(S)-2-Methyl-1-butanethiol

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  • Identifiers

    CAS number
    20089-07-0

    Molecular formula
    C5H12S

    SMILES
    CC[C@H](C)CS

  • Odor profile

    Fragrance
    Sulfurous 91.01%
    Meaty 79.04%
    Onion 66.41%
    Vegetable 60.47%
    Savory 60.36%
    Garlic 58.84%
    Roasted 56.84%
    Alliaceous 55.55%
    Coffee 39.62%
    Cooked 39.6%

     

    Flavor
    Sulfurous 56.6%
    Onion 50.63%
    Meaty 48.04%
    Fishy 36.93%
    Sulfury 36.79%
    Garlic 29.35%
    Gassy 27.55%
    Burnt 26.6%
    Bloody 26.4%
    Glue 25.7%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    10.17 (weak base)

    Molecular weight
    104.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    116°C

    Flash point

    • 14.79 ˚C est.

  • Synonyms

    • (2S)-2-methylbutane-1-thiol
    • (S)-2-Methyl-1-butanethiol
    • 20089-07-0
    • (S)-2-Methylbutane-1-thiol
    • (2S)-2-methyl-1-butanethiol
    • SCHEMBL20446708
    • WGQKBCSACFQGQY-YFKPBYRVSA-N
    • A813178

