2-Methylpentane-2-thiol

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  • Identifiers

    CAS number
    1633-97-2

    Molecular formula
    C6H14S

    SMILES
    CCCC(C)(C)S

  • Odor profile

    Fragrance
    Sulfurous 93.64%
    Meaty 80.41%
    Roasted 59.07%
    Tropical 57.79%
    Savory 53.15%
    Vegetable 52.34%
    Onion 50.81%
    Alliaceous 39.85%
    Garlic 38.63%
    Burnt 34.85%

     

    Flavor
    Sulfurous 52.51%
    Meaty 40.25%
    Sulfury 36.52%
    Onion 30.6%
    Fishy 28.33%
    Burnt 25.56%
    Gassy 24.99%
    Woody 24.78%
    Pungent 24.44%
    Catty 24.44%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    10.35 (weak base)

    Molecular weight
    118.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    121°C

    Flash point

    • 18.21 ˚C est.

  • Synonyms

    • 2-Methylpentane-2-thiol
    • 1633-97-2
    • 2-Methyl-2-pentanethiol
    • 2-PENTANETHIOL, 2-METHYL-
    • tert-Hexanethiol
    • 26544-02-5
    • YRZ9KLW85B
    • tert-Hexanethiol(7CI,9CI)
    • T-Hexyl Mercaptan
    • EINECS 216-651-0
    • EINECS 247-771-1
    • UNII-YRZ9KLW85B
    • SCHEMBL23906
    • DTXSID00167561
    • 1,1-Dimethylbutyl hydrosulfide #
    • BAA63397
    • AKOS006279127
    • NS00025334
    • EN300-179951

