Ethyl 2-methyl-3-(methylthio)propanoate

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  • Identifiers

    CAS number
    233665-97-9

    Molecular formula
    C7H14O2S

    SMILES
    CCOC(=O)C(C)CSC

  • Odor profile

    Fragrance
    Fruity 95.51%
    Tropical 80.98%
    Sulfurous 71.55%
    Green 65.21%
    Pineapple 55.44%
    Cheesy 44.93%
    Sweet 44.9%
    Vegetable 43.15%
    Onion 37.48%
    Ripe 34.31%

     

    Flavor
    Fruity 72.18%
    Tropical 44.25%
    Pineapple 41.85%
    Sulfury 38.04%
    Sweet 35.1%
    Cheese 34.89%
    Ripe 33.52%
    Sulfurous 32.99%
    Berry 32.44%
    Vegetable 30.95%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.16 (neutral)

    Molecular weight
    162.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point

    • 69.58 ˚C est.

  • Synonyms

    • SCHEMBL12707546
    • DTXSID101278778
    • AKOS010984490
    • Ethyl 2-methyl-3-(methylthio)propanoate
    • 233665-97-9

  • Applications

    Ethyl 2-methyl-3-(methylthio)propanoate (CAS 233665-97-9) is primarily used as an aroma-related intermediate and fragrance ingredient in perfumery, contributing fruity and sulfurous notes; it may also serve as a flavor precursor or aroma component in flavor formulations, depending on regulatory compliance. In cosmetics and personal care, it is used as a fragrance additive. In household products, it can impart scent in cleaners and air fresheners. In industrial manufacturing, it functions as a building block for the synthesis of sulfur-containing esters and other specialty chemicals. In coatings, inks, and adhesives, it may be incorporated as an odorant additive to introduce or enhance fragrance. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3233.8
    methanol 4635.49
    isopropanol 2580.85
    water 10.0
    ethyl acetate 1504.69
    n-propanol 2412.23
    acetone 2957.54
    n-butanol 2049.97
    acetonitrile 2843.88
    DMF 3084.05
    toluene 1302.07
    isobutanol 1879.4
    1,4-dioxane 3588.32
    methyl acetate 1715.83
    THF 3071.94
    2-butanone 2100.21
    n-pentanol 1705.69
    sec-butanol 2131.84
    n-hexane 390.01
    ethylene glycol 640.51
    NMP 2437.02
    cyclohexane 760.02
    DMSO 2828.78
    n-butyl acetate 1465.35
    n-octanol 874.53
    chloroform 6855.58
    n-propyl acetate 1298.17
    acetic acid 3421.68
    dichloromethane 5228.22
    cyclohexanone 3411.45
    propylene glycol 726.33
    isopropyl acetate 917.06
    DMAc 2143.35
    2-ethoxyethanol 1959.33
    isopentanol 1636.49
    n-heptane 228.14
    ethyl formate 1418.08
    1,2-dichloroethane 2922.64
    n-hexanol 1502.87
    2-methoxyethanol 2736.55
    isobutyl acetate 758.78
    tetrachloromethane 1315.08
    n-pentyl acetate 1060.18
    transcutol 3181.04
    n-heptanol 765.85
    ethylbenzene 750.65
    MIBK 952.56
    2-propoxyethanol 1858.52
    tert-butanol 2442.61
    MTBE 1901.95
    2-butoxyethanol 1163.25
    propionic acid 1837.62
    o-xylene 784.0
    formic acid 1154.9
    diethyl ether 1695.79
    m-xylene 782.08
    p-xylene 1049.8
    chlorobenzene 1895.1
    dimethyl carbonate 464.1
    n-octane 115.11
    formamide 1376.73
    cyclopentanone 2805.32
    2-pentanone 1519.64
    anisole 1260.86
    cyclopentyl methyl ether 1599.26
    gamma-butyrolactone 2680.15
    1-methoxy-2-propanol 1725.1
    pyridine 3385.79
    3-pentanone 1127.19
    furfural 2857.26
    n-dodecane 89.25
    diethylene glycol 1230.96
    diisopropyl ether 492.9
    tert-amyl alcohol 1977.21
    acetylacetone 1472.62
    n-hexadecane 102.67
    acetophenone 1224.45
