S-Methyl 2-propoxypropanethioate

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  • Identifiers

    CAS number
    93940-60-4

    Molecular formula
    C7H14O2S

    SMILES
    CCCOC(C)C(=O)SC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 67.33%
    Sulfurous 67.29%
    Tropical 55.23%
    Cheesy 43.23%
    Meaty 41.53%
    Green 40.23%
    Vegetable 40.17%
    Onion 38.14%
    Roasted 34.53%
    Savory 33.17%

     

    Flavor
    Sulfurous 46.21%
    Onion 43.35%
    Sulfury 37.67%
    Cheese 33.74%
    Cabbage 32.29%
    Vegetable 30.93%
    Fruity 30.66%
    Roasted 30.56%
    Cooked 30.3%
    Garlic 30.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.09 (weak base)

    Molecular weight
    162.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    200°C

    Flash point

    • 64.14 ˚C est.

  • Synonyms

    • S-Methyl 2-propoxypropanethioate
    • 93940-60-4
    • EINECS 300-457-9
    • DTXSID20917005
    • RefChem:180677
    • DTXCID501345965
    • 300-457-9
    • LCIGYKJDIBCNQK-UHFFFAOYSA-N
    • NS00063942
    • 93940-60-4

  • Applications

    S-Methyl 2-propoxypropanethioate (CAS 93940-60-4) is typically regarded as an organic synthesis intermediate, enabling formation of thioester linkages and functional derivatives for more complex molecules. In fragrance and cosmetics, it may be used as a precursor or intermediate to craft scent compounds in formulation of perfumes and personal care products. In the industrial chemicals and coatings sector, it can serve as a precursor for specialized polymerization or coating chemistries, and it may appear as an intermediate in cleaning formulations and process chemicals. Its exact use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1774.2
    methanol 2572.45
    isopropanol 1275.92
    water 9.78
    ethyl acetate 1149.95
    n-propanol 1380.34
    acetone 1786.1
    n-butanol 1219.36
    acetonitrile 2160.79
    DMF 1548.63
    toluene 776.2
    isobutanol 1051.16
    1,4-dioxane 2427.19
    methyl acetate 1428.73
    THF 2088.12
    2-butanone 1426.16
    n-pentanol 987.63
    sec-butanol 1295.35
    n-hexane 210.75
    ethylene glycol 414.8
    NMP 1718.3
    cyclohexane 628.16
    DMSO 1647.73
    n-butyl acetate 1244.47
    n-octanol 570.1
    chloroform 5304.3
    n-propyl acetate 1056.14
    acetic acid 2839.96
    dichloromethane 4115.97
    cyclohexanone 2386.69
    propylene glycol 409.93
    isopropyl acetate 660.89
    DMAc 1286.27
    2-ethoxyethanol 1398.89
    isopentanol 978.71
    n-heptane 172.35
    ethyl formate 1131.74
    1,2-dichloroethane 2127.94
    n-hexanol 974.46
    2-methoxyethanol 1797.62
    isobutyl acetate 596.16
    tetrachloromethane 1117.34
    n-pentyl acetate 849.1
    transcutol 2858.78
    n-heptanol 509.1
    ethylbenzene 532.62
    MIBK 579.59
    2-propoxyethanol 1326.31
    tert-butanol 1450.51
    MTBE 1215.51
    2-butoxyethanol 856.81
    propionic acid 1361.86
    o-xylene 551.26
    formic acid 906.56
    diethyl ether 1185.7
    m-xylene 464.36
    p-xylene 798.42
    chlorobenzene 1487.94
    dimethyl carbonate 291.98
    n-octane 83.86
    formamide 1124.46
    cyclopentanone 1987.61
    2-pentanone 953.7
    anisole 919.37
    cyclopentyl methyl ether 1121.78
    gamma-butyrolactone 2212.08
    1-methoxy-2-propanol 986.96
    pyridine 2458.61
    3-pentanone 773.94
    furfural 2450.82
    n-dodecane 65.9
    diethylene glycol 953.01
    diisopropyl ether 334.25
    tert-amyl alcohol 1286.78
    acetylacetone 974.64
    n-hexadecane 77.15
    acetophenone 957.74
