1-(Methylthio)-1-butene, (1E)-

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  • Identifiers

    CAS number
    17414-27-6

    Molecular formula
    C5H10S

    SMILES
    CC/C=C/SC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Onion 82.12%
    Garlic 79.4%
    Sulfurous 70.01%
    Alliaceous 63.35%
    Savory 49.01%
    Pungent 47.93%
    Cooked 46.81%
    Cabbage 37.06%
    Vegetable 36.77%
    Radish 36.61%

     

    Flavor
    Sulfurous 53.57%
    Onion 49.28%
    Garlic 40.99%
    Green 35.69%
    Alliaceous 32.8%
    Vegetable 26.1%
    Cabbage 24.86%
    Meaty 23.42%
    Sulfury 21.71%
    Greasy 21.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.03 (neutral)

    Molecular weight
    102.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 123.00 to 125.00 °C. @ 760.00 mm Hg

    Flash point

    • 14.78 ˚C est.

    Solubility expt.

    • very soluble in alcohol

  • Synonyms

    • 1-Butene, 1-(methylthio)-, (E)-
    • (E)-1-methylsulfanylbut-1-ene
    • 1-(Methylthio)-1-butene
    • 17414-27-6
    • 1-(Methylthio)-1-butene, (1E)-
    • FEMA No. 3820, E-
    • UNII-C6PL4F56E0
    • Sulfide, 1-butenyl methyl, (E)-
    • C6PL4F56E0
    • 1-Butene, 1-(methylthio)-, (1E)-
    • DTXSID50169772
    • 1-Buten-1-yl methyl sulfide
    • 32951-19-2
    • UNII-PI166QHN3H
    • 2-Thia-3-hexene
    • PI166QHN3H
    • (E)-1-methylsulanylbut-1-ene
    • SCHEMBL2272187
    • 1-(Methylthio)-(e)-1-butene
    • DTXCID8092263
    • SCHEMBL13220730
    • FEMA 3820
    • 1-(Methylthio)-(Z)-1-Butene
    • (1E)-1-(methylthio)-1-butene
    • CHEBI:173316
    • 1-Buten-1-yl methyl sulfide, 8CI
    • (1E)-1-(Methylsulfanyl)-1-butene
    • (1E)-1-(methylsulfanyl)but-1-ene
    • (1Z)-1-(Methylsulfanyl)-1-butene
    • (1E)-1-(Methylsulfanyl)-1-butene #
    • Q27275260

