 423.61
    1,2-diethoxyethane 206.31
    benzonitrile 136.75
    trioctyl phosphate 25.79
    1-bromopropane 167.76
    gamma-valerolactone 293.23
    n-decanol 27.28
    triethyl phosphate 55.08
    4-methyl-2-pentanol 38.05
    propionitrile 160.24
    vinylene carbonate 165.07
    1,1,2-trichlorotrifluoroethane 310.22
    DMS 102.0
    cumene 31.94
    2-octanol 23.25
    2-hexanone 92.94
    octyl acetate 40.36
    limonene 46.99
    1,2-dimethoxyethane 397.03
    ethyl orthosilicate 56.19
    tributyl phosphate 34.17
    diacetone alcohol 102.58
    N,N-dimethylaniline 81.43
    acrylonitrile 201.67
    aniline 159.52
    1,3-propanediol 197.94
    bromobenzene 175.19
    dibromomethane 405.27
    1,1,2,2-tetrachloroethane 506.61
    2-methyl-cyclohexyl acetate 73.69
    tetrabutyl urea 43.21
    diisobutyl methanol 35.32
    2-phenylethanol 94.67
    styrene 75.3
    dioctyl adipate 60.37
    dimethyl sulfate 103.09
    ethyl butyrate 97.88
    methyl lactate 73.04
    butyl lactate 47.66
    diethyl carbonate 80.79
    propanediol butyl ether 76.42
    triethyl orthoformate 78.49
    p-tert-butyltoluene 32.17
    methyl 4-tert-butylbenzoate 82.28
    morpholine 657.36
    tert-butylamine 89.93
    n-dodecanol 22.95
    dimethoxymethane 217.81
    ethylene carbonate 135.16
    cyrene 115.92
    2-ethoxyethyl acetate 122.8
    2-ethylhexyl acetate 75.98
    1,2,4-trichlorobenzene 190.29
    4-methylpyridine 253.74
    dibutyl ether 54.81
    2,6-dimethyl-4-heptanol 35.32
    DEF 142.99
    dimethyl isosorbide 173.23
    tetrachloroethylene 397.75
    eugenol 94.48
    triacetin 111.1
    span 80 86.85
    1,4-butanediol 68.46
    1,1-dichloroethane 341.58
    2-methyl-1-pentanol 84.15
    methyl formate 120.62
    2-methyl-1-butanol 92.67
    n-decane 6.56
    butyronitrile 142.11
    3,7-dimethyl-1-octanol 41.04
    1-chlorooctane 27.2
    1-chlorotetradecane 13.57
    n-nonane 5.72
    undecane 5.2
    tert-butylcyclohexane 10.97
    cyclooctane 9.57
    cyclopentanol 98.29
    tetrahydropyran 431.81
    tert-amyl methyl ether 81.97
    2,5,8-trioxanonane 254.76
    1-hexene 36.99
    2-isopropoxyethanol 143.79
    2,2,2-trifluoroethanol 107.04
    methyl butyrate 116.26

    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