Ethyl 2-methyl-2-(methylthio)propionate

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  • Identifiers

    CAS number
    49773-24-2

    Molecular formula
    C7H14O2S

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 94.42%
    Tropical 74.82%
    Sulfurous 70.65%
    Green 68.52%
    Vegetable 40.16%
    Ethereal 38.46%
    Black currant 36.12%
    Meaty 34.07%
    Cheesy 31.8%
    Berry 31.5%

     

    Flavor
    Fruity 80.55%
    Green 51.64%
    Sweet 46.29%
    Tropical 43.81%
    Pineapple 39.87%
    Citrus 33.82%
    Apple 33.39%
    Berry 33.08%
    Fruit 32.01%
    Floral 31.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.6 (neutral)

    Molecular weight
    162.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    181°C

    Flash point

    • 67.73 ˚C est.

  • Synonyms

    • Ethyl 2-methyl-2-(methylthio)propionate
    • 49773-24-2
    • ethyl 2-methyl-2-methylsulfanylpropanoate
    • ethyl 2-methyl-2-(methylthio)propanoate
    • Propanoic acid, 2-methyl-2-(methylthio)-, ethyl ester
    • EINECS 256-483-5
    • DTXSID40198036
    • ethyl 2-methyl-2-(methylsulfanyl)propanoate
    • M2N6KV7ZBD
    • SCHEMBL4080954
    • DTXCID70120527
    • MFCD00053099
    • AKOS025396917
    • DA-20204
    • Ethyl2-methyl-2-methylsulfanyl-propanoate
    • Ethyl 2-methyl-2-methylsulfanyl-propanoate
    • ethyl 2-methyl-2-(methyl thio) propionate
    • CS-0365131
    • NS00031966
    • 2-methyl-2-(methylthio)-propanoic acid ethyl ester
    • 2-Methylsulfanyl-2-methylpropanoic acid ethyl ester
    • 256-483-5

