S-Methyl thioacetate

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  • Identifiers

    CAS number
    1534-08-3

    Molecular formula
    C3H6OS

    SMILES
    CC(=O)SC

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 85.02%
    Vegetable 67.15%
    Onion 61.33%
    Cheesy 61.22%
    Garlic 60.76%
    Cabbage 57.1%
    Alliaceous 53.37%
    Meaty 51.21%
    Tomato 45.31%
    Potato 44.82%

     

    Flavor
    Sulfurous 68.81%
    Garlic 59.89%
    Onion 51.44%
    Vegetable 48.93%
    Cabbage 45.94%
    Sulfury 42.37%
    Cheese 42.33%
    Sulfur 37.72%
    Dairy 37.54%
    Tomato 37.01%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    9.21 (weak base)

    Molecular weight
    90.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 95.00 to 96.00 °C. @ 760.00 mm Hg

    Flash point

    • 15.27 ˚C est.

    Solubility expt.

    • soluble in oil and alcohol

  • Synonyms

    • S-Methyl thioacetate
    • 1534-08-3
    • S-Methyl ethanethioate
    • Ethanethioic acid, S-methyl ester
    • Methylthioacetate
    • Methanethiol acetate
    • S-METHYLTHIOACETATE
    • Thioacetic acid S-methyl ester
    • methyl ethanethioate
    • Methyl thiolacetate
    • CH3C(O)SCH3
    • Acetic acid, thio-, S-methyl ester
    • PF2D4MWX79
    • 1-(methylsulfanyl)ethan-1-one
    • EINECS 216-252-1
    • S-METHYLTHIOACETIC ACID
    • Ethanethioic acid, methyl ester
    • DTXSID3073264
    • FEMA NO. 3876
    • CHEBI:51280
    • S-METHYL THIOACETATE [FHFI]
    • UNII-PF2D4MWX79
    • AcSMe
    • MFCD00014989
    • S-Methyl ethanethioate #
    • DTXCID8034956
    • FEMA 3876
    • DTXCID20285251
    • S-Methyl thioacetate, AldrichCPR
    • AKOS006229807
    • CS-0154991
    • M2286
    • NS00021690
    • S-Methyl thioacetate, natural, >=96%, FG
    • D82067
    • EN300-7016730
    • Q27104783
    • 216-252-1

