2-Methylsulfanylpent-2-ene

  • Identifiers

    Molecular formula
    C6H12S

    SMILES
    CCC=C(C)SC

  • Odor profile

    Fragrance
    Sulfurous 80.28%
    Onion 67.7%
    Meaty 63.86%
    Garlic 59.18%
    Alliaceous 53.69%
    Savory 51.94%
    Vegetable 49.41%
    Roasted 40.81%
    Cooked 38.8%
    Tropical 34.23%

     

    Flavor
    Sulfurous 49.84%
    Green 43.46%
    Onion 40.95%
    Meaty 30.07%
    Garlic 28.82%
    Sulfury 28.02%
    Spicy 26.1%
    Citrus 25.89%
    Vegetable 24.4%
    Tropical 23.92%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.53 (weak base)

    Molecular weight
    116.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    132°C

    Flash point

    • 23.05 ˚C est.

  • Applications

    2-Methylsulfanylpent-2-ene is an organosulfur compound that is primarily used as an intermediate in organic synthesis on an industrial scale. Real-world applications include: serving as an intermediate for complex organic synthesis; evaluated for fragrance and flavor chemistry applications; acting as a precursor or modifier for specialty polymers; used as a reactive intermediate in coatings and inks; considered for cosmetics/personal care as a fragrance-related ingredient. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1065.47
    methanol 694.79
    isopropanol 998.76
    water 0.43
    ethyl acetate 1368.52
    n-propanol 1106.77
    acetone 1529.8
    n-butanol 1318.7
    acetonitrile 1139.24
    DMF 999.35
    toluene 1478.82
    isobutanol 940.45
    1,4-dioxane 2600.62
    methyl acetate 1064.36
    THF 3266.74
    2-butanone 1531.71
    n-pentanol 842.42
    sec-butanol 1199.27
    n-hexane 830.86
    ethylene glycol 111.12
    NMP 1437.09
    cyclohexane 1460.49
    DMSO 1113.37
    n-butyl acetate 2116.55
    n-octanol 792.94
    chloroform 3145.32
    n-propyl acetate 859.79
    acetic acid 579.59
    dichloromethane 2304.52
    cyclohexanone 2688.32
    propylene glycol 232.0
    isopropyl acetate 889.65
    DMAc 870.22
    2-ethoxyethanol 737.49
    isopentanol 1063.54
    n-heptane 1277.54
    ethyl formate 660.5
    1,2-dichloroethane 1479.85
    n-hexanol 1897.5
    2-methoxyethanol 994.37
    isobutyl acetate 584.85
    tetrachloromethane 1226.63
    n-pentyl acetate 1032.08
    transcutol 2173.38
    n-heptanol 791.4
    ethylbenzene 559.8
    MIBK 829.69
    2-propoxyethanol 1604.92
    tert-butanol 1414.21
    MTBE 1694.1
    2-butoxyethanol 866.61
    propionic acid 673.51
    o-xylene 743.47
    formic acid 97.17
    diethyl ether 2199.22
    m-xylene 798.91
    p-xylene 608.92
    chlorobenzene 1268.41
    dimethyl carbonate 268.98
    n-octane 366.99
    formamide 142.6
    cyclopentanone 2238.19
    2-pentanone 1443.94
    anisole 860.75
    cyclopentyl methyl ether 2081.44
    gamma-butyrolactone 1650.15
    1-methoxy-2-propanol 940.42
    pyridine 1911.55
    3-pentanone 1204.4
    furfural 1371.14
    n-dodecane 192.6
    diethylene glycol 617.99
    diisopropyl ether 793.34
    tert-amyl alcohol 1289.33
    acetylacetone 1051.17
    n-hexadecane 219.07
    acetophenone 654.59
    methyl propionate 854.4
    isopentyl acetate 1483.84
    trichloroethylene 2324.87
    n-nonanol 671.12
    cyclohexanol 1598.02
    benzyl alcohol 571.67
    2-ethylhexanol 1387.97
    isooctanol 653.85
    dipropyl ether 2096.91
