1-Methylthio-2-propanone

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  • Identifiers

    CAS number
    14109-72-9

    Molecular formula
    C4H8OS

    SMILES
    CC(=O)CSC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sulfurous 66.51%
    Vegetable 60.66%
    Onion 58.89%
    Garlic 54.5%
    Cabbage 48.21%
    Potato 48.08%
    Cheesy 47.94%
    Alliaceous 47.59%
    Sweet 47.12%
    Meaty 45.85%

     

    Flavor
    Sulfurous 59.1%
    Garlic 58.6%
    Vegetable 56.42%
    Onion 50.63%
    Potato 44.87%
    Sulfury 43.66%
    Mushroom 43.56%
    Meaty 43.13%
    Earthy 41.95%
    Oily 41.13%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    7.0 (neutral)

    Molecular weight
    104.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 35.00 to 40.00 °C. @ 15.00 mm Hg

    Flash point

    • 40.42 ˚C est.

    Solubility expt.

    • very slightly
    • very slightly soluble in water; soluble in alcohols and oils

  • Synonyms

    • 1-methylthio-2-propanone
    • 14109-72-9
    • (Methylthio)acetone
    • 1-methylsulfanylpropan-2-one
    • 2-Propanone, 1-(methylthio)-
    • 1-(methylsulfanyl)propan-2-one
    • 2-Thia-4-pentanone
    • FEMA No. 3882
    • alpha(Methylthio)acetone
    • S6V0DW7BQA
    • 1-Methylthio-2-propanone [FHFI]
    • alpha-(Methylthio)propanone
    • 1-(methylthio)-2-propanone
    • methylthio-2-propanone
    • 1-methylsulfanyl-propan-2-one
    • DTXSID30161572
    • .ALPHA.(METHYLTHIO)ACETONE
    • .ALPHA.-(METHYLTHIO)PROPANONE
    • Acetonyl methyl sulfide
    • UNII-S6V0DW7BQA
    • 1-(methylsulfanyl)acetone
    • MFCD00015325
    • alpha-methylthioacetone
    • (Methylthio)acetone, 8CI
    • 1-methylsulanylpropan-2-one
    • 1-(methylthio)propan-2-one
    • 1-methylsulfanyl-2-propanone
    • SCHEMBL117445
    • DTXCID5084063
    • FEMA 3882
    • CHEBI:179438
    • 1-(Methylthio)-2-propanone, 9CI
    • BBL100878
    • STL554672
    • AKOS009158496
    • AS-59601
    • CS-0206376
    • NS00021643
    • (Methylthio)acetone, alpha(Methylthio)acetone
    • EN300-129613
    • A807726
    • Q27288745
    • F0001-0491
    • 604-217-7

