2-Methyl-2-(methylsulfanyl)butane

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  • Identifiers

    CAS number
    13286-92-5

    Molecular formula
    C6H14S

    SMILES
    CCC(C)(C)SC

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 84.91%
    Meaty 62.76%
    Vegetable 61.67%
    Green 56.4%
    Tropical 47.77%
    Alliaceous 46.96%
    Onion 45.29%
    Savory 43.81%
    Roasted 36.56%
    Garlic 35.84%

     

    Flavor
    Green 49.53%
    Sulfurous 39.56%
    Earthy 33.36%
    Meaty 28.66%
    Sulfury 25.83%
    Woody 25.11%
    Vegetable 25.04%
    Burnt 23.5%
    Blackberry 23.44%
    Pungent 23.09%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    9.12 (weak base)

    Molecular weight
    118.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    129°C

    Flash point

    • 15.83 ˚C est.

  • Synonyms

    • 13286-92-5
    • 2-Methyl-2-(methylsulfanyl)butane
    • DTXSID20927846
    • RefChem:1063669
    • DTXCID001356626
    • Sulfide, methyl tert-pentyl
    • 2-methyl-2-methylsulfanylbutane
    • TERT-AMYL METHYL SULPHIDE
    • 2-Methyl-2-(methylthio)-butane
    • Butane, 2-methyl-2-(methylthio)-
    • methyl t-pentyl sulfide
    • 3,3-dimethyl-2-thiapentane
    • SCHEMBL290885
    • SCHEMBL290886
    • SCHEMBL356223
    • SJOHDSPLOVBXOF-UHFFFAOYSA-N
    • 13286-92-5