    methyl propionate 746.59
    isopentyl acetate 974.82
    trichloroethylene 4748.95
    n-nonanol 459.47
    cyclohexanol 1534.11
    benzyl alcohol 975.89
    2-ethylhexanol 671.64
    isooctanol 415.83
    dipropyl ether 581.28
    1,2-dichlorobenzene 1256.83
    ethyl lactate 383.78
    propylene carbonate 1257.34
    n-methylformamide 1211.26
    2-pentanol 784.65
    n-pentane 196.93
    1-propoxy-2-propanol 918.51
    1-methoxy-2-propyl acetate 704.54
    2-(2-methoxypropoxy) propanol 602.34
    mesitylene 315.64
    ε-caprolactone 1950.77
    p-cymene 367.56
    epichlorohydrin 2302.51
    1,1,1-trichloroethane 2505.03
    2-aminoethanol 717.71
    morpholine-4-carbaldehyde 1934.82
    sulfolane 2200.8
    2,2,4-trimethylpentane 124.78
    2-methyltetrahydrofuran 1980.58
    n-hexyl acetate 1066.25
    isooctane 76.01
    2-(2-butoxyethoxy)ethanol 859.07
    sec-butyl acetate 600.25
    tert-butyl acetate 697.51
    decalin 196.05
    glycerin 568.69
    diglyme 1863.98
    acrylic acid 1260.95
    isopropyl myristate 343.45
    n-butyric acid 1745.97
    acetyl acetate 787.61
    di(2-ethylhexyl) phthalate 327.03
    ethyl propionate 690.96
    nitromethane 3352.74
    1,2-diethoxyethane 1210.16
    benzonitrile 1714.68
    trioctyl phosphate 240.22
    1-bromopropane 1251.55
    gamma-valerolactone 2536.75
    n-decanol 309.22
    triethyl phosphate 334.33
    4-methyl-2-pentanol 412.19
    propionitrile 1479.36
    vinylene carbonate 1364.13
    1,1,2-trichlorotrifluoroethane 1788.95
    DMS 609.3
    cumene 354.34
    2-octanol 429.66
    2-hexanone 997.84
    octyl acetate 435.19
    limonene 580.34
    1,2-dimethoxyethane 2026.45
    ethyl orthosilicate 348.72
    tributyl phosphate 321.96
    diacetone alcohol 673.83
    N,N-dimethylaniline 594.04
    acrylonitrile 1788.77
    aniline 1044.08
    1,3-propanediol 1067.01
    bromobenzene 1570.66
    dibromomethane 2763.56
    1,1,2,2-tetrachloroethane 3432.25
    2-methyl-cyclohexyl acetate 617.91
    tetrabutyl urea 396.89
    diisobutyl methanol 348.55
    2-phenylethanol 800.39
    styrene 767.73
    dioctyl adipate 479.65
    dimethyl sulfate 465.96
    ethyl butyrate 769.46
    methyl lactate 394.97
    butyl lactate 567.67
    diethyl carbonate 542.43
    propanediol butyl ether 737.35
    triethyl orthoformate 545.35
    p-tert-butyltoluene 320.67
    methyl 4-tert-butylbenzoate 615.85
    morpholine 2555.33
    tert-butylamine 1010.86
    n-dodecanol 226.98
    dimethoxymethane 794.86
    ethylene carbonate 1123.69
    cyrene 638.59
    2-ethoxyethyl acetate 907.55
    2-ethylhexyl acetate 778.09
    1,2,4-trichlorobenzene 1468.22
    4-methylpyridine 2291.38
    dibutyl ether 708.26
    2,6-dimethyl-4-heptanol 348.55
    DEF 1161.81
    dimethyl isosorbide 969.09
    tetrachloroethylene 2832.13
    eugenol 649.3
    triacetin 785.05
    span 80 620.95
    1,4-butanediol 555.48
    1,1-dichloroethane 2343.03
    2-methyl-1-pentanol 864.41
    methyl formate 1047.71
    2-methyl-1-butanol 981.5
    n-decane 119.33
    butyronitrile 1617.1
    3,7-dimethyl-1-octanol 499.63
    1-chlorooctane 441.05
    1-chlorotetradecane 159.54
    n-nonane 124.8
    undecane 84.25
    tert-butylcyclohexane 167.05
    cyclooctane 147.18
    cyclopentanol 1377.18
    tetrahydropyran 2388.35
    tert-amyl methyl ether 826.49
    2,5,8-trioxanonane 1024.61
    1-hexene 699.21
    2-isopropoxyethanol 918.11
    2,2,2-trifluoroethanol 765.63
    methyl butyrate 1117.55

    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