Ethyl 3-(methylthio)-2-propenoate, (2Z)-

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  • Identifiers

    CAS number
    136115-66-7

    Molecular formula
    C6H10O2S

    SMILES
    CCOC(=O)/C=C\SC

  • Odor profile

    Fragrance
    Sulfurous 64.25%
    Sweet 62.3%
    Fruity 61.32%
    Onion 55.27%
    Garlic 40.66%
    Tropical 39.85%
    Pungent 39.29%
    Alliaceous 38.51%
    Cabbage 33.47%
    Cheesy 33.08%

     

    Flavor
    Fruity 54.02%
    Cooked 26.64%
    Cabbage 26.22%
    Cheese 23.89%
    Onion 23.17%
    Pungent 22.51%
    Vegetable 22.3%
    Tropical 22.23%
    Sulfury 21.61%
    Pulpy 20.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.21 (neutral)

    Molecular weight
    146.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    209°C

    Flash point

    • 72.21 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Ethyl 3-(methylthio)-(Z)-2-propenoate
    • FEMA No. 4563
    • K1GVY64R72
    • Ethyl 3-(methylthio)-2-propenoate, (2Z)-
    • UNII-K1GVY64R72
    • 136115-66-7
    • 2-Propenoic acid, 3-(methylthio)-, ethyl ester, (Z)-
    • 2-Propenoic acid, 3-(methylthio)-, ethyl ester, (2Z)-
    • ETHYL 3-(METHYLTHIO)-CIS-2-PROPENOATE
    • ETHYL 3-(METHYLTHIO)-2-PROPENOATE, CIS-
    • SCHEMBL7950904
    • DTXSID40929266
    • DNNJFSSUXIAKAI-PLNGDYQASA-N
    • (2Z)-ethyl 3-(methylthio)-2-propenoate
    • Ethyl (2Z)-3-(methylthio)-2-propenoate
    • Ethyl (2Z)-3-(methylsulfanyl)-2-propenoate #
    • (Z)-2-Propenoic acid, 3-methylthio-, ethyl ester
    • Q27281820