    methyl propionate 1048.15
    isopentyl acetate 1167.44
    trichloroethylene 5827.27
    n-nonanol 679.51
    cyclohexanol 2275.26
    benzyl alcohol 1319.38
    2-ethylhexanol 858.8
    isooctanol 623.25
    dipropyl ether 806.27
    1,2-dichlorobenzene 1503.6
    ethyl lactate 482.23
    propylene carbonate 1515.04
    n-methylformamide 1983.84
    2-pentanol 1373.24
    n-pentane 349.88
    1-propoxy-2-propanol 1250.14
    1-methoxy-2-propyl acetate 924.99
    2-(2-methoxypropoxy) propanol 751.4
    mesitylene 508.43
    ε-caprolactone 2504.86
    p-cymene 423.34
    epichlorohydrin 2934.0
    1,1,1-trichloroethane 3178.23
    2-aminoethanol 1226.09
    morpholine-4-carbaldehyde 2560.59
    sulfolane 2693.04
    2,2,4-trimethylpentane 166.91
    2-methyltetrahydrofuran 2742.21
    n-hexyl acetate 1352.07
    isooctane 115.06
    2-(2-butoxyethoxy)ethanol 1083.66
    sec-butyl acetate 748.07
    tert-butyl acetate 963.29
    decalin 266.43
    glycerin 904.94
    diglyme 2250.03
    acrylic acid 1648.04
    isopropyl myristate 428.65
    n-butyric acid 2306.19
    acetyl acetate 983.3
    di(2-ethylhexyl) phthalate 410.53
    ethyl propionate 867.69
    nitromethane 3765.78
    1,2-diethoxyethane 1387.37
    benzonitrile 2254.61
    trioctyl phosphate 320.67
    1-bromopropane 1923.41
    gamma-valerolactone 3556.08
    n-decanol 436.75
    triethyl phosphate 373.13
    4-methyl-2-pentanol 686.6
    propionitrile 2105.32
    vinylene carbonate 1691.62
    1,1,2-trichlorotrifluoroethane 2185.17
    DMS 725.0
    cumene 468.53
    2-octanol 662.02
    2-hexanone 1479.95
    octyl acetate 559.46
    limonene 656.03
    1,2-dimethoxyethane 2992.3
    ethyl orthosilicate 380.53
    tributyl phosphate 398.91
    diacetone alcohol 1041.6
    N,N-dimethylaniline 845.06
    acrylonitrile 2383.28
    aniline 1524.22
    1,3-propanediol 1678.78
    bromobenzene 1999.81
    dibromomethane 3720.77
    1,1,2,2-tetrachloroethane 4377.23
    2-methyl-cyclohexyl acetate 718.74
    tetrabutyl urea 509.49
    diisobutyl methanol 460.58
    2-phenylethanol 1021.85
    styrene 1067.88
    dioctyl adipate 587.66
    dimethyl sulfate 684.83
    ethyl butyrate 864.88
    methyl lactate 558.85
    butyl lactate 714.8
    diethyl carbonate 587.1
    propanediol butyl ether 1057.63
    triethyl orthoformate 584.91
    p-tert-butyltoluene 383.47
    methyl 4-tert-butylbenzoate 787.56
    morpholine 3732.17
    tert-butylamine 1620.74
    n-dodecanol 314.39
    dimethoxymethane 1416.63
    ethylene carbonate 1453.85
    cyrene 750.77
    2-ethoxyethyl acetate 1092.08
    2-ethylhexyl acetate 909.52
    1,2,4-trichlorobenzene 1660.88
    4-methylpyridine 3402.7
    dibutyl ether 889.22
    2,6-dimethyl-4-heptanol 460.58
    DEF 1834.56
    dimethyl isosorbide 1125.46
    tetrachloroethylene 3330.58
    eugenol 859.1
    triacetin 883.71
    span 80 803.42
    1,4-butanediol 865.35
    1,1-dichloroethane 3364.55
    2-methyl-1-pentanol 1392.83
    methyl formate 1467.89
    2-methyl-1-butanol 1615.93
    n-decane 160.44
    butyronitrile 2386.6
    3,7-dimethyl-1-octanol 687.8
    1-chlorooctane 598.77
    1-chlorotetradecane 210.48
    n-nonane 170.83
    undecane 112.85
    tert-butylcyclohexane 225.0
    cyclooctane 200.51
    cyclopentanol 2126.76
    tetrahydropyran 3411.79
    tert-amyl methyl ether 1232.09
    2,5,8-trioxanonane 1234.02
    1-hexene 1228.46
    2-isopropoxyethanol 1262.36
    2,2,2-trifluoroethanol 880.02
    methyl butyrate 1461.78

    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