S-Methyl 2-(acetyloxy)propanethioate

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  • Identifiers

    CAS number
    74586-09-7

    Molecular formula
    C6H10O3S

    SMILES
    CC(C(=O)SC)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 84.47%
    Sulfurous 77.11%
    Tropical 69.89%
    Cheesy 51.32%
    Meaty 40.12%
    Roasted 35.35%
    Onion 32.0%
    Dairy 31.93%
    Grape 31.67%
    Green 30.77%

     

    Flavor
    Fruity 53.17%
    Creamy 34.52%
    Cheese 28.56%
    Buttery 27.13%
    Cooked 27.07%
    Milky 25.12%
    Tropical 24.46%
    Onion 24.39%
    Cabbage 24.21%
    Butter 24.03%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.91 (neutral)

    Molecular weight
    162.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 73.00 °C. @ 8.50 mm Hg

    Flash point

    • 81.35 ˚C est.

    Solubility expt.

    • slightly
    • slightly soluble in water; soluble in fats

  • Synonyms

    • QA4P09EMIK
    • S-Methyl 2-(acetyloxy)propanethioate
    • FEMA No. 3788
    • Acetyllactic acid thiomethyl ester
    • Methylthio 2-(acetyloxy)propionate
    • EINECS 277-931-6
    • Propanethioic acid, 2-(acetyloxy)-, S-methyl ester
    • 1-METHYL THIOMETHYL ETHYL ACETATE
    • METHYLTHIO 2-(ACETYLOXY)PROPIONATE [FHFI]
    • RefChem:884251
    • (+-), S-METHYL 2-(ACETYLOXY)PROPANETHIOATE
    • S-METHYL 2-(ACETYLOXY)PROPANETHIOATE, (+-)-
    • 74586-09-7
    • 1-(Methylsulfanyl)-1-oxopropan-2-yl acetate
    • UNII-QA4P09EMIK
    • SCHEMBL28576311
    • CHEBI:195761
    • (1-methylsulanyl-1-oxopropan-2-yl) acetate
    • Q27287162
    • (+/-)-, S-METHYL 2-(ACETYLOXY)PROPANETHIOATE
    • S-METHYL 2-(ACETYLOXY)PROPANETHIOATE, (+/-)-
    • 74586-09-7