  • Applications

    S-Methyl thioacetate (CAS 1534-08-3) may be used as a sulfur-containing building block in organic synthesis and as an odorant in fragrance and flavor applications. In perfumery and cosmetics, it may serve as an aroma precursor or active odorant component. It is commonly evaluated as an intermediate in industrial manufacturing to introduce thioester functionality into more complex molecules. In coatings and adhesives, it can act as a precursor to sulfur-containing monomers or additives. In household cleaning products, it may contribute fragrance notes as part of odor profiles.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1416.73
    methanol 2372.57
    isopropanol 973.94
    water 419.06
    ethyl acetate 548.02
    n-propanol 879.81
    acetone 961.93
    n-butanol 783.88
    acetonitrile 1339.04
    DMF 1416.64
    toluene 241.12
    isobutanol 632.56
    1,4-dioxane 840.75
    methyl acetate 835.46
    THF 746.19
    2-butanone 726.24
    n-pentanol 537.93
    sec-butanol 814.29
    n-hexane 96.12
    ethylene glycol 495.35
    NMP 1136.22
    cyclohexane 71.95
    DMSO 718.15
    n-butyl acetate 177.03
    n-octanol 300.75
    chloroform 1568.28
    n-propyl acetate 269.78
    acetic acid 1403.22
    dichloromethane 1152.43
    cyclohexanone 590.44
    propylene glycol 567.35
    isopropyl acetate 293.77
    DMAc 1226.91
    2-ethoxyethanol 850.15
    isopentanol 551.3
    n-heptane 61.31
    ethyl formate 517.24
    1,2-dichloroethane 464.54
    n-hexanol 358.19
    2-methoxyethanol 1322.94
    isobutyl acetate 150.22
    tetrachloromethane 445.37
    n-pentyl acetate 238.0
    transcutol 1216.15
    n-heptanol 299.74
    ethylbenzene 149.75
    MIBK 243.44
    2-propoxyethanol 558.31
    tert-butanol 846.24
    MTBE 491.51
    2-butoxyethanol 487.19
    propionic acid 924.1
    o-xylene 214.09
    formic acid 1123.47
    diethyl ether 525.44
    m-xylene 168.98
    p-xylene 226.86
    chlorobenzene 309.23
    dimethyl carbonate 223.23
    n-octane 34.02
    formamide 1490.53
    cyclopentanone 728.44
    2-pentanone 442.09
    anisole 373.39
    cyclopentyl methyl ether 390.95
    gamma-butyrolactone 833.07
    1-methoxy-2-propanol 890.84
    pyridine 770.25
    3-pentanone 359.5
    furfural 935.92
    n-dodecane 23.63
    diethylene glycol 484.02
    diisopropyl ether 137.82
    tert-amyl alcohol 789.47
    acetylacetone 432.45
    n-hexadecane 25.08
    acetophenone 337.39
    methyl propionate 484.07
    isopentyl acetate 148.62
    trichloroethylene 1029.41
    n-nonanol 245.95
    cyclohexanol 469.89
    benzyl alcohol 407.92
    2-ethylhexanol 192.39
    isooctanol 219.09
    dipropyl ether 182.76
    1,2-dichlorobenzene 295.33
    ethyl lactate 191.16
    propylene carbonate 400.38
    n-methylformamide 1181.54
    2-pentanol 544.06
    n-pentane 108.08
    1-propoxy-2-propanol 358.16
    1-methoxy-2-propyl acetate 204.81
    2-(2-methoxypropoxy) propanol 302.25
    mesitylene 103.19
    ε-caprolactone 555.21
    p-cymene 90.04
    epichlorohydrin 725.49
    1,1,1-trichloroethane 671.03
    2-aminoethanol 850.01
    morpholine-4-carbaldehyde 1095.68
    sulfolane 638.1
    2,2,4-trimethylpentane 55.5
    2-methyltetrahydrofuran 644.31
    n-hexyl acetate 317.97
    isooctane 28.56
    2-(2-butoxyethoxy)ethanol 458.26
    sec-butyl acetate 190.33
    tert-butyl acetate 252.42
    decalin 51.26
    glycerin 654.35
    diglyme 758.8
    acrylic acid 871.19
    isopropyl myristate 103.05
    n-butyric acid 795.25
    acetyl acetate 318.07
    di(2-ethylhexyl) phthalate 106.76
    ethyl propionate 236.8
    nitromethane 1883.14
    1,2-diethoxyethane 307.45
    benzonitrile 444.84
    trioctyl phosphate 81.09
    1-bromopropane 338.04
    gamma-valerolactone 1030.92
    n-decanol 158.85
    triethyl phosphate 89.2
    4-methyl-2-pentanol 258.23
    propionitrile 689.07
    vinylene carbonate 419.07
    1,1,2-trichlorotrifluoroethane 847.86
    DMS 211.96
    cumene 117.53
    2-octanol 221.95
    2-hexanone 312.35
    octyl acetate 149.42
    limonene 124.85
    1,2-dimethoxyethane 810.0
    ethyl orthosilicate 94.03
    tributyl phosphate 85.85
    diacetone alcohol 388.42
    N,N-dimethylaniline 286.94
    acrylonitrile 878.16
    aniline 457.48
    1,3-propanediol 862.12
    bromobenzene 251.53
    dibromomethane 688.15
    1,1,2,2-tetrachloroethane 830.46
    2-methyl-cyclohexyl acetate 141.76
    tetrabutyl urea 119.17
    diisobutyl methanol 100.73
    2-phenylethanol 270.83
    styrene 189.77
    dioctyl adipate 139.62
    dimethyl sulfate 315.05
    ethyl butyrate 159.38
    methyl lactate 339.99
    butyl lactate 205.18
    diethyl carbonate 109.62
    propanediol butyl ether 456.57
    triethyl orthoformate 124.33
    p-tert-butyltoluene 84.99
    methyl 4-tert-butylbenzoate 253.03
    morpholine 1004.47
    tert-butylamine 526.49
    n-dodecanol 110.17
    dimethoxymethane 586.58
    ethylene carbonate 313.1
    cyrene 290.33
    2-ethoxyethyl acetate 326.74
    2-ethylhexyl acetate 123.09
    1,2,4-trichlorobenzene 373.79
    4-methylpyridine 758.78
    dibutyl ether 211.74
    2,6-dimethyl-4-heptanol 100.73
    DEF 634.56
    dimethyl isosorbide 320.32
    tetrachloroethylene 676.55
    eugenol 298.43
    triacetin 299.73
    span 80 288.36
    1,4-butanediol 399.83
    1,1-dichloroethane 725.59
    2-methyl-1-pentanol 432.56
    methyl formate 747.12
    2-methyl-1-butanol 600.12
    n-decane 45.72
    butyronitrile 617.99
    3,7-dimethyl-1-octanol 207.66
    1-chlorooctane 151.41
    1-chlorotetradecane 51.94
    n-nonane 46.81
    undecane 30.46
    tert-butylcyclohexane 54.78
    cyclooctane 29.98
    cyclopentanol 581.34
    tetrahydropyran 586.08
    tert-amyl methyl ether 391.79
    2,5,8-trioxanonane 461.58
    1-hexene 248.8
    2-isopropoxyethanol 523.54
    2,2,2-trifluoroethanol 724.63
    methyl butyrate 332.17

    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