  • Applications

    Ethyl 2-methyl-2-(methylthio)propionate (CAS 49773-24-2) is the ethyl ester of 2-methyl-2-(methylthio)propionic acid and is primarily used as an intermediate in chemical synthesis; it is commonly evaluated as an odorant/fragrance ingredient for perfumery and food flavor applications and may be used in cosmetics and personal care products as a fragrance component. In industrial contexts, the compound can serve as a building block for sulfur-containing esters and may function as a specialty solvent or resin-system component for targeted applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1192.12
    methanol 1357.31
    isopropanol 1231.65
    water 25.98
    ethyl acetate 990.95
    n-propanol 1131.26
    acetone 1367.67
    n-butanol 946.67
    acetonitrile 1383.23
    DMF 1806.02
    toluene 786.13
    isobutanol 921.97
    1,4-dioxane 1841.31
    methyl acetate 1231.83
    THF 1678.9
    2-butanone 1282.59
    n-pentanol 790.1
    sec-butanol 1342.83
    n-hexane 217.05
    ethylene glycol 335.54
    NMP 1596.8
    cyclohexane 446.16
    DMSO 1003.68
    n-butyl acetate 865.85
    n-octanol 820.56
    chloroform 5590.01
    n-propyl acetate 829.93
    acetic acid 1231.46
    dichloromethane 3836.03
    cyclohexanone 1959.14
    propylene glycol 535.56
    isopropyl acetate 645.53
    DMAc 1377.71
    2-ethoxyethanol 1000.02
    isopentanol 775.59
    n-heptane 184.97
    ethyl formate 1020.57
    1,2-dichloroethane 1761.98
    n-hexanol 912.15
    2-methoxyethanol 1308.34
    isobutyl acetate 538.98
    tetrachloromethane 1179.03
    n-pentyl acetate 768.81
    transcutol 1412.09
    n-heptanol 688.82
    ethylbenzene 657.83
    MIBK 589.75
    2-propoxyethanol 992.17
    tert-butanol 1448.2
    MTBE 1133.01
    2-butoxyethanol 845.55
    propionic acid 1080.87
    o-xylene 673.53
    formic acid 480.7
    diethyl ether 843.87
    m-xylene 592.95
    p-xylene 966.88
    chlorobenzene 1176.26
    dimethyl carbonate 373.92
    n-octane 125.47
    formamide 670.88
    cyclopentanone 1844.88
    2-pentanone 890.16
    anisole 1016.6
    cyclopentyl methyl ether 929.12
    gamma-butyrolactone 1959.0
    1-methoxy-2-propanol 986.18
    pyridine 1646.17
    3-pentanone 772.38
    furfural 1870.3
    n-dodecane 109.09
    diethylene glycol 692.12
    diisopropyl ether 359.69
    tert-amyl alcohol 1431.99
    acetylacetone 1003.14
    n-hexadecane 122.75
    acetophenone 1001.03
    methyl propionate 771.99
    isopentyl acetate 790.52
    trichloroethylene 4032.39
    n-nonanol 661.75
    cyclohexanol 1312.2
    benzyl alcohol 867.87
    2-ethylhexanol 638.48
    isooctanol 571.55
    dipropyl ether 513.05
    1,2-dichlorobenzene 1196.43
    ethyl lactate 471.22
    propylene carbonate 1275.75
    n-methylformamide 1111.22
    2-pentanol 819.28
    n-pentane 196.74
    1-propoxy-2-propanol 776.95
    1-methoxy-2-propyl acetate 655.66
    2-(2-methoxypropoxy) propanol 673.96
    mesitylene 442.07
    ε-caprolactone 1629.41
    p-cymene 453.9
    epichlorohydrin 1806.58
    1,1,1-trichloroethane 2492.8
    2-aminoethanol 655.91
    morpholine-4-carbaldehyde 1689.36
    sulfolane 1961.69
    2,2,4-trimethylpentane 164.16
    2-methyltetrahydrofuran 1509.88
    n-hexyl acetate 1115.98
    isooctane 113.79
    2-(2-butoxyethoxy)ethanol 841.95
    sec-butyl acetate 571.41
    tert-butyl acetate 747.12
    decalin 231.63
    glycerin 593.81
    diglyme 1448.94
    acrylic acid 956.24
    isopropyl myristate 434.69
    n-butyric acid 1178.44
    acetyl acetate 738.21
    di(2-ethylhexyl) phthalate 399.14
    ethyl propionate 685.08
    nitromethane 2033.15
    1,2-diethoxyethane 697.38
    benzonitrile 1397.32
    trioctyl phosphate 335.22
    1-bromopropane 1124.41
    gamma-valerolactone 2205.28
    n-decanol 490.01
    triethyl phosphate 380.55
    4-methyl-2-pentanol 457.48
    propionitrile 1128.88
    vinylene carbonate 1448.9
    1,1,2-trichlorotrifluoroethane 1667.78
    DMS 627.34
    cumene 469.81
    2-octanol 655.97
    2-hexanone 872.79
    octyl acetate 571.78
    limonene 601.05
    1,2-dimethoxyethane 1465.63
    ethyl orthosilicate 366.37
    tributyl phosphate 365.6
    diacetone alcohol 799.17
    N,N-dimethylaniline 732.89
    acrylonitrile 1450.7
    aniline 890.76
    1,3-propanediol 797.56
    bromobenzene 1300.49
    dibromomethane 2526.1
    1,1,2,2-tetrachloroethane 3316.64
    2-methyl-cyclohexyl acetate 662.24
    tetrabutyl urea 442.07
    diisobutyl methanol 379.91
    2-phenylethanol 781.44
    styrene 746.91
    dioctyl adipate 540.37
    dimethyl sulfate 609.0
    ethyl butyrate 699.24
    methyl lactate 475.28
    butyl lactate 585.95
    diethyl carbonate 527.19
    propanediol butyl ether 858.83
    triethyl orthoformate 508.62
    p-tert-butyltoluene 448.07
    methyl 4-tert-butylbenzoate 833.58
    morpholine 1762.5
    tert-butylamine 1067.51
    n-dodecanol 369.4
    dimethoxymethane 828.65
    ethylene carbonate 1074.5
    cyrene 702.34
    2-ethoxyethyl acetate 708.77
    2-ethylhexyl acetate 657.55
    1,2,4-trichlorobenzene 1466.58
    4-methylpyridine 1709.37
    dibutyl ether 607.44
    2,6-dimethyl-4-heptanol 379.91
    DEF 1090.38
    dimethyl isosorbide 988.97
    tetrachloroethylene 2169.58
    eugenol 784.75
    triacetin 840.67
    span 80 724.14
    1,4-butanediol 477.79
    1,1-dichloroethane 2369.65
    2-methyl-1-pentanol 746.76
    methyl formate 990.34
    2-methyl-1-butanol 881.74
    n-decane 186.86
    butyronitrile 1163.09
    3,7-dimethyl-1-octanol 634.46
    1-chlorooctane 581.92
    1-chlorotetradecane 241.35
    n-nonane 194.35
    undecane 136.12
    tert-butylcyclohexane 221.3
    cyclooctane 154.21
    cyclopentanol 1311.3
    tetrahydropyran 1631.15
    tert-amyl methyl ether 888.7
    2,5,8-trioxanonane 950.81
    1-hexene 596.64
    2-isopropoxyethanol 733.66
    2,2,2-trifluoroethanol 568.6
    methyl butyrate 960.29

    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