2-Methyl-2-methylsulfanylpropane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6163-64-0

    Molecular formula
    C5H12S

    SMILES
    CC(C)(C)SC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 87.25%
    Meaty 64.16%
    Vegetable 59.3%
    Alliaceous 46.38%
    Tropical 45.92%
    Green 45.7%
    Onion 44.46%
    Savory 42.8%
    Roasted 38.26%
    Garlic 37.81%

     

    Flavor
    Sulfurous 41.06%
    Green 40.69%
    Earthy 34.51%
    Pungent 30.17%
    Meaty 29.65%
    Vegetable 26.16%
    Fishy 26.08%
    Sulfury 25.74%
    Burnt 23.76%
    Blackberry 23.41%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    9.48 (weak base)

    Molecular weight
    104.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    101°C

    Flash point

    • -0.77 ˚C est.

  • Synonyms

    • 2-methyl-2-methylsulfanylpropane
    • RefChem:475167
    • 628-781-9
    • tert-Butyl methyl sulfide
    • 6163-64-0
    • Propane, 2-methyl-2-(methylthio)-
    • 3,3-Dimethyl-2-thiabutane
    • Sulfide, tert-butyl methyl
    • Methyl tert-butyl sulfide
    • 2-Methyl-2-(methylthio)propane
    • 2-Methyl-2-(methylsulfanyl)propane
    • MFCD00008840
    • 2GNH9VB6FM
    • NSC 97331
    • NSC-97331
    • tert-butyl(methyl)sulfane
    • tert-Butyl methyl sulphide
    • t-butyl methyl sulfide
    • Methyl t-butyl sulfide
    • UNII-2GNH9VB6FM
    • SCHEMBL40671
    • 97759-61-0
    • (CH3)3CSCH3
    • SCHEMBL152843
    • SCHEMBL3935353
    • SCHEMBL6571840
    • SCHEMBL18335409
    • tert-Butyl methyl sulfide, 97%
    • 1,1-Dimethylethyl methyl sulfide
    • DTXSID20210644
    • 2-Methyl-2-(methylthio)-propane
    • 2-methyl-2-methylsulfanyl-propane
    • NSC97331
    • 2-Methyl-2-(methylsulfanyl)propane #
    • AKOS015912962
    • AS-77696
    • DB-233946
    • B1475
    • CS-0326865
    • D88816
    • 6163-64-0