  • Applications

    S-Methyl 2-(acetyloxy)propanethioate (CAS 74586-09-7) is typically used as an intermediate in organic synthesis and as a precursor to more complex thioester derivatives. In industrial settings, it serves as a reactive building block for acetylated sulfur-containing esters and can be used for downstream synthesis steps. In fragrance and cosmetic chemistry, it may function as an odorant intermediate or a starting point for fragrance compound development, subject to regulatory and formulation limits. It can also find utility in coatings, inks, and polymer applications as a specialty thioester intermediate, and may be investigated in pharmaceutical research as a synthetic starting point for route development. Applications are governed by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 297.42
    methanol 557.4
    isopropanol 214.15
    water 33.91
    ethyl acetate 268.94
    n-propanol 202.69
    acetone 514.23
    n-butanol 180.26
    acetonitrile 668.14
    DMF 836.35
    toluene 184.14
    isobutanol 148.39
    1,4-dioxane 890.49
    methyl acetate 393.32
    THF 621.67
    2-butanone 328.27
    n-pentanol 148.98
    sec-butanol 189.75
    n-hexane 29.71
    ethylene glycol 106.32
    NMP 971.49
    cyclohexane 80.59
    DMSO 817.13
    n-butyl acetate 132.06
    n-octanol 100.53
    chloroform 592.76
    n-propyl acetate 179.47
    acetic acid 480.7
    dichloromethane 910.55
    cyclohexanone 528.68
    propylene glycol 72.23
    isopropyl acetate 135.34
    DMAc 862.12
    2-ethoxyethanol 365.04
    isopentanol 139.78
    n-heptane 21.05
    ethyl formate 315.89
    1,2-dichloroethane 482.06
    n-hexanol 97.07
    2-methoxyethanol 562.93
    isobutyl acetate 88.12
    tetrachloromethane 87.68
    n-pentyl acetate 110.29
    transcutol 634.1
    n-heptanol 63.03
    ethylbenzene 132.5
    MIBK 111.39
    2-propoxyethanol 223.31
    tert-butanol 250.15
    MTBE 197.14
    2-butoxyethanol 134.52
    propionic acid 219.07
    o-xylene 161.43
    formic acid 337.92
    diethyl ether 257.78
    m-xylene 111.06
    p-xylene 187.47
    chlorobenzene 253.59
    dimethyl carbonate 122.3
    n-octane 14.12
    formamide 558.27
    cyclopentanone 512.97
    2-pentanone 210.41
    anisole 287.32
    cyclopentyl methyl ether 251.83
    gamma-butyrolactone 682.31
    1-methoxy-2-propanol 274.38
    pyridine 543.72
    3-pentanone 201.58
    furfural 843.39
    n-dodecane 13.64
    diethylene glycol 214.47
    diisopropyl ether 58.01
    tert-amyl alcohol 212.3
    acetylacetone 312.3
    n-hexadecane 15.43
    acetophenone 286.43
    methyl propionate 230.88
    isopentyl acetate 108.03
    trichloroethylene 790.9
    n-nonanol 87.08
    cyclohexanol 239.5
    benzyl alcohol 229.95
    2-ethylhexanol 74.76
    isooctanol 54.16
    dipropyl ether 94.89
    1,2-dichlorobenzene 267.96
    ethyl lactate 87.42
    propylene carbonate 311.73
    n-methylformamide 489.44
    2-pentanol 109.66
    n-pentane 30.87
    1-propoxy-2-propanol 126.8
    1-methoxy-2-propyl acetate 130.5
    2-(2-methoxypropoxy) propanol 165.71
    mesitylene 69.34
    ε-caprolactone 445.12
    p-cymene 62.12
    epichlorohydrin 651.06
    1,1,1-trichloroethane 316.51
    2-aminoethanol 158.58
    morpholine-4-carbaldehyde 928.89
    sulfolane 726.09
    2,2,4-trimethylpentane 16.32
    2-methyltetrahydrofuran 459.44
    n-hexyl acetate 172.9
    isooctane 8.26
    2-(2-butoxyethoxy)ethanol 224.04
    sec-butyl acetate 102.96
    tert-butyl acetate 135.93
    decalin 34.97
    glycerin 137.99
    diglyme 473.68
    acrylic acid 232.85
    isopropyl myristate 72.2
    n-butyric acid 213.1
    acetyl acetate 212.93
    di(2-ethylhexyl) phthalate 75.26
    ethyl propionate 172.84
    nitromethane 1031.73
    1,2-diethoxyethane 228.81
    benzonitrile 343.31
    trioctyl phosphate 52.95
    1-bromopropane 209.82
    gamma-valerolactone 817.68
    n-decanol 63.8
    triethyl phosphate 84.68
    4-methyl-2-pentanol 59.58
    propionitrile 309.92
    vinylene carbonate 366.36
    1,1,2-trichlorotrifluoroethane 381.48
    DMS 168.57
    cumene 87.93
    2-octanol 57.75
    2-hexanone 176.83
    octyl acetate 92.83
    limonene 87.52
    1,2-dimethoxyethane 719.44
    ethyl orthosilicate 80.53
    tributyl phosphate 71.54
    diacetone alcohol 151.27
    N,N-dimethylaniline 220.28
    acrylonitrile 443.08
    aniline 229.52
    1,3-propanediol 225.26
    bromobenzene 248.42
    dibromomethane 466.51
    1,1,2,2-tetrachloroethane 542.95
    2-methyl-cyclohexyl acetate 119.26
    tetrabutyl urea 110.71
    diisobutyl methanol 43.97
    2-phenylethanol 143.95
    styrene 174.34
    dioctyl adipate 116.93
    dimethyl sulfate 224.94
    ethyl butyrate 132.5
    methyl lactate 112.07
    butyl lactate 85.09
    diethyl carbonate 108.38
    propanediol butyl ether 128.66
    triethyl orthoformate 100.01
    p-tert-butyltoluene 55.65
    methyl 4-tert-butylbenzoate 159.24
    morpholine 715.66
    tert-butylamine 162.06
    n-dodecanol 49.82
    dimethoxymethane 401.33
    ethylene carbonate 284.12
    cyrene 212.11
    2-ethoxyethyl acetate 168.32
    2-ethylhexyl acetate 94.18
    1,2,4-trichlorobenzene 314.56
    4-methylpyridine 554.79
    dibutyl ether 119.24
    2,6-dimethyl-4-heptanol 43.97
    DEF 360.77
    dimethyl isosorbide 289.29
    tetrachloroethylene 350.82
    eugenol 171.3
    triacetin 186.35
    span 80 130.39
    1,4-butanediol 107.0
    1,1-dichloroethane 354.22
    2-methyl-1-pentanol 135.8
    methyl formate 436.88
    2-methyl-1-butanol 142.21
    n-decane 21.8
    butyronitrile 290.79
    3,7-dimethyl-1-octanol 82.09
    1-chlorooctane 74.57
    1-chlorotetradecane 33.38
    n-nonane 21.2
    undecane 16.7
    tert-butylcyclohexane 25.65
    cyclooctane 22.65
    cyclopentanol 257.74
    tetrahydropyran 480.85
    tert-amyl methyl ether 168.19
    2,5,8-trioxanonane 340.8
    1-hexene 93.6
    2-isopropoxyethanol 197.36
    2,2,2-trifluoroethanol 200.0
    methyl butyrate 239.72

    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