2,4,6-Trimethylthiophenol

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  • Identifiers

    CAS number
    1541-10-2

    Molecular formula
    C9H12S

    SMILES
    CC1=CC(=C(C(=C1)C)S)C

    Safety labels

  • Odor profile

    Fragrance
    Meaty 71.4%
    Roasted 67.93%
    Sulfurous 64.23%
    Smoky 54.39%
    Phenolic 51.57%
    Burnt 51.46%
    Coffee 41.5%
    Savory 37.19%
    Spicy 32.97%
    Beefy 31.91%

     

    Flavor
    Phenolic 44.78%
    Meaty 43.88%
    Roasted 39.53%
    Medicinal 32.26%
    Coffee 31.56%
    Burnt 30.49%
    Smoke 30.09%
    Sulfurous 29.26%
    Sulfury 27.22%
    Musty 27.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.89 (neutral)

    Molecular weight
    152.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    251°C

    Flash point

    • 93.16 ˚C est.

  • Synonyms

    • 2,4,6-TRIMETHYLTHIOPHENOL
    • DTXSID80300979
    • RefChem:1059646
    • DTXCID50252113
    • 1541-10-2
    • 2,4,6-Trimethylbenzenethiol
    • 2,4,6-trimethylbenzene-1-thiol
    • MFCD00218475
    • Benzenethiol,2,4,6-trimethyl-
    • 2,4,6-trimethyl thiophenol
    • 2,4,6-trimethyl-thiophenol
    • SCHEMBL1183272
    • SCHEMBL1402433
    • HMS1789D08
    • 2,4,6-trimethyl-benzene-1-thiol
    • AKOS001079486
    • BP-10625
    • BS-53312
    • DB-043214
    • CS-0196820
    • ST50824372
    • E78144
    • Z56347178
    • 1541-10-2