  • Applications

    2-Methylpentane-2-thiol (CAS 1633-97-2) is primarily used as an odorant for natural gas and LPG to provide a detectable sulfurous scent for leak detection; it may also serve as a fragrance raw material or trace odorant in perfumery and flavor applications; it functions as a chemical intermediate in the synthesis of sulfur-containing compounds such as thioesters and related mercaptans in industrial manufacturing; and it is used in research and development as well as a reference material for analytical methods evaluating thiol reactivity and odor properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 586.29
    methanol 514.73
    isopropanol 476.61
    water 1.42
    ethyl acetate 400.19
    n-propanol 540.08
    acetone 391.35
    n-butanol 624.49
    acetonitrile 215.64
    DMF 284.33
    toluene 273.74
    isobutanol 405.51
    1,4-dioxane 687.8
    methyl acetate 339.42
    THF 1179.92
    2-butanone 452.68
    n-pentanol 379.64
    sec-butanol 569.23
    n-hexane 476.96
    ethylene glycol 105.49
    NMP 463.1
    cyclohexane 500.29
    DMSO 228.52
    n-butyl acetate 666.89
    n-octanol 505.8
    chloroform 627.54
    n-propyl acetate 262.91
    acetic acid 325.91
    dichloromethane 398.51
    cyclohexanone 648.7
    propylene glycol 196.08
    isopropyl acetate 317.22
    DMAc 345.25
    2-ethoxyethanol 320.46
    isopentanol 492.89
    n-heptane 720.57
    ethyl formate 184.64
    1,2-dichloroethane 263.11
    n-hexanol 1173.04
    2-methoxyethanol 509.54
    isobutyl acetate 233.18
    tetrachloromethane 225.16
    n-pentyl acetate 365.13
    transcutol 1000.9
    n-heptanol 506.62
    ethylbenzene 155.93
    MIBK 308.86
    2-propoxyethanol 896.32
    tert-butanol 625.99
    MTBE 756.48
    2-butoxyethanol 479.85
    propionic acid 292.95
    o-xylene 206.2
    formic acid 89.89
    diethyl ether 742.44
    m-xylene 216.41
    p-xylene 195.48
    chlorobenzene 231.3
    dimethyl carbonate 94.91
    n-octane 193.92
    formamide 73.06
    cyclopentanone 587.57
    2-pentanone 455.22
    anisole 227.52
    cyclopentyl methyl ether 765.02
    gamma-butyrolactone 452.4
    1-methoxy-2-propanol 457.36
    pyridine 334.67
    3-pentanone 368.45
    furfural 305.51
    n-dodecane 111.98
    diethylene glycol 412.13
    diisopropyl ether 362.07
    tert-amyl alcohol 691.23
    acetylacetone 305.5
    n-hexadecane 120.26
    acetophenone 179.05
    methyl propionate 288.36
    isopentyl acetate 572.38
    trichloroethylene 393.97
    n-nonanol 439.93
    cyclohexanol 638.13
    benzyl alcohol 159.98
    2-ethylhexanol 823.66
    isooctanol 374.01
    dipropyl ether 852.74
    1,2-dichlorobenzene 195.19
    ethyl lactate 137.35
    propylene carbonate 301.08
    n-methylformamide 152.11
    2-pentanol 519.78
    n-pentane 436.06
    1-propoxy-2-propanol 893.12
    1-methoxy-2-propyl acetate 481.99
    2-(2-methoxypropoxy) propanol 399.82
    mesitylene 168.04
    ε-caprolactone 557.83
    p-cymene 220.05
    epichlorohydrin 437.05
    1,1,1-trichloroethane 390.12
    2-aminoethanol 220.27
    morpholine-4-carbaldehyde 443.95
    sulfolane 432.87
    2,2,4-trimethylpentane 199.21
    2-methyltetrahydrofuran 1031.22
    n-hexyl acetate 583.42
    isooctane 154.45
    2-(2-butoxyethoxy)ethanol 521.04
    sec-butyl acetate 231.07
    tert-butyl acetate 419.5
    decalin 180.54
    glycerin 210.73
    diglyme 675.21
    acrylic acid 179.51
    isopropyl myristate 263.51
    n-butyric acid 441.2
    acetyl acetate 235.23
    di(2-ethylhexyl) phthalate 187.7
    ethyl propionate 236.54
    nitromethane 247.36
    1,2-diethoxyethane 556.12
    benzonitrile 183.52
    trioctyl phosphate 185.05
    1-bromopropane 425.43
    gamma-valerolactone 565.59
    n-decanol 329.27
    triethyl phosphate 178.58
    4-methyl-2-pentanol 318.84
    propionitrile 265.83
    vinylene carbonate 197.04
    1,1,2-trichlorotrifluoroethane 316.74
    DMS 211.67
    cumene 126.4
    2-octanol 349.59
    2-hexanone 371.57
    octyl acetate 322.54
    limonene 444.39
    1,2-dimethoxyethane 491.79
    ethyl orthosilicate 206.02
    tributyl phosphate 210.48
    diacetone alcohol 410.36
    N,N-dimethylaniline 176.55
    acrylonitrile 177.19
    aniline 251.6
    1,3-propanediol 298.61
    bromobenzene 244.86
    dibromomethane 399.4
    1,1,2,2-tetrachloroethane 395.25
    2-methyl-cyclohexyl acetate 383.25
    tetrabutyl urea 248.78
    diisobutyl methanol 390.84
    2-phenylethanol 332.73
    styrene 163.66
    dioctyl adipate 270.41
    dimethyl sulfate 112.06
    ethyl butyrate 394.39
    methyl lactate 146.79
    butyl lactate 279.3
    diethyl carbonate 218.11
    propanediol butyl ether 419.31
    triethyl orthoformate 340.31
    p-tert-butyltoluene 241.3
    methyl 4-tert-butylbenzoate 290.81
    morpholine 803.52
    tert-butylamine 546.76
    n-dodecanol 256.86
    dimethoxymethane 316.6
    ethylene carbonate 200.19
    cyrene 241.61
    2-ethoxyethyl acetate 341.07
    2-ethylhexyl acetate 519.67
    1,2,4-trichlorobenzene 231.6
    4-methylpyridine 353.86
    dibutyl ether 606.08
    2,6-dimethyl-4-heptanol 390.84
    DEF 383.23
    dimethyl isosorbide 532.36
    tetrachloroethylene 292.44
    eugenol 249.73
    triacetin 324.6
    span 80 452.05
    1,4-butanediol 128.48
    1,1-dichloroethane 354.69
    2-methyl-1-pentanol 351.78
    methyl formate 108.68
    2-methyl-1-butanol 511.15
    n-decane 205.82
    butyronitrile 350.05
    3,7-dimethyl-1-octanol 471.66
    1-chlorooctane 364.41
    1-chlorotetradecane 159.65
    n-nonane 231.74
    undecane 144.42
    tert-butylcyclohexane 209.92
    cyclooctane 254.43
    cyclopentanol 556.05
    tetrahydropyran 1031.84
    tert-amyl methyl ether 665.34
    2,5,8-trioxanonane 492.53
    1-hexene 585.57
    2-isopropoxyethanol 295.33
    2,2,2-trifluoroethanol 91.53
    methyl butyrate 278.89

    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