3,5-Dimethylbenzenethiol

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  • Identifiers

    CAS number
    38360-81-5

    Molecular formula
    C8H10S

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 61.27%
    Meaty 57.34%
    Roasted 50.15%
    Woody 48.99%
    Burnt 47.78%
    Phenolic 44.7%
    Smoky 38.63%
    Coffee 33.07%
    Animal 30.35%
    Savory 30.24%

     

    Flavor
    Phenolic 40.87%
    Woody 35.78%
    Medicinal 30.5%
    Leather 27.55%
    Plastic 26.65%
    Meaty 25.67%
    Smoke 23.87%
    Smoky 23.06%
    Flat 22.93%
    Musty 22.39%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    6.59 (neutral)

    Molecular weight
    138.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    222°C

    Flash point

    • 75.84 ˚C est.

  • Synonyms

    • 3,5-Dimethylbenzenethiol
    • 38360-81-5
    • Benzenethiol, 3,5-dimethyl-
    • 3,5-Xylenethiol
    • U18S77737Q
    • DTXSID3068093
    • RefChem:1065936
    • DTXCID5039482
    • 253-901-8
    • 3,5-Dimethylthiophenol
    • 3,5-dimethylbenzene-1-thiol
    • MFCD00040226
    • m-Xylene-5-thiol
    • 5-Mercapto-m-xylene
    • UNII-U18S77737Q
    • EINECS 253-901-8
    • 3,5dimethylthiophenol
    • 3,5-Dimethylbenzenethio
    • 3,5-dimethyl-thiophenol
    • UNII-FF8DL45MWR
    • FF8DL45MWR
    • 3,5-Dimethylbenzenethiol #
    • SCHEMBL1145629
    • SCHEMBL1145630
    • SCHEMBL27921932
    • 3,5-Dimethylbenzenethiol, 90%
    • 3,5-Dimethylbenzenethiol, 96%
    • EINECS 247-095-7
    • SBB086033
    • AKOS006222980
    • PS-3010
    • SY049877
    • DB-022106
    • CS-0153247
    • D4286
    • NS00030372
    • EN300-673715
    • F20943
    • 3,5-Dimethyl thiophenol;3,5-dimethylbenzenethiol
    • F001348
    • Q27290551
    • 38360-81-5

