Methylthiomethyl Acetate

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  • Identifiers

    CAS number
    16437-69-7

    Molecular formula
    C4H8O2S

    SMILES
    CC(=O)OCSC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 78.23%
    Fruity 67.49%
    Vegetable 53.77%
    Sweet 52.72%
    Tropical 51.62%
    Onion 51.28%
    Cheesy 48.94%
    Meaty 47.2%
    Green 45.91%
    Cabbage 45.31%

     

    Flavor
    Fruity 52.74%
    Sweet 43.79%
    Vegetable 42.54%
    Fatty 41.5%
    Ethereal 38.12%
    Green 36.96%
    Potato 35.98%
    Sulfurous 35.2%
    Nutty 34.33%
    Earthy 33.13%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.57 (neutral)

    Molecular weight
    120.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    157°C

    Flash point

    • 47.26 ˚C est.

  • Synonyms

    • Methylthiomethyl Acetate
    • RefChem:818719
    • 672-764-9
    • 16437-69-7
    • Acetic Acid Methylthiomethyl Ester
    • Methylsulfanylmethyl Acetate
    • (methylsulfanyl)methyl acetate
    • Methanol, 1-(methylthio)-, 1-acetate
    • MFCD00075528
    • Methanol, (methylthio)-, acetate
    • (Methylthio)methyl acetate
    • SCHEMBL2951968
    • SCHEMBL10537791
    • DTXSID50936941
    • LCUMNXCSNFGGGH-UHFFFAOYSA-N
    • AKOS025396853
    • BS-43907
    • SY054958
    • DB-229752
    • A1368
    • CS-0316444
    • D88428
    • 16437-69-7