  • Applications

    Chemical name: Ethyl 3-(methylthio)-2-propenoate, (2Z)-; CAS 136115-66-7 is primarily used as a monomer and building block in the synthesis of specialty polymers. The vinyl group enables polymerization to form sulfur-containing polyacrylates, allowing adjustment of mechanical properties, adhesion, and chemical resistance in coatings. It is also employed as an intermediate in the production of specialty plastics and coating formulations, and can serve as a reactive component in adhesive systems and modified resins. In industrial manufacturing, the compound may be used as a synthetic precursor or substrate for further polymer or material synthesis, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 541.08
    methanol 811.42
    isopropanol 382.97
    water 4.57
    ethyl acetate 221.98
    n-propanol 379.59
    acetone 424.7
    n-butanol 336.46
    acetonitrile 391.47
    DMF 1032.75
    toluene 238.21
    isobutanol 262.04
    1,4-dioxane 734.19
    methyl acetate 276.29
    THF 650.58
    2-butanone 298.29
    n-pentanol 294.79
    sec-butanol 328.05
    n-hexane 78.36
    ethylene glycol 204.21
    NMP 772.39
    cyclohexane 177.75
    DMSO 841.64
    n-butyl acetate 211.08
    n-octanol 159.53
    chloroform 1145.67
    n-propyl acetate 178.45
    acetic acid 675.23
    dichloromethane 860.55
    cyclohexanone 505.28
    propylene glycol 184.39
    isopropyl acetate 122.87
    DMAc 681.68
    2-ethoxyethanol 388.37
    isopentanol 244.15
    n-heptane 47.82
    ethyl formate 225.63
    1,2-dichloroethane 500.44
    n-hexanol 264.52
    2-methoxyethanol 660.39
    isobutyl acetate 113.08
    tetrachloromethane 185.38
    n-pentyl acetate 153.89
    transcutol 900.01
    n-heptanol 127.4
    ethylbenzene 146.21
    MIBK 131.82
    2-propoxyethanol 370.68
    tert-butanol 381.04
    MTBE 238.02
    2-butoxyethanol 233.89
    propionic acid 342.59
    o-xylene 171.67
    formic acid 310.35
    diethyl ether 254.13
    m-xylene 144.71
    p-xylene 197.5
    chlorobenzene 355.78
    dimethyl carbonate 103.34
    n-octane 23.58
    formamide 354.01
    cyclopentanone 496.31
    2-pentanone 212.41
    anisole 279.7
    cyclopentyl methyl ether 280.32
    gamma-butyrolactone 537.59
    1-methoxy-2-propanol 399.86
    pyridine 742.18
    3-pentanone 179.75
    furfural 657.49
    n-dodecane 22.6
    diethylene glycol 343.81
    diisopropyl ether 69.24
    tert-amyl alcohol 315.57
    acetylacetone 232.99
    n-hexadecane 25.47
    acetophenone 265.96
    methyl propionate 197.39
    isopentyl acetate 172.56
    trichloroethylene 979.14
    n-nonanol 138.36
    cyclohexanol 379.75
    benzyl alcohol 290.14
    2-ethylhexanol 169.43
    isooctanol 104.12
    dipropyl ether 142.04
    1,2-dichlorobenzene 314.3
    ethyl lactate 114.45
    propylene carbonate 297.82
    n-methylformamide 452.63
    2-pentanol 204.02
    n-pentane 67.49
    1-propoxy-2-propanol 247.41
    1-methoxy-2-propyl acetate 185.54
    2-(2-methoxypropoxy) propanol 252.2
    mesitylene 95.88
    ε-caprolactone 414.47
    p-cymene 82.41
    epichlorohydrin 569.54
    1,1,1-trichloroethane 447.47
    2-aminoethanol 310.1
    morpholine-4-carbaldehyde 698.58
    sulfolane 642.71
    2,2,4-trimethylpentane 30.02
    2-methyltetrahydrofuran 457.75
    n-hexyl acetate 232.3
    isooctane 19.95
    2-(2-butoxyethoxy)ethanol 346.84
    sec-butyl acetate 114.06
    tert-butyl acetate 146.18
    decalin 62.38
    glycerin 279.04
    diglyme 600.86
    acrylic acid 360.56
    isopropyl myristate 99.86
    n-butyric acid 351.15
    acetyl acetate 166.93
    di(2-ethylhexyl) phthalate 116.9
    ethyl propionate 149.78
    nitromethane 711.57
    1,2-diethoxyethane 274.85
    benzonitrile 391.6
    trioctyl phosphate 82.12
    1-bromopropane 311.17
    gamma-valerolactone 648.74
    n-decanol 104.56
    triethyl phosphate 100.2
    4-methyl-2-pentanol 112.72
    propionitrile 317.37
    vinylene carbonate 347.81
    1,1,2-trichlorotrifluoroethane 522.48
    DMS 171.56
    cumene 93.23
    2-octanol 105.39
    2-hexanone 200.1
    octyl acetate 127.68
    limonene 127.63
    1,2-dimethoxyethane 615.46
    ethyl orthosilicate 100.15
    tributyl phosphate 97.98
    diacetone alcohol 197.17
    N,N-dimethylaniline 211.7
    acrylonitrile 412.66
    aniline 335.83
    1,3-propanediol 358.6
    bromobenzene 372.73
    dibromomethane 619.05
    1,1,2,2-tetrachloroethane 791.31
    2-methyl-cyclohexyl acetate 153.12
    tetrabutyl urea 146.06
    diisobutyl methanol 91.65
    2-phenylethanol 224.14
    styrene 221.43
    dioctyl adipate 149.7
    dimethyl sulfate 182.87
    ethyl butyrate 156.81
    methyl lactate 147.27
    butyl lactate 147.4
    diethyl carbonate 129.66
    propanediol butyl ether 245.78
    triethyl orthoformate 131.89
    p-tert-butyltoluene 77.73
    methyl 4-tert-butylbenzoate 197.67
    morpholine 807.92
    tert-butylamine 262.04
    n-dodecanol 84.03
    dimethoxymethane 355.88
    ethylene carbonate 246.83
    cyrene 229.89
    2-ethoxyethyl acetate 206.57
    2-ethylhexyl acetate 149.31
    1,2,4-trichlorobenzene 376.51
    4-methylpyridine 622.91
    dibutyl ether 164.63
    2,6-dimethyl-4-heptanol 91.65
    DEF 367.79
    dimethyl isosorbide 334.89
    tetrachloroethylene 553.59
    eugenol 239.32
    triacetin 228.28
    span 80 252.76
    1,4-butanediol 180.32
    1,1-dichloroethane 473.69
    2-methyl-1-pentanol 233.4
    methyl formate 313.83
    2-methyl-1-butanol 249.81
    n-decane 33.61
    butyronitrile 327.51
    3,7-dimethyl-1-octanol 138.64
    1-chlorooctane 112.28
    1-chlorotetradecane 52.44
    n-nonane 33.57
    undecane 26.6
    tert-butylcyclohexane 47.32
    cyclooctane 46.31
    cyclopentanol 379.92
    tetrahydropyran 605.33
    tert-amyl methyl ether 190.36
    2,5,8-trioxanonane 460.52
    1-hexene 203.04
    2-isopropoxyethanol 234.72
    2,2,2-trifluoroethanol 199.86
    methyl butyrate 218.8

    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