  • Applications

    2,4,6-Trimethylthiophenol (CAS number: 1541-10-2) is primarily used as an odorant and fragrance ingredient in perfumery and cosmetics, with potential use in household products as a scent component. It also serves as a sulfur-containing aroma-chemical precursor and as a specialty intermediate in industrial manufacturing for organic synthesis. Additionally, it may act as a precursor for specialty polymers and related materials, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 647.39
    methanol 767.85
    isopropanol 457.8
    water 3.05
    ethyl acetate 656.84
    n-propanol 563.82
    acetone 969.16
    n-butanol 527.17
    acetonitrile 791.86
    DMF 852.3
    toluene 538.93
    isobutanol 378.05
    1,4-dioxane 2163.03
    methyl acetate 665.35
    THF 2719.89
    2-butanone 724.44
    n-pentanol 415.19
    sec-butanol 412.9
    n-hexane 389.27
    ethylene glycol 114.15
    NMP 938.41
    cyclohexane 344.44
    DMSO 728.77
    n-butyl acetate 651.8
    n-octanol 281.31
    chloroform 1105.48
    n-propyl acetate 447.23
    acetic acid 301.2
    dichloromethane 1126.53
    cyclohexanone 1138.44
    propylene glycol 119.58
    isopropyl acetate 400.73
    DMAc 497.65
    2-ethoxyethanol 559.39
    isopentanol 380.98
    n-heptane 246.79
    ethyl formate 371.26
    1,2-dichloroethane 914.76
    n-hexanol 705.27
    2-methoxyethanol 751.81
    isobutyl acetate 326.16
    tetrachloromethane 392.29
    n-pentyl acetate 390.6
    transcutol 756.08
    n-heptanol 309.86
    ethylbenzene 280.83
    MIBK 441.62
    2-propoxyethanol 951.76
    tert-butanol 538.02
    MTBE 781.42
    2-butoxyethanol 431.74
    propionic acid 300.89
    o-xylene 260.19
    formic acid 109.04
    diethyl ether 1283.51
    m-xylene 367.21
    p-xylene 318.65
    chlorobenzene 487.46
    dimethyl carbonate 266.09
    n-octane 110.24
    formamide 194.49
    cyclopentanone 1368.44
    2-pentanone 739.98
    anisole 504.87
    cyclopentyl methyl ether 1197.52
    gamma-butyrolactone 1210.72
    1-methoxy-2-propanol 570.94
    pyridine 805.91
    3-pentanone 554.99
    furfural 695.15
    n-dodecane 63.9
    diethylene glycol 500.05
    diisopropyl ether 392.68
    tert-amyl alcohol 432.14
    acetylacetone 605.77
    n-hexadecane 72.49
    acetophenone 323.5
    methyl propionate 519.96
    isopentyl acetate 509.31
    trichloroethylene 1075.83
    n-nonanol 255.1
    cyclohexanol 490.85
    benzyl alcohol 282.5
    2-ethylhexanol 386.28
    isooctanol 240.63
    dipropyl ether 688.69
    1,2-dichlorobenzene 369.16
    ethyl lactate 159.16
    propylene carbonate 487.42
    n-methylformamide 458.58
    2-pentanol 401.64
    n-pentane 264.67
    1-propoxy-2-propanol 567.3
    1-methoxy-2-propyl acetate 471.04
    2-(2-methoxypropoxy) propanol 265.46
    mesitylene 243.31
    ε-caprolactone 766.81
    p-cymene 174.09
    epichlorohydrin 1402.04
    1,1,1-trichloroethane 837.91
    2-aminoethanol 201.62
    morpholine-4-carbaldehyde 1003.97
    sulfolane 1103.46
    2,2,4-trimethylpentane 99.13
    2-methyltetrahydrofuran 1641.51
    n-hexyl acetate 482.78
    isooctane 96.54
    2-(2-butoxyethoxy)ethanol 402.04
    sec-butyl acetate 292.33
    tert-butyl acetate 476.16
    decalin 149.79
    glycerin 160.18
    diglyme 755.06
    acrylic acid 223.41
    isopropyl myristate 207.87
    n-butyric acid 407.86
    acetyl acetate 321.62
    di(2-ethylhexyl) phthalate 142.12
    ethyl propionate 391.13
    nitromethane 643.79
    1,2-diethoxyethane 650.24
    benzonitrile 343.19
    trioctyl phosphate 137.37
    1-bromopropane 757.1
    gamma-valerolactone 1336.5
    n-decanol 195.95
    triethyl phosphate 183.98
    4-methyl-2-pentanol 229.02
    propionitrile 597.87
    vinylene carbonate 430.35
    1,1,2-trichlorotrifluoroethane 433.75
    DMS 327.18
    cumene 192.34
    2-octanol 217.08
    2-hexanone 564.18
    octyl acetate 266.11
    limonene 298.05
    1,2-dimethoxyethane 1038.63
    ethyl orthosilicate 192.13
    tributyl phosphate 149.9
    diacetone alcohol 404.77
    N,N-dimethylaniline 310.58
    acrylonitrile 523.14
    aniline 372.24
    1,3-propanediol 326.67
    bromobenzene 522.57
    dibromomethane 935.37
    1,1,2,2-tetrachloroethane 759.82
    2-methyl-cyclohexyl acetate 306.5
    tetrabutyl urea 190.79
    diisobutyl methanol 212.23
    2-phenylethanol 376.23
    styrene 335.07
    dioctyl adipate 210.81
    dimethyl sulfate 343.89
    ethyl butyrate 389.66
    methyl lactate 190.83
    butyl lactate 185.82
    diethyl carbonate 229.41
    propanediol butyl ether 244.1
    triethyl orthoformate 268.29
    p-tert-butyltoluene 190.78
    methyl 4-tert-butylbenzoate 290.48
    morpholine 1719.1
    tert-butylamine 397.61
    n-dodecanol 154.39
    dimethoxymethane 1018.14
    ethylene carbonate 433.32
    cyrene 289.28
    2-ethoxyethyl acetate 429.67
    2-ethylhexyl acetate 453.58
    1,2,4-trichlorobenzene 389.28
    4-methylpyridine 794.45
    dibutyl ether 432.57
    2,6-dimethyl-4-heptanol 212.23
    DEF 606.89
    dimethyl isosorbide 494.73
    tetrachloroethylene 584.24
    eugenol 260.26
    triacetin 249.53
    span 80 264.15
    1,4-butanediol 166.44
    1,1-dichloroethane 851.14
    2-methyl-1-pentanol 328.73
    methyl formate 408.02
    2-methyl-1-butanol 369.16
    n-decane 110.42
    butyronitrile 628.87
    3,7-dimethyl-1-octanol 237.29
    1-chlorooctane 281.8
    1-chlorotetradecane 119.43
    n-nonane 121.04
    undecane 81.43
    tert-butylcyclohexane 149.89
    cyclooctane 160.73
    cyclopentanol 564.96
    tetrahydropyran 1810.7
    tert-amyl methyl ether 550.59
    2,5,8-trioxanonane 461.68
    1-hexene 641.32
    2-isopropoxyethanol 415.8
    2,2,2-trifluoroethanol 141.87
    methyl butyrate 447.5

    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