2-Methyl-1-methylsulfanylbut-2-ene

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  • Identifiers

    CAS number
    89534-74-7

    Molecular formula
    C6H12S

    SMILES
    CC=C(C)CSC

  • Odor profile

    Fragrance
    Sulfurous 63.75%
    Onion 58.99%
    Meaty 58.1%
    Garlic 47.95%
    Vegetable 44.53%
    Roasted 44.49%
    Alliaceous 42.23%
    Savory 42.0%
    Cooked 39.15%
    Spicy 31.96%

     

    Flavor
    Green 53.31%
    Sulfurous 47.19%
    Onion 43.35%
    Spicy 32.05%
    Garlic 31.69%
    Meaty 31.53%
    Vegetable 31.53%
    Earthy 28.03%
    Citrus 27.55%
    Cabbage 25.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.09 (weak base)

    Molecular weight
    116.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    147°C

    Flash point

    • 24.77 ˚C est.

    Solubility expt.

    • Very slightly soluble in water; soluble in non-polar solvents
    • Soluble (in ethanol)

  • Synonyms

    • 2-methyl-1-methylsulfanylbut-2-ene
    • 89534-74-7
    • DTXSID10904520
    • methyl (2-methyl-2-butenyl) sulfide

  • Applications

    2-Methyl-1-methylsulfanylbut-2-ene (CAS 89534-74-7) is primarily used as a fragrance component and odorant in perfumery and personal care products, contributing to scent profiles in cosmetics and household cleaners. It can also serve as an intermediate in organic synthesis for sulfur-containing compounds. The vinyl thioether structure enables it to function as a reactive monomer or functional modifier in specialty polymers and coatings, allowing the incorporation of sulfur-containing motifs into materials. In industrial manufacturing, it may be used as a building block or precursor for chemical synthesis, and in some household formulations it may be included as a fragrance additive under regulatory limits. Use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 983.93
    methanol 574.82
    isopropanol 923.77
    water 0.36
    ethyl acetate 1142.1
    n-propanol 989.96
    acetone 1514.21
    n-butanol 1188.51
    acetonitrile 881.31
    DMF 769.39
    toluene 1261.18
    isobutanol 831.47
    1,4-dioxane 2249.96
    methyl acetate 909.42
    THF 3275.98
    2-butanone 1371.89
    n-pentanol 762.92
    sec-butanol 1044.89
    n-hexane 1003.85
    ethylene glycol 108.91
    NMP 1182.64
    cyclohexane 1706.46
    DMSO 978.74
    n-butyl acetate 1871.29
    n-octanol 707.79
    chloroform 2323.5
    n-propyl acetate 686.96
    acetic acid 524.16
    dichloromethane 1664.07
    cyclohexanone 2422.34
    propylene glycol 210.54
    isopropyl acetate 794.18
    DMAc 681.26
    2-ethoxyethanol 619.25
    isopentanol 975.91
    n-heptane 1501.43
    ethyl formate 519.55
    1,2-dichloroethane 1135.57
    n-hexanol 1787.01
    2-methoxyethanol 870.14
    isobutyl acetate 512.64
    tetrachloromethane 989.94
    n-pentyl acetate 808.75
    transcutol 1956.66
    n-heptanol 714.33
    ethylbenzene 502.35
    MIBK 741.28
    2-propoxyethanol 1455.6
    tert-butanol 1325.06
    MTBE 1521.84
    2-butoxyethanol 728.01
    propionic acid 601.21
    o-xylene 676.37
    formic acid 77.65
    diethyl ether 2019.97
    m-xylene 750.82
    p-xylene 547.07
    chlorobenzene 944.84
    dimethyl carbonate 217.65
    n-octane 386.55
    formamide 106.17
    cyclopentanone 1977.22
    2-pentanone 1325.07
    anisole 670.3
    cyclopentyl methyl ether 2057.1
    gamma-butyrolactone 1419.98
    1-methoxy-2-propanol 844.82
    pyridine 1478.76
    3-pentanone 1048.43
    furfural 1034.52
    n-dodecane 181.53
    diethylene glycol 582.02
    diisopropyl ether 771.63
    tert-amyl alcohol 1120.24