  • Applications

    Methylthiomethyl acetate is used primarily as a chemical intermediate in fragrance chemistry, serving as a sulfur-containing building block for aroma compounds and functioning as an odorant in perfumery. It may also act as a solvent or processing aid in household products and cleaners, and can be employed in cosmetics and personal care formulations as a fragrance ingredient or precursor. In broader industrial manufacturing, it serves as an intermediate for further transformations and can provide feedstock for sulfur-containing polymers/plastics; it also has potential use in coatings and inks as a reactive ester. Its applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 655.03
    methanol 1134.42
    isopropanol 505.52
    water 114.85
    ethyl acetate 241.93
    n-propanol 457.18
    acetone 654.9
    n-butanol 355.7
    acetonitrile 519.18
    DMF 1189.67
    toluene 114.07
    isobutanol 318.82
    1,4-dioxane 501.02
    methyl acetate 357.69
    THF 494.3
    2-butanone 404.62
    n-pentanol 247.32
    sec-butanol 392.07
    n-hexane 46.64
    ethylene glycol 443.67
    NMP 776.62
    cyclohexane 40.62
    DMSO 876.2
    n-butyl acetate 117.17
    n-octanol 162.4
    chloroform 619.13
    n-propyl acetate 145.82
    acetic acid 588.01
    dichloromethane 594.12
    cyclohexanone 428.2
    propylene glycol 405.01
    isopropyl acetate 139.63
    DMAc 922.42
    2-ethoxyethanol 487.95
    isopentanol 251.83
    n-heptane 28.92
    ethyl formate 280.55
    1,2-dichloroethane 344.49
    n-hexanol 208.09
    2-methoxyethanol 951.19
    isobutyl acetate 101.34
    tetrachloromethane 110.28
    n-pentyl acetate 119.67
    transcutol 703.35
    n-heptanol 116.54
    ethylbenzene 78.82
    MIBK 164.47
    2-propoxyethanol 423.02
    tert-butanol 465.03
    MTBE 271.52
    2-butoxyethanol 239.07
    propionic acid 388.09
    o-xylene 111.3
    formic acid 410.6
    diethyl ether 248.13
    m-xylene 100.65
    p-xylene 108.09
    chlorobenzene 166.27
    dimethyl carbonate 130.51
    n-octane 16.04
    formamide 397.42
    cyclopentanone 513.18
    2-pentanone 279.25
    anisole 198.0
    cyclopentyl methyl ether 241.17
    gamma-butyrolactone 514.67
    1-methoxy-2-propanol 616.53
    pyridine 342.12
    3-pentanone 224.7
    furfural 592.39
    n-dodecane 16.76
    diethylene glycol 467.42
    diisopropyl ether 67.98
    tert-amyl alcohol 365.04
    acetylacetone 313.77
    n-hexadecane 18.23
    acetophenone 216.09
    methyl propionate 252.11
    isopentyl acetate 114.0
    trichloroethylene 575.53
    n-nonanol 130.42
    cyclohexanol 283.6
    benzyl alcohol 219.71
    2-ethylhexanol 111.13
    isooctanol 95.54
    dipropyl ether 103.89
    1,2-dichlorobenzene 185.23
    ethyl lactate 139.67
    propylene carbonate 250.63
    n-methylformamide 591.43
    2-pentanol 225.75
    n-pentane 44.98
    1-propoxy-2-propanol 251.72
    1-methoxy-2-propyl acetate 154.33
    2-(2-methoxypropoxy) propanol 235.66
    mesitylene 69.66
    ε-caprolactone 325.17
    p-cymene 54.4
    epichlorohydrin 466.74
    1,1,1-trichloroethane 281.79
    2-aminoethanol 517.93
    morpholine-4-carbaldehyde 784.06
    sulfolane 643.17
    2,2,4-trimethylpentane 26.83
    2-methyltetrahydrofuran 359.77
    n-hexyl acetate 189.53
    isooctane 16.66
    2-(2-butoxyethoxy)ethanol 293.64
    sec-butyl acetate 97.2
    tert-butyl acetate 150.47
    decalin 29.45
    glycerin 591.0
    diglyme 491.21
    acrylic acid 394.26
    isopropyl myristate 78.2
    n-butyric acid 319.91
    acetyl acetate 165.01
    di(2-ethylhexyl) phthalate 92.7
    ethyl propionate 144.53
    nitromethane 800.45
    1,2-diethoxyethane 186.17
    benzonitrile 254.06
    trioctyl phosphate 73.72
    1-bromopropane 210.01
    gamma-valerolactone 656.41
    n-decanol 95.8
    triethyl phosphate 79.27
    4-methyl-2-pentanol 118.08
    propionitrile 327.13
    vinylene carbonate 267.19
    1,1,2-trichlorotrifluoroethane 507.7
    DMS 162.35
    cumene 65.18
    2-octanol 98.8
    2-hexanone 190.09
    octyl acetate 102.52
    limonene 77.57
    1,2-dimethoxyethane 623.08
    ethyl orthosilicate 78.37
    tributyl phosphate 81.63
    diacetone alcohol 248.18
    N,N-dimethylaniline 176.4
    acrylonitrile 428.91
    aniline 206.87
    1,3-propanediol 495.13
    bromobenzene 149.54
    dibromomethane 383.01
    1,1,2,2-tetrachloroethane 504.38
    2-methyl-cyclohexyl acetate 104.52
    tetrabutyl urea 120.38
    diisobutyl methanol 72.39
    2-phenylethanol 159.65
    styrene 99.53
    dioctyl adipate 119.55
    dimethyl sulfate 263.29
    ethyl butyrate 103.15
    methyl lactate 228.39
    butyl lactate 132.72
    diethyl carbonate 79.73
    propanediol butyl ether 310.3
    triethyl orthoformate 87.2
    p-tert-butyltoluene 55.11
    methyl 4-tert-butylbenzoate 184.44
    morpholine 553.75
    tert-butylamine 269.49
    n-dodecanol 73.16
    dimethoxymethane 446.79
    ethylene carbonate 204.05
    cyrene 233.83
    2-ethoxyethyl acetate 161.22
    2-ethylhexyl acetate 88.82
    1,2,4-trichlorobenzene 220.3
    4-methylpyridine 362.7
    dibutyl ether 116.11
    2,6-dimethyl-4-heptanol 72.39
    DEF 396.23
    dimethyl isosorbide 266.27
    tetrachloroethylene 352.07
    eugenol 207.19
    triacetin 208.11
    span 80 205.98
    1,4-butanediol 258.36
    1,1-dichloroethane 365.03
    2-methyl-1-pentanol 197.37
    methyl formate 444.02
    2-methyl-1-butanol 271.09
    n-decane 26.69
    butyronitrile 311.25
    3,7-dimethyl-1-octanol 131.96
    1-chlorooctane 87.26
    1-chlorotetradecane 39.32
    n-nonane 26.75
    undecane 20.4
    tert-butylcyclohexane 31.75
    cyclooctane 17.75
    cyclopentanol 346.58
    tetrahydropyran 337.08
    tert-amyl methyl ether 216.11
    2,5,8-trioxanonane 354.16
    1-hexene 124.32
    2-isopropoxyethanol 292.91
    2,2,2-trifluoroethanol 246.64
    methyl butyrate 199.9

    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