  • Applications

    3,5-Dimethylbenzenethiol (CAS 38360-81-5) is primarily used as a fragrance ingredient in perfumery and personal care formulations; it may also serve as a chemical intermediate in the production of colorants and other specialty additives for the plastics and polymer industries. Given its mercaptan character, it is considered a building block for surface coatings and functional surfaces, including applications in sensors and electronics. It may also act as a building block in materials and bonding systems for adhesives, coatings, and specialty polymers, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1541.25
    methanol 1617.51
    isopropanol 956.21
    water 4.51
    ethyl acetate 1170.48
    n-propanol 1160.97
    acetone 2083.59
    n-butanol 1168.54
    acetonitrile 1226.68
    DMF 977.23
    toluene 674.26
    isobutanol 797.49
    1,4-dioxane 2483.99
    methyl acetate 1109.08
    THF 4114.63
    2-butanone 1350.58
    n-pentanol 833.75
    sec-butanol 801.14
    n-hexane 677.96
    ethylene glycol 225.72
    NMP 1057.74
    cyclohexane 730.5
    DMSO 936.15
    n-butyl acetate 925.83
    n-octanol 442.6
    chloroform 1287.89
    n-propyl acetate 611.55
    acetic acid 870.68
    dichloromethane 1270.94
    cyclohexanone 1771.12
    propylene glycol 253.52
    isopropyl acetate 643.8
    DMAc 580.66
    2-ethoxyethanol 753.16
    isopentanol 839.56
    n-heptane 497.98
    ethyl formate 658.39
    1,2-dichloroethane 959.42
    n-hexanol 1419.12
    2-methoxyethanol 1270.58
    isobutyl acetate 416.98
    tetrachloromethane 339.92
    n-pentyl acetate 458.95
    transcutol 1237.82
    n-heptanol 442.35
    ethylbenzene 247.3
    MIBK 698.03
    2-propoxyethanol 1472.13
    tert-butanol 954.16
    MTBE 1228.99
    2-butoxyethanol 548.65
    propionic acid 619.86
    o-xylene 263.47
    formic acid 293.26
    diethyl ether 2360.9
    m-xylene 429.45
    p-xylene 300.61
    chlorobenzene 529.07
    dimethyl carbonate 365.69
    n-octane 143.13
    formamide 349.38
    cyclopentanone 1928.21
    2-pentanone 1394.69
    anisole 446.7
    cyclopentyl methyl ether 1932.66
    gamma-butyrolactone 1638.49
    1-methoxy-2-propanol 862.55
    pyridine 1027.52
    3-pentanone 935.88
    furfural 838.08
    n-dodecane 84.69
    diethylene glycol 726.14
    diisopropyl ether 625.6
    tert-amyl alcohol 720.81
    acetylacetone 984.23
    n-hexadecane 97.02
    acetophenone 300.1
    methyl propionate 827.99
    isopentyl acetate 682.08
    trichloroethylene 1152.88
    n-nonanol 365.85
    cyclohexanol 1016.41
    benzyl alcohol 301.29
    2-ethylhexanol 671.31
    isooctanol 323.03
    dipropyl ether 1091.29
    1,2-dichlorobenzene 319.1
    ethyl lactate 191.53
    propylene carbonate 691.78
    n-methylformamide 648.61
    2-pentanol 793.62
    n-pentane 578.57
    1-propoxy-2-propanol 951.46
    1-methoxy-2-propyl acetate 647.7
    2-(2-methoxypropoxy) propanol 346.09
    mesitylene 256.9
    ε-caprolactone 1081.13
    p-cymene 183.15
    epichlorohydrin 1719.05
    1,1,1-trichloroethane 881.41
    2-aminoethanol 390.02
    morpholine-4-carbaldehyde 1047.78
    sulfolane 1134.27
    2,2,4-trimethylpentane 158.0
    2-methyltetrahydrofuran 2797.57
    n-hexyl acetate 633.69
    isooctane 162.24
    2-(2-butoxyethoxy)ethanol 546.05
    sec-butyl acetate 373.36
    tert-butyl acetate 692.36
    decalin 195.67
    glycerin 288.31
    diglyme 887.12
    acrylic acid 451.28
    isopropyl myristate 241.69
    n-butyric acid 830.75
    acetyl acetate 585.64
    di(2-ethylhexyl) phthalate 183.33
    ethyl propionate 466.04
    nitromethane 1191.06
    1,2-diethoxyethane 828.68
    benzonitrile 401.81
    trioctyl phosphate 172.58
    1-bromopropane 1031.95
    gamma-valerolactone 1626.18
    n-decanol 270.15
    triethyl phosphate 187.37
    4-methyl-2-pentanol 405.49
    propionitrile 754.29
    vinylene carbonate 564.27
    1,1,2-trichlorotrifluoroethane 566.68
    DMS 378.92
    cumene 167.92
    2-octanol 293.12
    2-hexanone 856.63
    octyl acetate 314.58
    limonene 381.43
    1,2-dimethoxyethane 1224.3
    ethyl orthosilicate 202.61
    tributyl phosphate 203.26
    diacetone alcohol 613.43
    N,N-dimethylaniline 252.1
    acrylonitrile 625.05
    aniline 491.94
    1,3-propanediol 640.54
    bromobenzene 497.79
    dibromomethane 1119.53
    1,1,2,2-tetrachloroethane 763.82
    2-methyl-cyclohexyl acetate 352.05
    tetrabutyl urea 236.87
    diisobutyl methanol 302.23
    2-phenylethanol 448.3
    styrene 302.77
    dioctyl adipate 263.08
    dimethyl sulfate 367.4
    ethyl butyrate 501.49
    methyl lactate 262.48
    butyl lactate 254.53
    diethyl carbonate 266.59
    propanediol butyl ether 364.33
    triethyl orthoformate 332.28
    p-tert-butyltoluene 189.91
    methyl 4-tert-butylbenzoate 291.94
    morpholine 2295.12
    tert-butylamine 712.21
    n-dodecanol 211.39
    dimethoxymethane 1375.36
    ethylene carbonate 569.14
    cyrene 300.54
    2-ethoxyethyl acetate 539.15
    2-ethylhexyl acetate 563.27
    1,2,4-trichlorobenzene 368.03
    4-methylpyridine 967.1
    dibutyl ether 571.37
    2,6-dimethyl-4-heptanol 302.23
    DEF 855.0
    dimethyl isosorbide 583.32
    tetrachloroethylene 543.11
    eugenol 266.2
    triacetin 325.13
    span 80 366.7
    1,4-butanediol 277.99
    1,1-dichloroethane 1030.26
    2-methyl-1-pentanol 595.84
    methyl formate 664.97
    2-methyl-1-butanol 796.66
    n-decane 149.56
    butyronitrile 948.27
    3,7-dimethyl-1-octanol 365.32
    1-chlorooctane 348.99
    1-chlorotetradecane 144.2
    n-nonane 177.33
    undecane 107.58
    tert-butylcyclohexane 192.07
    cyclooctane 300.29
    cyclopentanol 1011.74
    tetrahydropyran 2881.03
    tert-amyl methyl ether 867.44
    2,5,8-trioxanonane 554.95
    1-hexene 1051.61
    2-isopropoxyethanol 532.3
    2,2,2-trifluoroethanol 253.66
    methyl butyrate 586.62

    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