N-(2-methylsulfanylethyl)acetamide

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  • Identifiers

    CAS number
    57302-28-0

    Molecular formula
    C5H11NOS

    SMILES
    CC(=O)NCCSC

    Safety labels

  • Odor profile

    Fragrance
    Meaty 70.13%
    Sulfurous 50.64%
    Sweet 48.04%
    Roasted 47.87%
    Savory 45.39%
    Cooked 38.66%
    Cheesy 38.18%
    Onion 35.65%
    Fatty 34.04%
    Nutty 32.8%

     

    Flavor
    Sulfurous 54.14%
    Sulfury 49.18%
    Onion 46.13%
    Roasted 35.76%
    Garlic 34.48%
    Cooked 34.18%
    Meaty 33.75%
    Cabbage 32.35%
    Tomato 29.49%
    Vegetable 28.9%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    6.95 (neutral)

    Molecular weight
    133.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    299°C

    Flash point

    • 111.34 ˚C est.

  • Synonyms

    • N-(2-methylsulfanylethyl)acetamide
    • 57302-28-0
    • DTXSID90367179
    • RefChem:360951
    • DTXCID40318217
    • MLS000532674
    • N-[2-(methylthio)ethyl]acetamide
    • SMR000140112
    • HMS1577O18
    • 2-methyl thioethyl acetamide
    • SCHEMBL423953
    • SCHEMBL423954
    • SCHEMBL4739477
    • CHEMBL1608327
    • BDBM43000
    • cid_2245987
    • methyl 2-acetylaminoethyl sulfide
    • N-(2-methylsulfanylethyl)ethanamide
    • N-[2-(methylsulfanyl)ethyl]acetamide
    • AKOS006222528
    • SDCCGMLS-0064661.P001
    • 57302-28-0