  • Applications

    2-Methyl-2-(methylsulfanyl)butane (CAS 13286-92-5) is a branched, sulfur-containing compound with a methylthio group, commonly used as an intermediate in organic synthesis and as a potential odorant in fragrance formulations. In perfumery and cosmetics, it may be evaluated as a sulfurous note or as a precursor to more complex fragrance ingredients. In flavor science, it may be evaluated for contribution to aroma profiles. In industrial manufacturing, it serves as a building block for specialty chemicals and may be used as a co-solvent or process intermediate in chemical syntheses. In coatings, inks and adhesives, it can serve as an intermediate to access sulfur-containing backbones or to introduce thioether functionality. Overall, its use is typically as an intermediate or odorant in formulation development, with handling and regulatory considerations depending on local restrictions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 314.45
    methanol 218.73
    isopropanol 259.25
    water 0.48
    ethyl acetate 626.25
    n-propanol 329.34
    acetone 334.43
    n-butanol 394.99
    acetonitrile 274.32
    DMF 246.24
    toluene 437.08
    isobutanol 230.89
    1,4-dioxane 851.54
    methyl acetate 418.16
    THF 1202.95
    2-butanone 486.47
    n-pentanol 274.01
    sec-butanol 351.03
    n-hexane 279.24
    ethylene glycol 35.47
    NMP 440.14
    cyclohexane 448.38
    DMSO 218.49
    n-butyl acetate 978.01
    n-octanol 366.55
    chloroform 1174.73
    n-propyl acetate 370.61
    acetic acid 215.24
    dichloromethane 761.82
    cyclohexanone 753.03
    propylene glycol 81.32
    isopropyl acetate 458.74
    DMAc 352.76
    2-ethoxyethanol 301.29
    isopentanol 317.49
    n-heptane 562.8
    ethyl formate 262.59
    1,2-dichloroethane 433.53
    n-hexanol 705.34
    2-methoxyethanol 387.88
    isobutyl acetate 270.82
    tetrachloromethane 405.28
    n-pentyl acetate 496.33
    transcutol 1215.54
    n-heptanol 379.01
    ethylbenzene 221.3
    MIBK 313.07
    2-propoxyethanol 710.72
    tert-butanol 369.5
    MTBE 617.64
    2-butoxyethanol 431.52
    propionic acid 246.11
    o-xylene 297.21
    formic acid 47.66
    diethyl ether 744.56
    m-xylene 302.02
    p-xylene 265.9
    chlorobenzene 430.7
    dimethyl carbonate 119.9
    n-octane 163.41
    formamide 74.07
    cyclopentanone 701.03
    2-pentanone 473.91
    anisole 383.46
    cyclopentyl methyl ether 774.09
    gamma-butyrolactone 601.21
    1-methoxy-2-propanol 374.43
    pyridine 618.17
    3-pentanone 431.6
    furfural 500.55
    n-dodecane 89.29
    diethylene glycol 274.6
    diisopropyl ether 358.5
    tert-amyl alcohol 463.84
    acetylacetone 382.13
    n-hexadecane 100.07
    acetophenone 293.11
    methyl propionate 372.44
    isopentyl acetate 748.17
    trichloroethylene 808.33
    n-nonanol 353.83
    cyclohexanol 458.95
    benzyl alcohol 212.05
    2-ethylhexanol 672.03
    isooctanol 306.24
    dipropyl ether 983.04
    1,2-dichlorobenzene 398.66
    ethyl lactate 153.27
    propylene carbonate 436.88
    n-methylformamide 154.53
    2-pentanol 361.57
    n-pentane 276.44
    1-propoxy-2-propanol 774.82
    1-methoxy-2-propyl acetate 649.98
    2-(2-methoxypropoxy) propanol 398.61
    mesitylene 225.92
    ε-caprolactone 700.12
    p-cymene 325.76
    epichlorohydrin 632.52
    1,1,1-trichloroethane 746.8
    2-aminoethanol 108.93
    morpholine-4-carbaldehyde 496.03
    sulfolane 517.87
    2,2,4-trimethylpentane 132.55
    2-methyltetrahydrofuran 1001.0
    n-hexyl acetate 574.4
    isooctane 113.19
    2-(2-butoxyethoxy)ethanol 546.36
    sec-butyl acetate 340.62
    tert-butyl acetate 522.35
    decalin 192.52
    glycerin 96.25
    diglyme 869.42
    acrylic acid 159.6
    isopropyl myristate 289.34
    n-butyric acid 494.78
    acetyl acetate 362.69
    di(2-ethylhexyl) phthalate 183.94
    ethyl propionate 362.7
    nitromethane 283.32
    1,2-diethoxyethane 836.81
    benzonitrile 310.11
    trioctyl phosphate 165.78
    1-bromopropane 522.54
    gamma-valerolactone 739.33
    n-decanol 260.67
    triethyl phosphate 290.52
    4-methyl-2-pentanol 236.69
    propionitrile 339.46
    vinylene carbonate 350.38
    1,1,2-trichlorotrifluoroethane 413.79
    DMS 277.0
    cumene 177.22
    2-octanol 273.95
    2-hexanone 379.6
    octyl acetate 338.35
    limonene 555.68
    1,2-dimethoxyethane 509.39
    ethyl orthosilicate 334.91
    tributyl phosphate 208.34
    diacetone alcohol 377.87
    N,N-dimethylaniline 257.96
    acrylonitrile 273.36
    aniline 365.57
    1,3-propanediol 188.92
    bromobenzene 481.16
    dibromomethane 609.46
    1,1,2,2-tetrachloroethane 754.29
    2-methyl-cyclohexyl acetate 489.89
    tetrabutyl urea 227.43
    diisobutyl methanol 367.64
    2-phenylethanol 388.55
    styrene 263.03
    dioctyl adipate 311.21
    dimethyl sulfate 148.5
    ethyl butyrate 707.46
    methyl lactate 150.74
    butyl lactate 302.32
    diethyl carbonate 411.88
    propanediol butyl ether 298.73
    triethyl orthoformate 612.78
    p-tert-butyltoluene 341.2
    methyl 4-tert-butylbenzoate 367.1
    morpholine 842.51
    tert-butylamine 350.08
    n-dodecanol 202.52
    dimethoxymethane 299.28
    ethylene carbonate 333.3
    cyrene 263.04
    2-ethoxyethyl acetate 506.53
    2-ethylhexyl acetate 728.44
    1,2,4-trichlorobenzene 455.59
    4-methylpyridine 549.31
    dibutyl ether 654.68
    2,6-dimethyl-4-heptanol 367.64
    DEF 452.14
    dimethyl isosorbide 647.4
    tetrachloroethylene 530.7
    eugenol 299.76
    triacetin 411.15
    span 80 419.95
    1,4-butanediol 72.63
    1,1-dichloroethane 569.42
    2-methyl-1-pentanol 266.43
    methyl formate 114.63
    2-methyl-1-butanol 322.1
    n-decane 166.27
    butyronitrile 438.66
    3,7-dimethyl-1-octanol 388.09
    1-chlorooctane 357.32
    1-chlorotetradecane 145.7
    n-nonane 181.18
    undecane 116.43
    tert-butylcyclohexane 182.45
    cyclooctane 231.21
    cyclopentanol 373.8
    tetrahydropyran 1090.26
    tert-amyl methyl ether 576.01
    2,5,8-trioxanonane 604.09
    1-hexene 431.4
    2-isopropoxyethanol 266.6
    2,2,2-trifluoroethanol 87.31
    methyl butyrate 398.77

    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