3-Methyl-2-butanethiol

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  • Identifiers

    CAS number
    2084-18-6

    Molecular formula
    C5H12S

    SMILES
    CC(C)C(C)S

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sulfurous 92.15%
    Meaty 83.2%
    Roasted 66.79%
    Savory 61.96%
    Onion 61.06%
    Vegetable 48.51%
    Coffee 48.38%
    Burnt 46.73%
    Alliaceous 45.76%
    Tropical 45.72%

     

    Flavor
    Sulfurous 50.83%
    Meaty 48.72%
    Onion 41.88%
    Fishy 32.0%
    Sulfury 30.75%
    Gassy 25.07%
    Ammoniacal 24.51%
    Bloody 24.15%
    Glue 24.04%
    Skunky 21.61%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    10.7 (weak base)

    Molecular weight
    104.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 117.00 to 118.00 °C. @ 760.00 mm Hg

    Flash point

    • 5.32 ˚C est.

    Solubility expt.

    • insoluble in water, miscible with alcohol and ether

  • Synonyms

    • 3-Methyl-2-butanethiol
    • 2084-18-6
    • 2-Butanethiol, 3-methyl-
    • 3-Methylbutane-2-thiol
    • 3-methyl-2-butane thiol
    • FEMA No. 3304
    • 3-Methyl-2-butylthiol
    • EINECS 218-223-9
    • JE3PR84J0B
    • UNII-JE3PR84J0B
    • DTXSID40862826
    • (+/-)-3-METHYL-2-BUTANETHIOL
    • MFCD00039648
    • 3-Methyl-2-butyl Mercaptan
    • SCHEMBL24505
    • 1,2-Dimethylpropyl hydrosulfide
    • FEMA 3304
    • DTXCID10811543
    • CHEBI:173327
    • 1,2-Dimethylpropyl hydrosulfide #
    • 3-Methyl-2-butanethiol, >=98%
    • AKOS009157818
    • LS-13101
    • DB-003408
    • M2141
    • NS00045357
    • EN300-95058
    • D91580
    • Q27281466