  • Applications

    N-(2-methylsulfanylethyl)acetamide (CAS 57302-28-0) is primarily used as an organic-synthesis intermediate and a building block for sulfur-containing amide derivatives. In pharmaceutical and agrochemical research, it is considered a key starting material for the synthesis of sulfur-containing amide derivatives and related analogues to support product development. In polymer and materials science, it can serve as a functionalized building block for sulfur-containing monomers or as a linkage within modified polymer chains. In coatings, paints, and specialty formulations, it can be used to introduce sulfur functionality into formulations to adjust adhesion and chemical resistance. Additionally, it represents a versatile intermediate for further synthetic transformations in R&D, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 432.92
    methanol 785.44
    isopropanol 216.33
    water 62.51
    ethyl acetate 69.9
    n-propanol 221.72
    acetone 265.89
    n-butanol 173.3
    acetonitrile 187.14
    DMF 469.89
    toluene 25.57
    isobutanol 124.02
    1,4-dioxane 329.85
    methyl acetate 94.13
    THF 486.04
    2-butanone 116.49
    n-pentanol 104.68
    sec-butanol 126.92
    n-hexane 7.07
    ethylene glycol 191.62
    NMP 464.91
    cyclohexane 25.02
    DMSO 505.38
    n-butyl acetate 60.79
    n-octanol 64.09
    chloroform 190.39
    n-propyl acetate 51.04
    acetic acid 607.43
    dichloromethane 171.65
    cyclohexanone 295.21
    propylene glycol 198.83
    isopropyl acetate 38.92
    DMAc 279.04
    2-ethoxyethanol 163.64
    isopentanol 98.07
    n-heptane 9.64
    ethyl formate 104.63
    1,2-dichloroethane 76.82
    n-hexanol 98.09
    2-methoxyethanol 380.35
    isobutyl acetate 33.89
    tetrachloromethane 27.37
    n-pentyl acetate 53.64
    transcutol 445.56
    n-heptanol 53.63
    ethylbenzene 14.87
    MIBK 37.72
    2-propoxyethanol 169.19
    tert-butanol 156.69
    MTBE 42.18
    2-butoxyethanol 110.23
    propionic acid 233.34
    o-xylene 24.31
    formic acid 342.44
    diethyl ether 56.22
    m-xylene 20.4
    p-xylene 27.45
    chlorobenzene 57.98
    dimethyl carbonate 26.9
    n-octane 3.75
    formamide 314.61
    cyclopentanone 364.69
    2-pentanone 81.16
    anisole 50.89
    cyclopentyl methyl ether 117.56
    gamma-butyrolactone 347.62
    1-methoxy-2-propanol 211.51
    pyridine 213.93
    3-pentanone 55.03
    furfural 334.73
    n-dodecane 3.72
    diethylene glycol 185.67
    diisopropyl ether 11.2
    tert-amyl alcohol 96.43
    acetylacetone 95.05
    n-hexadecane 4.17
    acetophenone 65.94
    methyl propionate 63.73
    isopentyl acetate 48.64
    trichloroethylene 165.18
    n-nonanol 53.8
    cyclohexanol 173.28
    benzyl alcohol 80.14
    2-ethylhexanol 49.89
    isooctanol 37.75
    dipropyl ether 41.71
    1,2-dichlorobenzene 52.21
    ethyl lactate 43.94
    propylene carbonate 145.39
    n-methylformamide 279.4
    2-pentanol 73.35
    n-pentane 7.97
    1-propoxy-2-propanol 107.33
    1-methoxy-2-propyl acetate 63.75
    2-(2-methoxypropoxy) propanol 103.72
    mesitylene 13.1
    ε-caprolactone 201.82
    p-cymene 16.95
    epichlorohydrin 218.87
    1,1,1-trichloroethane 61.05
    2-aminoethanol 275.35
    morpholine-4-carbaldehyde 378.43
    sulfolane 372.31
    2,2,4-trimethylpentane 3.58
    2-methyltetrahydrofuran 231.27
    n-hexyl acetate 78.11
    isooctane 2.18
    2-(2-butoxyethoxy)ethanol 157.5
    sec-butyl acetate 27.89
    tert-butyl acetate 38.78
    decalin 6.96
    glycerin 276.65
    diglyme 248.14
    acrylic acid 240.65
    isopropyl myristate 29.32
    n-butyric acid 231.31
    acetyl acetate 55.75
    di(2-ethylhexyl) phthalate 45.85
    ethyl propionate 37.42
    nitromethane 468.15
    1,2-diethoxyethane 81.71
    benzonitrile 106.76
    trioctyl phosphate 32.91
    1-bromopropane 38.08
    gamma-valerolactone 424.5
    n-decanol 37.87
    triethyl phosphate 29.61
    4-methyl-2-pentanol 31.47
    propionitrile 111.65
    vinylene carbonate 145.38
    1,1,2-trichlorotrifluoroethane 220.88
    DMS 51.89
    cumene 13.68
    2-octanol 35.76
    2-hexanone 61.52
    octyl acetate 41.91
    limonene 29.35
    1,2-dimethoxyethane 210.1
    ethyl orthosilicate 28.96
    tributyl phosphate 37.57
    diacetone alcohol 78.99
    N,N-dimethylaniline 42.69
    acrylonitrile 151.01
    aniline 87.63
    1,3-propanediol 268.76
    bromobenzene 41.1
    dibromomethane 93.01
    1,1,2,2-tetrachloroethane 140.0
    2-methyl-cyclohexyl acetate 50.15
    tetrabutyl urea 58.95
    diisobutyl methanol 23.15
    2-phenylethanol 72.04
    styrene 20.91
    dioctyl adipate 56.17
    dimethyl sulfate 55.07
    ethyl butyrate 45.61
    methyl lactate 70.61
    butyl lactate 66.44
    diethyl carbonate 33.4
    propanediol butyl ether 141.79
    triethyl orthoformate 41.29
    p-tert-butyltoluene 16.11
    methyl 4-tert-butylbenzoate 71.51
    morpholine 384.52
    tert-butylamine 78.3
    n-dodecanol 28.87
    dimethoxymethane 122.81
    ethylene carbonate 115.2
    cyrene 116.0
    2-ethoxyethyl acetate 70.02
    2-ethylhexyl acetate 39.27
    1,2,4-trichlorobenzene 67.92
    4-methylpyridine 147.37
    dibutyl ether 45.37
    2,6-dimethyl-4-heptanol 23.15
    DEF 124.34
    dimethyl isosorbide 150.87
    tetrachloroethylene 104.46
    eugenol 87.46
    triacetin 90.63
    span 80 121.98
    1,4-butanediol 106.7
    1,1-dichloroethane 70.11
    2-methyl-1-pentanol 67.98
    methyl formate 166.69
    2-methyl-1-butanol 98.1
    n-decane 5.84
    butyronitrile 121.29
    3,7-dimethyl-1-octanol 44.55
    1-chlorooctane 22.42
    1-chlorotetradecane 9.9
    n-nonane 5.53
    undecane 4.41
    tert-butylcyclohexane 5.52
    cyclooctane 5.4
    cyclopentanol 241.36
    tetrahydropyran 241.0
    tert-amyl methyl ether 34.2
    2,5,8-trioxanonane 197.42
    1-hexene 25.06
    2-isopropoxyethanol 87.74
    2,2,2-trifluoroethanol 163.27
    methyl butyrate 63.67

    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