2-Methyl-3-butene-2-thiol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    124831-34-1

    Molecular formula
    C5H10S

    SMILES
    CC(C)(C=C)S

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 84.07%
    Meaty 63.26%
    Onion 56.95%
    Tropical 54.5%
    Garlic 46.91%
    Roasted 41.34%
    Alliaceous 40.33%
    Fruity 39.45%
    Savory 37.42%
    Grapefruit 32.16%

     

    Flavor
    Sulfurous 57.27%
    Meaty 37.65%
    Onion 37.65%
    Sulfury 30.68%
    Tropical 27.15%
    Garlic 23.71%
    Box tree 22.3%
    Catty 21.94%
    Alliaceous 21.88%
    Cat-urine 21.87%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    10.77 (weak base)

    Molecular weight
    102.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    92°C

    Flash point

    • -0.81 ˚C est.

  • Synonyms

    • 2-Methyl-3-butene-2-thiol
    • Fema No. 4916
    • A3L8IE51PX
    • UNII-A3L8IE51PX
    • 124831-34-1
    • RefChem:88075
    • ZKDRFRZNMQYWPD-HWKANZROSA-N
    • 2-methylbut-3-ene-2-thiol
    • SCHEMBL3309571
    • SCHEMBL4171709
    • 124831-34-1