  • Applications

    3-Methyl-2-butanethiol (CAS 2084-18-6) is an organosulfur compound primarily employed as an odorant for gas odorization to enable leak detection; it is also evaluated as a fragrance note in perfumery and personal care formulations, where its sulfurous character can contribute to specific notes; as a chemical intermediate, it serves in the synthesis of thioether and thioester derivatives in industrial manufacturing; it may appear as a trace fragrance ingredient in household products or cosmetics under formulation limits; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 159.5
    methanol 111.81
    isopropanol 143.29
    water 0.49
    ethyl acetate 173.07
    n-propanol 150.93
    acetone 134.44
    n-butanol 169.6
    acetonitrile 115.23
    DMF 98.58
    toluene 95.3
    isobutanol 105.37
    1,4-dioxane 270.64
    methyl acetate 145.43
    THF 399.71
    2-butanone 178.32
    n-pentanol 118.82
    sec-butanol 161.7
    n-hexane 72.91
    ethylene glycol 25.19
    NMP 140.33
    cyclohexane 85.5
    DMSO 104.77
    n-butyl acetate 211.84
    n-octanol 129.28
    chloroform 375.46
    n-propyl acetate 108.01
    acetic acid 106.74
    dichloromethane 222.14
    cyclohexanone 197.72
    propylene glycol 56.29
    isopropyl acetate 124.77
    DMAc 139.57
    2-ethoxyethanol 127.64
    isopentanol 135.15
    n-heptane 100.64
    ethyl formate 74.9
    1,2-dichloroethane 131.13
    n-hexanol 240.1
    2-methoxyethanol 170.83
    isobutyl acetate 77.64
    tetrachloromethane 122.95
    n-pentyl acetate 133.73
    transcutol 437.92
    n-heptanol 137.47
    ethylbenzene 62.58
    MIBK 98.84
    2-propoxyethanol 254.18
    tert-butanol 195.49
    MTBE 199.78
    2-butoxyethanol 172.53
    propionic acid 108.11
    o-xylene 75.13
    formic acid 25.07
    diethyl ether 216.46
    m-xylene 71.49
    p-xylene 78.73
    chlorobenzene 112.29
    dimethyl carbonate 38.9
    n-octane 36.85
    formamide 38.58
    cyclopentanone 223.56
    2-pentanone 150.41
    anisole 114.83
    cyclopentyl methyl ether 183.06
    gamma-butyrolactone 177.71
    1-methoxy-2-propanol 164.46
    pyridine 192.92
    3-pentanone 126.8
    furfural 163.54
    n-dodecane 23.47
    diethylene glycol 130.15
    diisopropyl ether 87.85
    tert-amyl alcohol 198.77
    acetylacetone 134.88
    n-hexadecane 25.34
    acetophenone 94.58
    methyl propionate 109.94
    isopentyl acetate 166.01
    trichloroethylene 248.44
    n-nonanol 122.24
    cyclohexanol 136.15
    benzyl alcohol 83.07
    2-ethylhexanol 171.21
    isooctanol 107.24
    dipropyl ether 212.13
    1,2-dichlorobenzene 100.84
    ethyl lactate 57.04
    propylene carbonate 122.29
    n-methylformamide 56.7
    2-pentanol 142.5
    n-pentane 74.27
    1-propoxy-2-propanol 235.0
    1-methoxy-2-propyl acetate 160.97
    2-(2-methoxypropoxy) propanol 151.3
    mesitylene 52.64
    ε-caprolactone 182.1
    p-cymene 77.05
    epichlorohydrin 185.93
    1,1,1-trichloroethane 222.13
    2-aminoethanol 63.93
    morpholine-4-carbaldehyde 163.42
    sulfolane 175.15
    2,2,4-trimethylpentane 36.68
    2-methyltetrahydrofuran 299.4
    n-hexyl acetate 169.93
    isooctane 26.38
    2-(2-butoxyethoxy)ethanol 210.79
    sec-butyl acetate 92.24
    tert-butyl acetate 145.22
    decalin 39.55
    glycerin 62.07
    diglyme 300.34
    acrylic acid 79.21
    isopropyl myristate 84.18
    n-butyric acid 168.81
    acetyl acetate 109.26
    di(2-ethylhexyl) phthalate 68.87
    ethyl propionate 99.45
    nitromethane 115.64
    1,2-diethoxyethane 226.41
    benzonitrile 100.04
    trioctyl phosphate 55.5
    1-bromopropane 154.94
    gamma-valerolactone 203.83
    n-decanol 92.23
    triethyl phosphate 73.99
    4-methyl-2-pentanol 90.51
    propionitrile 118.41
    vinylene carbonate 97.59
    1,1,2-trichlorotrifluoroethane 155.11
    DMS 86.37
    cumene 51.66
    2-octanol 97.22
    2-hexanone 125.45
    octyl acetate 106.05
    limonene 116.6
    1,2-dimethoxyethane 196.82
    ethyl orthosilicate 80.73
    tributyl phosphate 62.58
    diacetone alcohol 156.6
    N,N-dimethylaniline 80.51
    acrylonitrile 102.52
    aniline 112.0
    1,3-propanediol 99.22
    bromobenzene 113.05
    dibromomethane 189.38
    1,1,2,2-tetrachloroethane 227.76
    2-methyl-cyclohexyl acetate 121.1
    tetrabutyl urea 71.36
    diisobutyl methanol 100.38
    2-phenylethanol 129.66
    styrene 71.99
    dioctyl adipate 94.34
    dimethyl sulfate 51.28
    ethyl butyrate 155.66
    methyl lactate 60.65
    butyl lactate 100.61
    diethyl carbonate 97.59
    propanediol butyl ether 129.74
    triethyl orthoformate 132.76
    p-tert-butyltoluene 82.21
    methyl 4-tert-butylbenzoate 121.43
    morpholine 282.86
    tert-butylamine 156.11
    n-dodecanol 70.81
    dimethoxymethane 96.68
    ethylene carbonate 89.85
    cyrene 100.55
    2-ethoxyethyl acetate 148.75
    2-ethylhexyl acetate 149.79
    1,2,4-trichlorobenzene 125.37
    4-methylpyridine 157.19
    dibutyl ether 156.72
    2,6-dimethyl-4-heptanol 100.38
    DEF 127.98
    dimethyl isosorbide 208.31
    tetrachloroethylene 168.44
    eugenol 114.97
    triacetin 133.16
    span 80 161.08
    1,4-butanediol 41.9
    1,1-dichloroethane 182.27
    2-methyl-1-pentanol 118.92
    methyl formate 40.08
    2-methyl-1-butanol 128.96
    n-decane 41.65
    butyronitrile 139.68
    3,7-dimethyl-1-octanol 124.88
    1-chlorooctane 96.17
    1-chlorotetradecane 42.7
    n-nonane 42.72
    undecane 29.88
    tert-butylcyclohexane 39.67
    cyclooctane 39.5
    cyclopentanol 138.74
    tetrahydropyran 299.83
    tert-amyl methyl ether 162.38
    2,5,8-trioxanonane 207.62
    1-hexene 135.44
    2-isopropoxyethanol 119.07
    2,2,2-trifluoroethanol 43.27
    methyl butyrate 112.65

    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