  • Applications

    2-Methyl-2-methylsulfanylpropane (CAS 6163-64-0) is a versatile building block in organic synthesis for sulfur-containing thioether compounds, commonly used as an intermediate to prepare such structures in chemical manufacture. In the fragrance and cosmetics sector, it may be employed as an odorant or fragrance precursor, contributing sulfur notes and supporting formulation. It can also serve as a specialty solvent or processing aid in industrial production and as a starting material for polymers/plastics that incorporate thioether linkages. Additionally, it may be considered for household product formulations and cleaning products at limited use levels, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 231.38
    methanol 170.93
    isopropanol 216.66
    water 1.79
    ethyl acetate 407.43
    n-propanol 245.61
    acetone 322.9
    n-butanol 254.6
    acetonitrile 232.45
    DMF 309.09
    toluene 283.41
    isobutanol 179.78
    1,4-dioxane 494.95
    methyl acetate 356.81
    THF 767.96
    2-butanone 386.12
    n-pentanol 162.98
    sec-butanol 264.6
    n-hexane 207.02
    ethylene glycol 61.0
    NMP 468.72
    cyclohexane 266.67
    DMSO 221.89
    n-butyl acetate 435.68
    n-octanol 286.91
    chloroform 896.26
    n-propyl acetate 228.54
    acetic acid 241.17
    dichloromethane 520.37
    cyclohexanone 481.31
    propylene glycol 126.22
    isopropyl acetate 313.61
    DMAc 418.92
    2-ethoxyethanol 210.36
    isopentanol 197.73
    n-heptane 358.68
    ethyl formate 172.54
    1,2-dichloroethane 289.14
    n-hexanol 412.0
    2-methoxyethanol 305.08
    isobutyl acetate 181.27
    tetrachloromethane 270.64
    n-pentyl acetate 272.58
    transcutol 725.72
    n-heptanol 279.45
    ethylbenzene 166.4
    MIBK 223.74
    2-propoxyethanol 486.7
    tert-butanol 295.15
    MTBE 372.86
    2-butoxyethanol 337.18
    propionic acid 274.18
    o-xylene 215.12
    formic acid 65.46
    diethyl ether 403.44
    m-xylene 216.72
    p-xylene 201.36
    chlorobenzene 278.5
    dimethyl carbonate 152.12
    n-octane 122.14
    formamide 93.92
    cyclopentanone 573.89
    2-pentanone 339.29
    anisole 277.96
    cyclopentyl methyl ether 514.92
    gamma-butyrolactone 515.13
    1-methoxy-2-propanol 349.89
    pyridine 378.87
    3-pentanone 346.3
    furfural 396.5
    n-dodecane 80.72
    diethylene glycol 244.04
    diisopropyl ether 230.27
    tert-amyl alcohol 330.8
    acetylacetone 331.94
    n-hexadecane 87.98
    acetophenone 239.43
    methyl propionate 331.75
    isopentyl acetate 359.99
    trichloroethylene 542.1
    n-nonanol 268.61
    cyclohexanol 300.14
    benzyl alcohol 168.14
    2-ethylhexanol 356.19
    isooctanol 217.5
    dipropyl ether 537.68
    1,2-dichlorobenzene 273.61
    ethyl lactate 151.58
    propylene carbonate 339.12
    n-methylformamide 165.45
    2-pentanol 253.13
    n-pentane 195.69
    1-propoxy-2-propanol 520.03
    1-methoxy-2-propyl acetate 420.32
    2-(2-methoxypropoxy) propanol 315.9
    mesitylene 162.98
    ε-caprolactone 441.76
    p-cymene 220.9
    epichlorohydrin 444.82
    1,1,1-trichloroethane 522.97
    2-aminoethanol 129.38
    morpholine-4-carbaldehyde 416.4
    sulfolane 492.84
    2,2,4-trimethylpentane 104.69
    2-methyltetrahydrofuran 619.86
    n-hexyl acetate 386.3
    isooctane 82.79
    2-(2-butoxyethoxy)ethanol 401.79
    sec-butyl acetate 218.24
    tert-butyl acetate 373.33
    decalin 128.39
    glycerin 143.45
    diglyme 583.92
    acrylic acid 214.86
    isopropyl myristate 215.58
    n-butyric acid 319.49
    acetyl acetate 310.54
    di(2-ethylhexyl) phthalate 151.84
    ethyl propionate 264.53
    nitromethane 303.87
    1,2-diethoxyethane 372.19
    benzonitrile 202.55
    trioctyl phosphate 133.73
    1-bromopropane 320.26
    gamma-valerolactone 544.65
    n-decanol 205.06
    triethyl phosphate 193.53
    4-methyl-2-pentanol 166.89
    propionitrile 253.67
    vinylene carbonate 274.63
    1,1,2-trichlorotrifluoroethane 400.18
    DMS 248.35
    cumene 129.97
    2-octanol 206.97
    2-hexanone 251.14
    octyl acetate 260.91
    limonene 330.02
    1,2-dimethoxyethane 306.2
    ethyl orthosilicate 200.11
    tributyl phosphate 145.39
    diacetone alcohol 324.98
    N,N-dimethylaniline 212.33
    acrylonitrile 242.19
    aniline 264.13
    1,3-propanediol 157.32
    bromobenzene 301.18
    dibromomethane 453.46
    1,1,2,2-tetrachloroethane 546.51
    2-methyl-cyclohexyl acetate 308.04
    tetrabutyl urea 179.51
    diisobutyl methanol 238.28
    2-phenylethanol 266.53
    styrene 192.79
    dioctyl adipate 240.65
    dimethyl sulfate 197.17
    ethyl butyrate 368.82
    methyl lactate 198.28
    butyl lactate 224.78
    diethyl carbonate 246.93
    propanediol butyl ether 262.33
    triethyl orthoformate 323.63
    p-tert-butyltoluene 244.61
    methyl 4-tert-butylbenzoate 335.39
    morpholine 525.71
    tert-butylamine 252.24
    n-dodecanol 163.3
    dimethoxymethane 256.13
    ethylene carbonate 246.53
    cyrene 228.38
    2-ethoxyethyl acetate 302.37
    2-ethylhexyl acetate 339.08
    1,2,4-trichlorobenzene 341.36
    4-methylpyridine 333.29
    dibutyl ether 355.84
    2,6-dimethyl-4-heptanol 238.28
    DEF 334.82
    dimethyl isosorbide 478.32
    tetrachloroethylene 365.71
    eugenol 256.38
    triacetin 367.15
    span 80 368.91
    1,4-butanediol 69.84
    1,1-dichloroethane 399.6
    2-methyl-1-pentanol 155.35
    methyl formate 127.44
    2-methyl-1-butanol 208.81
    n-decane 133.3
    butyronitrile 250.42
    3,7-dimethyl-1-octanol 256.2
    1-chlorooctane 269.31
    1-chlorotetradecane 125.55
    n-nonane 141.99
    undecane 100.37
    tert-butylcyclohexane 126.82
    cyclooctane 153.79
    cyclopentanol 319.78
    tetrahydropyran 607.01
    tert-amyl methyl ether 377.67
    2,5,8-trioxanonane 419.1
    1-hexene 280.76
    2-isopropoxyethanol 195.61
    2,2,2-trifluoroethanol 125.06
    methyl butyrate 277.65

    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