    1,2-dichlorobenzene 1026.82
    ethyl lactate 303.95
    propylene carbonate 987.92
    n-methylformamide 468.48
    2-pentanol 1098.35
    n-pentane 833.73
    1-propoxy-2-propanol 1512.34
    1-methoxy-2-propyl acetate 1086.34
    2-(2-methoxypropoxy) propanol 642.38
    mesitylene 545.63
    ε-caprolactone 1866.34
    p-cymene 628.6
    epichlorohydrin 1805.52
    1,1,1-trichloroethane 2197.59
    2-aminoethanol 301.09
    morpholine-4-carbaldehyde 1435.63
    sulfolane 1728.2
    2,2,4-trimethylpentane 316.12
    2-methyltetrahydrofuran 3007.29
    n-hexyl acetate 1200.09
    isooctane 271.01
    2-(2-butoxyethoxy)ethanol 956.75
    sec-butyl acetate 625.53
    tert-butyl acetate 1018.07
    decalin 440.07
    glycerin 260.54
    diglyme 1651.46
    acrylic acid 441.84
    isopropyl myristate 543.9
    n-butyric acid 1221.77
    acetyl acetate 694.41
    di(2-ethylhexyl) phthalate 348.74
    ethyl propionate 697.25
    nitromethane 850.48
    1,2-diethoxyethane 1642.06
    benzonitrile 960.8
    trioctyl phosphate 317.55
    1-bromopropane 1755.97
    gamma-valerolactone 1998.57
    n-decanol 498.21
    triethyl phosphate 413.2
    4-methyl-2-pentanol 576.05
    propionitrile 1165.68
    vinylene carbonate 854.84
    1,1,2-trichlorotrifluoroethane 978.79
    DMS 529.2
    cumene 378.03
    2-octanol 626.58
    2-hexanone 1021.4
    octyl acetate 639.33
    limonene 1227.97
    1,2-dimethoxyethane 1403.43
    ethyl orthosilicate 456.91
    tributyl phosphate 380.9
    diacetone alcohol 852.02
    N,N-dimethylaniline 553.43
    acrylonitrile 901.58
    aniline 1024.81
    1,3-propanediol 524.34
    bromobenzene 1480.78
    dibromomethane 2039.75
    1,1,2,2-tetrachloroethane 2089.7
    2-methyl-cyclohexyl acetate 835.2
    tetrabutyl urea 466.58
    diisobutyl methanol 698.26
    2-phenylethanol 836.08
    styrene 743.27
    dioctyl adipate 559.32
    dimethyl sulfate 376.7
    ethyl butyrate 1214.95
    methyl lactate 312.64
    butyl lactate 549.96
    diethyl carbonate 625.82
    propanediol butyl ether 622.4
    triethyl orthoformate 805.96
    p-tert-butyltoluene 606.72
    methyl 4-tert-butylbenzoate 648.33
    morpholine 2520.03
    tert-butylamine 1148.72
    n-dodecanol 396.48
    dimethoxymethane 886.39
    ethylene carbonate 825.11
    cyrene 541.04
    2-ethoxyethyl acetate 971.44
    2-ethylhexyl acetate 1388.77
    1,2,4-trichlorobenzene 1135.49
    4-methylpyridine 1907.3
    dibutyl ether 1349.5
    2,6-dimethyl-4-heptanol 698.26
    DEF 1263.04
    dimethyl isosorbide 1116.46
    tetrachloroethylene 1469.83
    eugenol 566.06
    triacetin 678.86
    span 80 752.99
    1,4-butanediol 227.23
    1,1-dichloroethane 1912.79
    2-methyl-1-pentanol 760.06
    methyl formate 354.71
    2-methyl-1-butanol 1092.55
    n-decane 337.23
    butyronitrile 1529.73
    3,7-dimethyl-1-octanol 779.24
    1-chlorooctane 815.77
    1-chlorotetradecane 338.16
    n-nonane 407.29
    undecane 240.81
    tert-butylcyclohexane 401.7
    cyclooctane 596.44
    cyclopentanol 1302.07
    tetrahydropyran 3502.54
    tert-amyl methyl ether 1312.5
    2,5,8-trioxanonane 1051.51
    1-hexene 1401.25
    2-isopropoxyethanol 645.12
    2,2,2-trifluoroethanol 173.6
    methyl butyrate 894.12

    Scent© AI

1 of 3
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