  • Applications

    1-Methylthio-2-propanone is primarily used as an organic synthesis intermediate with a thioether-substituted ketone functionality. In industry it serves as a building block for sulfur-containing compounds and as a precursor in the manufacture of specialty chemicals. It is commonly evaluated for fragrance and flavor applications as an intermediate in aroma compound synthesis. It also serves as a synthetic intermediate in pharmaceutical and agrochemical production, and may be used in coatings, inks, and polymer-related formulations as a reactive intermediate or processing aid, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1370.09
    methanol 1890.08
    isopropanol 884.63
    water 78.76
    ethyl acetate 654.23
    n-propanol 946.45
    acetone 1410.63
    n-butanol 721.29
    acetonitrile 1014.41
    DMF 1225.13
    toluene 377.22
    isobutanol 579.44
    1,4-dioxane 1302.95
    methyl acetate 677.55
    THF 1586.58
    2-butanone 792.13
    n-pentanol 450.22
    sec-butanol 676.7
    n-hexane 252.7
    ethylene glycol 631.04
    NMP 1399.69
    cyclohexane 438.46
    DMSO 1020.33
    n-butyl acetate 408.52
    n-octanol 376.65
    chloroform 1397.79
    n-propyl acetate 347.91
    acetic acid 1975.07
    dichloromethane 1063.14
    cyclohexanone 1220.95
    propylene glycol 537.53
    isopropyl acetate 337.22
    DMAc 891.21
    2-ethoxyethanol 690.42
    isopentanol 439.78
    n-heptane 206.24
    ethyl formate 417.69
    1,2-dichloroethane 601.39
    n-hexanol 630.88
    2-methoxyethanol 1226.6
    isobutyl acetate 202.7
    tetrachloromethane 339.71
    n-pentyl acetate 301.72
    transcutol 1994.27
    n-heptanol 260.5
    ethylbenzene 182.18
    MIBK 313.88
    2-propoxyethanol 868.19
    tert-butanol 840.02
    MTBE 532.32
    2-butoxyethanol 410.46
    propionic acid 870.86
    o-xylene 266.07
    formic acid 880.59
    diethyl ether 778.05
    m-xylene 268.69
    p-xylene 237.06
    chlorobenzene 399.94
    dimethyl carbonate 193.79
    n-octane 65.52
    formamide 744.94
    cyclopentanone 1190.78
    2-pentanone 613.69
    anisole 351.39
    cyclopentyl methyl ether 827.6
    gamma-butyrolactone 1171.49
    1-methoxy-2-propanol 843.3
    pyridine 784.77
    3-pentanone 506.07
    furfural 976.18
    n-dodecane 48.9
    diethylene glycol 748.78
    diisopropyl ether 209.49
    tert-amyl alcohol 628.6
    acetylacetone 668.26
    n-hexadecane 53.6
    acetophenone 329.82
    methyl propionate 515.05
    isopentyl acetate 307.58
    trichloroethylene 1065.63
    n-nonanol 311.17
    cyclohexanol 903.68
    benzyl alcohol 316.57
    2-ethylhexanol 334.73
    isooctanol 193.48
    dipropyl ether 420.04
    1,2-dichlorobenzene 341.26
    ethyl lactate 198.76
    propylene carbonate 553.4
    n-methylformamide 793.77
    2-pentanol 466.12
    n-pentane 252.23
    1-propoxy-2-propanol 604.39
    1-methoxy-2-propyl acetate 420.82
    2-(2-methoxypropoxy) propanol 436.62
    mesitylene 178.61
    ε-caprolactone 856.15
    p-cymene 148.25
    epichlorohydrin 864.97
    1,1,1-trichloroethane 694.69
    2-aminoethanol 779.7
    morpholine-4-carbaldehyde 1314.31
    sulfolane 1135.48
    2,2,4-trimethylpentane 78.55
    2-methyltetrahydrofuran 1168.9
    n-hexyl acetate 528.6
    isooctane 55.58
    2-(2-butoxyethoxy)ethanol 633.96
    sec-butyl acetate 213.53
    tert-butyl acetate 354.58
    decalin 122.18
    glycerin 681.1
    diglyme 911.76
    acrylic acid 813.56
    isopropyl myristate 197.17
    n-butyric acid 834.75
    acetyl acetate 417.52
    di(2-ethylhexyl) phthalate 181.19
    ethyl propionate 292.27
    nitromethane 1731.27
    1,2-diethoxyethane 534.7
    benzonitrile 427.58
    trioctyl phosphate 139.36
    1-bromopropane 462.34
    gamma-valerolactone 1384.68
    n-decanol 221.85
    triethyl phosphate 143.96
    4-methyl-2-pentanol 206.26
    propionitrile 580.91
    vinylene carbonate 529.38
    1,1,2-trichlorotrifluoroethane 792.21
    DMS 347.57
    cumene 134.36
    2-octanol 208.07
    2-hexanone 422.24
    octyl acetate 260.79
    limonene 281.94
    1,2-dimethoxyethane 870.25
    ethyl orthosilicate 149.17
    tributyl phosphate 167.72
    diacetone alcohol 460.91
    N,N-dimethylaniline 253.68
    acrylonitrile 639.11
    aniline 486.22
    1,3-propanediol 757.85
    bromobenzene 361.12
    dibromomethane 766.66
    1,1,2,2-tetrachloroethane 818.77
    2-methyl-cyclohexyl acetate 262.91
    tetrabutyl urea 240.14
    diisobutyl methanol 176.35
    2-phenylethanol 345.11
    styrene 218.65
    dioctyl adipate 274.94
    dimethyl sulfate 291.51
    ethyl butyrate 269.42
    methyl lactate 311.29
    butyl lactate 254.54
    diethyl carbonate 168.11
    propanediol butyl ether 482.91
    triethyl orthoformate 210.75
    p-tert-butyltoluene 149.21
    methyl 4-tert-butylbenzoate 317.2
    morpholine 1434.02
    tert-butylamine 564.15
    n-dodecanol 168.52
    dimethoxymethane 654.98
    ethylene carbonate 429.14
    cyrene 359.87
    2-ethoxyethyl acetate 400.47
    2-ethylhexyl acetate 251.36
    1,2,4-trichlorobenzene 424.26
    4-methylpyridine 718.77
    dibutyl ether 367.52
    2,6-dimethyl-4-heptanol 176.35
    DEF 634.44
    dimethyl isosorbide 614.88
    tetrachloroethylene 655.16
    eugenol 339.69
    triacetin 453.43
    span 80 464.46
    1,4-butanediol 332.82
    1,1-dichloroethane 742.54
    2-methyl-1-pentanol 327.95
    methyl formate 568.37
    2-methyl-1-butanol 479.86
    n-decane 88.61
    butyronitrile 517.45
    3,7-dimethyl-1-octanol 303.86
    1-chlorooctane 245.6
    1-chlorotetradecane 100.1
    n-nonane 97.75
    undecane 61.85
    tert-butylcyclohexane 103.48
    cyclooctane 128.81
    cyclopentanol 913.8
    tetrahydropyran 1333.34
    tert-amyl methyl ether 428.93
    2,5,8-trioxanonane 674.51
    1-hexene 427.93
    2-isopropoxyethanol 442.56
    2,2,2-trifluoroethanol 559.38
    methyl butyrate 377.0

    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