    acetylacetone 931.87
    n-hexadecane 206.86
    acetophenone 498.61
    methyl propionate 713.78
    isopentyl acetate 1318.86
    trichloroethylene 1696.75
    n-nonanol 588.17
    cyclohexanol 1575.15
    benzyl alcohol 446.63
    2-ethylhexanol 1340.93
    isooctanol 582.22
    dipropyl ether 2088.24
    1,2-dichlorobenzene 780.2
    ethyl lactate 242.0
    propylene carbonate 824.18
    n-methylformamide 345.53
    2-pentanol 1008.54
    n-pentane 941.53
    1-propoxy-2-propanol 1397.61
    1-methoxy-2-propyl acetate 917.34
    2-(2-methoxypropoxy) propanol 526.35
    mesitylene 506.46
    ε-caprolactone 1545.14
    p-cymene 574.98
    epichlorohydrin 1440.33
    1,1,1-trichloroethane 1700.2
    2-aminoethanol 272.1
    morpholine-4-carbaldehyde 1093.0
    sulfolane 1458.62
    2,2,4-trimethylpentane 318.95
    2-methyltetrahydrofuran 2841.48
    n-hexyl acetate 998.27
    isooctane 288.58
    2-(2-butoxyethoxy)ethanol 807.62
    sec-butyl acetate 509.69
    tert-butyl acetate 905.57
    decalin 442.63
    glycerin 229.02
    diglyme 1417.47
    acrylic acid 370.79
    isopropyl myristate 453.57
    n-butyric acid 1057.95
    acetyl acetate 595.81
    di(2-ethylhexyl) phthalate 275.67
    ethyl propionate 564.74
    nitromethane 660.82
    1,2-diethoxyethane 1488.03
    benzonitrile 694.27
    trioctyl phosphate 259.18
    1-bromopropane 1471.72
    gamma-valerolactone 1656.95
    n-decanol 428.71
    triethyl phosphate 329.49
    4-methyl-2-pentanol 530.82
    propionitrile 900.96
    vinylene carbonate 641.3
    1,1,2-trichlorotrifluoroethane 792.31
    DMS 414.12
    cumene 339.67
    2-octanol 546.27
    2-hexanone 896.83
    octyl acetate 529.61
    limonene 1174.56
    1,2-dimethoxyethane 1186.09
    ethyl orthosilicate 372.49
    tributyl phosphate 302.45
    diacetone alcohol 760.35
    N,N-dimethylaniline 448.43
    acrylonitrile 662.73
    aniline 838.61
    1,3-propanediol 465.07
    bromobenzene 1111.71
    dibromomethane 1586.09
    1,1,2,2-tetrachloroethane 1590.61
    2-methyl-cyclohexyl acetate 730.13
    tetrabutyl urea 390.59
    diisobutyl methanol 686.82
    2-phenylethanol 695.72
    styrene 616.67
    dioctyl adipate 469.34
    dimethyl sulfate 288.58
    ethyl butyrate 1035.22
    methyl lactate 261.51
    butyl lactate 447.67
    diethyl carbonate 484.97
    propanediol butyl ether 530.82
    triethyl orthoformate 669.87
    p-tert-butyltoluene 542.74
    methyl 4-tert-butylbenzoate 523.22
    morpholine 2169.8
    tert-butylamine 1103.43
    n-dodecanol 346.29
    dimethoxymethane 747.81
    ethylene carbonate 649.51
    cyrene 425.18
    2-ethoxyethyl acetate 760.36
    2-ethylhexyl acetate 1209.52
    1,2,4-trichlorobenzene 846.4
    4-methylpyridine 1479.56
    dibutyl ether 1295.89
    2,6-dimethyl-4-heptanol 686.82
    DEF 1012.22
    dimethyl isosorbide 904.99
    tetrachloroethylene 1185.51
    eugenol 440.3
    triacetin 548.15
    span 80 623.4
    1,4-butanediol 199.53
    1,1-dichloroethane 1467.83
    2-methyl-1-pentanol 674.31
    methyl formate 274.22
    2-methyl-1-butanol 950.88
    n-decane 342.36
    butyronitrile 1212.58
    3,7-dimethyl-1-octanol 702.06
    1-chlorooctane 727.83
    1-chlorotetradecane 291.12
    n-nonane 414.58
    undecane 232.04
    tert-butylcyclohexane 403.58
    cyclooctane 684.89
    cyclopentanol 1253.96
    tetrahydropyran 3314.71
    tert-amyl methyl ether 1185.94
    2,5,8-trioxanonane 864.42
    1-hexene 1421.02
    2-isopropoxyethanol 549.91
    2,2,2-trifluoroethanol 141.22
    methyl butyrate 724.34

    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