  • Applications

    (S)-2-Methyl-1-butanethiol, CAS 20089-07-0, is used primarily as a sulfur-containing odorant and synthetic intermediate: it can serve as a fragrance ingredient and odorant in perfumery and cosmetics, is evaluated for inclusion in flavor/aroma formulations, and can be used as a chemical intermediate for sulfur-containing compounds in industrial manufacturing; in addition, it may be employed in polymer and materials chemistry as a functional modifier or building block, with use governed by formulation considerations and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 461.7
    methanol 380.76
    isopropanol 326.6
    water 0.21
    ethyl acetate 346.92
    n-propanol 398.19
    acetone 341.46
    n-butanol 510.06
    acetonitrile 208.35
    DMF 147.91
    toluene 174.57
    isobutanol 240.93
    1,4-dioxane 631.77
    methyl acetate 232.4
    THF 1165.94
    2-butanone 365.79
    n-pentanol 294.97
    sec-butanol 323.57
    n-hexane 166.67
    ethylene glycol 38.65
    NMP 206.07
    cyclohexane 231.3
    DMSO 282.65
    n-butyl acetate 819.93
    n-octanol 173.01
    chloroform 668.79
    n-propyl acetate 258.18
    acetic acid 217.02
    dichloromethane 495.96
    cyclohexanone 530.0
    propylene glycol 63.73
    isopropyl acetate 222.24
    DMAc 118.94
    2-ethoxyethanol 237.65
    isopentanol 343.02
    n-heptane 283.16
    ethyl formate 176.48
    1,2-dichloroethane 318.54
    n-hexanol 666.76
    2-methoxyethanol 345.84
    isobutyl acetate 160.75
    tetrachloromethane 222.88
    n-pentyl acetate 250.26
    transcutol 903.47
    n-heptanol 216.5
    ethylbenzene 73.6
    MIBK 203.64
    2-propoxyethanol 573.0
    tert-butanol 379.76
    MTBE 399.41
    2-butoxyethanol 275.52
    propionic acid 172.96
    o-xylene 88.87
    formic acid 48.17
    diethyl ether 666.66
    m-xylene 102.45
    p-xylene 94.08
    chlorobenzene 211.47
    dimethyl carbonate 36.31
    n-octane 65.44
    formamide 55.87
    cyclopentanone 471.14
    2-pentanone 382.26
    anisole 136.98
    cyclopentyl methyl ether 437.3
    gamma-butyrolactone 352.28
    1-methoxy-2-propanol 253.83
    pyridine 412.98
    3-pentanone 232.62
    furfural 297.93
    n-dodecane 32.17
    diethylene glycol 260.61
    diisopropyl ether 178.21
    tert-amyl alcohol 308.14
    acetylacetone 240.6
    n-hexadecane 35.27
    acetophenone 108.65
    methyl propionate 163.89
    isopentyl acetate 515.1
    trichloroethylene 459.81
    n-nonanol 157.4
    cyclohexanol 330.78
    benzyl alcohol 109.54
    2-ethylhexanol 405.02
    isooctanol 164.01
    dipropyl ether 624.98
    1,2-dichlorobenzene 158.96
    ethyl lactate 66.08
    propylene carbonate 207.12
    n-methylformamide 96.7
    2-pentanol 295.99
    n-pentane 182.15
    1-propoxy-2-propanol 498.32
    1-methoxy-2-propyl acetate 320.64
    2-(2-methoxypropoxy) propanol 192.31
    mesitylene 71.02
    ε-caprolactone 399.39
    p-cymene 113.23
    epichlorohydrin 412.58
    1,1,1-trichloroethane 356.97
    2-aminoethanol 103.04
    morpholine-4-carbaldehyde 270.03
    sulfolane 319.71
    2,2,4-trimethylpentane 54.86
    2-methyltetrahydrofuran 790.85
    n-hexyl acetate 259.53
    isooctane 48.87
    2-(2-butoxyethoxy)ethanol 303.02
    sec-butyl acetate 163.06
    tert-butyl acetate 235.73
    decalin 60.77
    glycerin 77.34
    diglyme 484.45
    acrylic acid 105.29
    isopropyl myristate 109.69
    n-butyric acid 363.8
    acetyl acetate 165.42
    di(2-ethylhexyl) phthalate 84.47
    ethyl propionate 160.47
    nitromethane 211.56
    1,2-diethoxyethane 596.93
    benzonitrile 184.95
    trioctyl phosphate 75.54
    1-bromopropane 426.21
    gamma-valerolactone 439.8
    n-decanol 117.9
    triethyl phosphate 108.38
    4-methyl-2-pentanol 156.05
    propionitrile 233.2
    vinylene carbonate 156.56
    1,1,2-trichlorotrifluoroethane 219.88
    DMS 106.69
    cumene 55.51
    2-octanol 133.67
    2-hexanone 306.24
    octyl acetate 134.46
    limonene 235.39
    1,2-dimethoxyethane 451.24
    ethyl orthosilicate 125.24
    tributyl phosphate 94.92
    diacetone alcohol 208.38
    N,N-dimethylaniline 79.64
    acrylonitrile 168.3
    aniline 175.9
    1,3-propanediol 202.73
    bromobenzene 217.87
    dibromomethane 451.04
    1,1,2,2-tetrachloroethane 366.9
    2-methyl-cyclohexyl acetate 212.22
    tetrabutyl urea 103.52
    diisobutyl methanol 203.53
    2-phenylethanol 221.29
    styrene 100.96
    dioctyl adipate 129.79
    dimethyl sulfate 46.54
    ethyl butyrate 409.66
    methyl lactate 57.4
    butyl lactate 147.61
    diethyl carbonate 183.99
    propanediol butyl ether 170.81
    triethyl orthoformate 270.29
    p-tert-butyltoluene 112.35
    methyl 4-tert-butylbenzoate 117.93
    morpholine 685.1
    tert-butylamine 303.09
    n-dodecanol 92.97
    dimethoxymethane 188.66
    ethylene carbonate 159.08
    cyrene 123.41
    2-ethoxyethyl acetate 260.48
    2-ethylhexyl acetate 444.09
    1,2,4-trichlorobenzene 172.24
    4-methylpyridine 324.65
    dibutyl ether 335.22
    2,6-dimethyl-4-heptanol 203.53
    DEF 233.41
    dimethyl isosorbide 311.2
    tetrachloroethylene 311.89
    eugenol 124.29
    triacetin 160.18
    span 80 217.95
    1,4-butanediol 66.83
    1,1-dichloroethane 373.68
    2-methyl-1-pentanol 241.3
    methyl formate 66.4
    2-methyl-1-butanol 300.27
    n-decane 59.3
    butyronitrile 398.63
    3,7-dimethyl-1-octanol 185.62
    1-chlorooctane 139.04
    1-chlorotetradecane 55.83
    n-nonane 65.78
    undecane 41.2
    tert-butylcyclohexane 58.96
    cyclooctane 83.21
    cyclopentanol 305.82
    tetrahydropyran 962.64
    tert-amyl methyl ether 261.61
    2,5,8-trioxanonane 318.05
    1-hexene 341.55
    2-isopropoxyethanol 180.79
    2,2,2-trifluoroethanol 45.69
    methyl butyrate 222.42

    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