  • Applications

    2-Methyl-3-butene-2-thiol (CAS 124831-34-1) is primarily used as an odorant/fragrance ingredient in perfumery and flavor applications, contributing green and sulfurous note profiles; it can serve in cosmetic/personal care fragrance formulations and is encountered in household products to impart scent; chemically, it can function as a reactive thiol for organic synthesis, providing a handle to introduce mercaptan functionality; in polymer science it participates in thiol-ene chemistry, acting as a monomer or crosslinking agent for coatings, adhesives, and UV-curable resins; and it serves as a synthetic intermediate for sulfur-containing specialty chemicals, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 168.93
    methanol 149.46
    isopropanol 133.89
    water 3.6
    ethyl acetate 157.59
    n-propanol 152.35
    acetone 126.95
    n-butanol 161.69
    acetonitrile 98.89
    DMF 161.73
    toluene 86.24
    isobutanol 105.23
    1,4-dioxane 200.35
    methyl acetate 147.81
    THF 276.36
    2-butanone 167.37
    n-pentanol 119.01
    sec-butanol 165.38
    n-hexane 62.7
    ethylene glycol 49.98
    NMP 167.77
    cyclohexane 45.03
    DMSO 101.85
    n-butyl acetate 145.4
    n-octanol 141.98
    chloroform 260.93
    n-propyl acetate 95.51
    acetic acid 117.33
    dichloromethane 148.37
    cyclohexanone 135.46
    propylene glycol 95.25
    isopropyl acetate 119.47
    DMAc 222.7
    2-ethoxyethanol 151.21
    isopentanol 124.22
    n-heptane 83.23
    ethyl formate 73.22
    1,2-dichloroethane 87.65
    n-hexanol 233.89
    2-methoxyethanol 215.14
    isobutyl acetate 77.66
    tetrachloromethane 83.74
    n-pentyl acetate 110.65
    transcutol 391.65
    n-heptanol 147.07
    ethylbenzene 61.99
    MIBK 102.31
    2-propoxyethanol 288.29
    tert-butanol 160.6
    MTBE 173.63
    2-butoxyethanol 189.74
    propionic acid 116.97
    o-xylene 76.08
    formic acid 51.78
    diethyl ether 176.1
    m-xylene 78.25
    p-xylene 68.8
    chlorobenzene 81.85
    dimethyl carbonate 64.02
    n-octane 37.85
    formamide 65.07
    cyclopentanone 159.95
    2-pentanone 142.32
    anisole 114.17
    cyclopentyl methyl ether 166.6
    gamma-butyrolactone 141.18
    1-methoxy-2-propanol 218.9
    pyridine 136.29
    3-pentanone 131.45
    furfural 136.97
    n-dodecane 27.24
    diethylene glycol 167.61
    diisopropyl ether 90.58
    tert-amyl alcohol 188.89
    acetylacetone 123.64
    n-hexadecane 28.43
    acetophenone 97.34
    methyl propionate 132.9
    isopentyl acetate 127.01
    trichloroethylene 158.51
    n-nonanol 128.77
    cyclohexanol 112.26
    benzyl alcohol 84.55
    2-ethylhexanol 156.91
    isooctanol 110.19
    dipropyl ether 175.47
    1,2-dichlorobenzene 80.47
    ethyl lactate 72.65
    propylene carbonate 97.04
    n-methylformamide 89.83
    2-pentanol 149.37
    n-pentane 64.57
    1-propoxy-2-propanol 252.94
    1-methoxy-2-propyl acetate 163.03
    2-(2-methoxypropoxy) propanol 172.81
    mesitylene 57.81
    ε-caprolactone 135.33
    p-cymene 69.9
    epichlorohydrin 149.28
    1,1,1-trichloroethane 142.0
    2-aminoethanol 100.44
    morpholine-4-carbaldehyde 187.25
    sulfolane 127.79
    2,2,4-trimethylpentane 41.33
    2-methyltetrahydrofuran 227.94
    n-hexyl acetate 160.3
    isooctane 31.75
    2-(2-butoxyethoxy)ethanol 204.44
    sec-butyl acetate 91.92
    tert-butyl acetate 134.1
    decalin 35.06
    glycerin 109.39
    diglyme 273.54
    acrylic acid 95.51
    isopropyl myristate 85.57
    n-butyric acid 145.52
    acetyl acetate 100.65
    di(2-ethylhexyl) phthalate 72.58
    ethyl propionate 105.61
    nitromethane 122.72
    1,2-diethoxyethane 170.11
    benzonitrile 73.91
    trioctyl phosphate 58.77
    1-bromopropane 104.12
    gamma-valerolactone 183.52
    n-decanol 100.28
    triethyl phosphate 70.15
    4-methyl-2-pentanol 97.64
    propionitrile 101.86
    vinylene carbonate 83.1
    1,1,2-trichlorotrifluoroethane 145.85
    DMS 95.12
    cumene 53.05
    2-octanol 103.9
    2-hexanone 117.4
    octyl acetate 105.15
    limonene 98.55
    1,2-dimethoxyethane 175.08
    ethyl orthosilicate 75.83
    tributyl phosphate 64.86
    diacetone alcohol 157.09
    N,N-dimethylaniline 95.97
    acrylonitrile 94.0
    aniline 107.95
    1,3-propanediol 124.51
    bromobenzene 76.34
    dibromomethane 125.81
    1,1,2,2-tetrachloroethane 160.87
    2-methyl-cyclohexyl acetate 114.4
    tetrabutyl urea 75.84
    diisobutyl methanol 91.15
    2-phenylethanol 128.76
    styrene 68.3
    dioctyl adipate 95.37
    dimethyl sulfate 73.45
    ethyl butyrate 125.66
    methyl lactate 96.26
    butyl lactate 95.17
    diethyl carbonate 82.49
    propanediol butyl ether 150.98
    triethyl orthoformate 105.33
    p-tert-butyltoluene 76.07
    methyl 4-tert-butylbenzoate 135.36
    morpholine 231.21
    tert-butylamine 119.76
    n-dodecanol 80.14
    dimethoxymethane 136.28
    ethylene carbonate 73.56
    cyrene 114.86
    2-ethoxyethyl acetate 135.0
    2-ethylhexyl acetate 112.41
    1,2,4-trichlorobenzene 110.06
    4-methylpyridine 128.48
    dibutyl ether 129.27
    2,6-dimethyl-4-heptanol 91.15
    DEF 149.41
    dimethyl isosorbide 206.61
    tetrachloroethylene 114.41
    eugenol 125.53
    triacetin 134.25
    span 80 165.59
    1,4-butanediol 55.87
    1,1-dichloroethane 130.04
    2-methyl-1-pentanol 112.29
    methyl formate 62.21
    2-methyl-1-butanol 130.13
    n-decane 44.43
    butyronitrile 99.15
    3,7-dimethyl-1-octanol 118.56
    1-chlorooctane 92.11
    1-chlorotetradecane 45.64
    n-nonane 45.41
    undecane 33.45
    tert-butylcyclohexane 42.28
    cyclooctane 31.54
    cyclopentanol 118.59
    tetrahydropyran 192.82
    tert-amyl methyl ether 173.12
    2,5,8-trioxanonane 202.51
    1-hexene 113.18
    2-isopropoxyethanol 129.45
    2,2,2-trifluoroethanol 59.56
    methyl butyrate 107.94

    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