  • Applications

    1-(Methylthio)-1-butene, (1E)- (CAS 17414-27-6) is primarily used as a synthetic building block in organic synthesis to introduce a methylthio functionality. It acts as a reactive intermediate in thiol-ene and related click-type chemistries, enabling the construction of sulfur-containing polymers and coatings with thioether linkages. It can serve as a monomer or co-monomer precursor in specialty polymers and adhesive formulations where sulfur motifs are desired. In fragrance and flavor research it may be explored as a precursor to sulfur-containing odorants, and in pharmaceutical and agrochemical research it is often evaluated as an intermediate for the preparation of sulfur-containing compounds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1122.03
    methanol 773.9
    isopropanol 1004.87
    water 0.22
    ethyl acetate 1198.72
    n-propanol 1096.44
    acetone 1940.39
    n-butanol 1259.47
    acetonitrile 1080.71
    DMF 1161.93
    toluene 1250.51
    isobutanol 891.74
    1,4-dioxane 2282.99
    methyl acetate 935.79
    THF 3823.48
    2-butanone 1460.19
    n-pentanol 767.07
    sec-butanol 1013.47
    n-hexane 942.51
    ethylene glycol 135.52
    NMP 1487.43
    cyclohexane 1690.66
    DMSO 1851.16
    n-butyl acetate 2312.51
    n-octanol 661.99
    chloroform 2660.33
    n-propyl acetate 821.27
    acetic acid 640.74
    dichloromethane 2272.94
    cyclohexanone 2752.52
    propylene glycol 228.46
    isopropyl acetate 793.83
    DMAc 737.86
    2-ethoxyethanol 647.37
    isopentanol 941.39
    n-heptane 1436.95
    ethyl formate 644.44
    1,2-dichloroethane 1541.29
    n-hexanol 1683.27
    2-methoxyethanol 992.4
    isobutyl acetate 585.02
    tetrachloromethane 1043.73
    n-pentyl acetate 848.87
    transcutol 1859.39
    n-heptanol 643.36
    ethylbenzene 492.57
    MIBK 812.6
    2-propoxyethanol 1488.77
    tert-butanol 1318.13
    MTBE 1468.93
    2-butoxyethanol 672.77
    propionic acid 664.34
    o-xylene 603.06
    formic acid 86.79
    diethyl ether 1967.98
    m-xylene 724.24
    p-xylene 561.98
    chlorobenzene 1173.16
    dimethyl carbonate 257.53
    n-octane 391.12
    formamide 136.44
    cyclopentanone 2577.11
    2-pentanone 1521.23
    anisole 662.8
    cyclopentyl methyl ether 2128.65
    gamma-butyrolactone 1915.6
    1-methoxy-2-propanol 906.89
    pyridine 1770.5
    3-pentanone 1079.91
    furfural 1305.81
    n-dodecane 189.34
    diethylene glycol 631.35
    diisopropyl ether 694.85
    tert-amyl alcohol 1018.89
    acetylacetone 1111.96
    n-hexadecane 216.25
    acetophenone 540.28
    methyl propionate 777.05
    isopentyl acetate 1554.34
    trichloroethylene 2175.55
    n-nonanol 533.28
    cyclohexanol 1530.37
    benzyl alcohol 458.06
    2-ethylhexanol 1269.17
    isooctanol 519.84
    dipropyl ether 2102.22
    1,2-dichlorobenzene 865.88
    ethyl lactate 267.45
    propylene carbonate 999.11
    n-methylformamide 502.11
    2-pentanol 963.25
    n-pentane 894.1
    1-propoxy-2-propanol 1481.29
    1-methoxy-2-propyl acetate 1028.9
    2-(2-methoxypropoxy) propanol 486.9
    mesitylene 491.25
    ε-caprolactone 1684.93
    p-cymene 550.11
    epichlorohydrin 1784.92
    1,1,1-trichloroethane 2033.92
    2-aminoethanol 297.5
    morpholine-4-carbaldehyde 1284.91
    sulfolane 2092.92
    2,2,4-trimethylpentane 289.8
    2-methyltetrahydrofuran 3092.69
    n-hexyl acetate 1007.7
    isooctane 286.75
    2-(2-butoxyethoxy)ethanol 792.61
    sec-butyl acetate 543.05
    tert-butyl acetate 885.52
    decalin 397.9
    glycerin 248.53
    diglyme 1396.81
    acrylic acid 446.36
    isopropyl myristate 433.16
    n-butyric acid 1233.83
    acetyl acetate 594.99
    di(2-ethylhexyl) phthalate 274.53
    ethyl propionate 617.06
    nitromethane 889.23
    1,2-diethoxyethane 1497.74
    benzonitrile 841.19
    trioctyl phosphate 268.73
    1-bromopropane 1942.2
    gamma-valerolactone 2036.54
    n-decanol 399.71
    triethyl phosphate 338.37
    4-methyl-2-pentanol 489.07
    propionitrile 1018.94
    vinylene carbonate 801.89
    1,1,2-trichlorotrifluoroethane 883.41
    DMS 424.22
    cumene 304.6
    2-octanol 506.32
    2-hexanone 1025.91
    octyl acetate 508.49
    limonene 1148.41
    1,2-dimethoxyethane 1406.92
    ethyl orthosilicate 383.28
    tributyl phosphate 331.64
    diacetone alcohol 774.69
    N,N-dimethylaniline 417.69
    acrylonitrile 863.63
    aniline 882.32
    1,3-propanediol 531.99
    bromobenzene 1428.67
    dibromomethane 2170.46
    1,1,2,2-tetrachloroethane 1786.23
    2-methyl-cyclohexyl acetate 736.52
    tetrabutyl urea 461.46
    diisobutyl methanol 684.6
    2-phenylethanol 705.55
    styrene 666.56
    dioctyl adipate 466.47
    dimethyl sulfate 366.84
    ethyl butyrate 1274.72
    methyl lactate 293.49
    butyl lactate 467.52
    diethyl carbonate 581.19
    propanediol butyl ether 516.66
    triethyl orthoformate 747.6
    p-tert-butyltoluene 521.58
    methyl 4-tert-butylbenzoate 474.03
    morpholine 2312.03
    tert-butylamine 1019.38
    n-dodecanol 327.14
    dimethoxymethane 957.76
    ethylene carbonate 767.18
    cyrene 434.4
    2-ethoxyethyl acetate 760.85
    2-ethylhexyl acetate 1336.74
    1,2,4-trichlorobenzene 908.19
    4-methylpyridine 1750.12
    dibutyl ether 1334.43
    2,6-dimethyl-4-heptanol 684.6
    DEF 1119.98
    dimethyl isosorbide 946.62
    tetrachloroethylene 1289.99
    eugenol 433.45
    triacetin 539.02
    span 80 616.55
    1,4-butanediol 225.24
    1,1-dichloroethane 1833.2
    2-methyl-1-pentanol 653.39
    methyl formate 409.1
    2-methyl-1-butanol 965.05
    n-decane 340.27
    butyronitrile 1484.51
    3,7-dimethyl-1-octanol 632.61
    1-chlorooctane 745.15
    1-chlorotetradecane 300.08
    n-nonane 426.82
    undecane 236.44
    tert-butylcyclohexane 366.77
    cyclooctane 652.75
    cyclopentanol 1407.15
    tetrahydropyran 3601.38
    tert-amyl methyl ether 1055.68
    2,5,8-trioxanonane 873.9
    1-hexene 1468.51
    2-isopropoxyethanol 528.95
    2,2,2-trifluoroethanol 144.44
    methyl butyrate 878.57

    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