4-(Methylsulfanyl)butanamide

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  • Identifiers

    CAS number
    88411-81-8

    Molecular formula
    C5H11NOS

    SMILES
    CSCCCC(=O)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 65.39%
    Meaty 65.21%
    Fatty 46.68%
    Savory 43.75%
    Roasted 42.33%
    Sulfurous 42.29%
    Cheesy 39.38%
    Cooked 36.53%
    Vegetable 32.68%
    Cabbage 32.36%

     

    Flavor
    Sulfurous 51.46%
    Sulfury 44.78%
    Onion 42.66%
    Garlic 35.3%
    Roasted 33.08%
    Cooked 31.96%
    Cabbage 30.91%
    Tomato 30.23%
    Vegetable 29.65%
    Meaty 28.16%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    5.97 (weak acid)

    Molecular weight
    133.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    303°C

    Flash point

    • 119.87 ˚C est.

  • Synonyms

    • 4-(Methylsulfanyl)butanamide
    • 88411-81-8
    • 4-methylsulfanylbutanamide
    • DTXSID50323195
    • NSC403325
    • SCHEMBL170631
    • DTXCID90274314
    • NDA41181
    • AKOS016558199
    • NSC-403325
    • EN300-4389571
    • 845-748-6

  • Applications

    4-(Methylsulfanyl)butanamide (CAS 88411-81-8) is primarily used as an organic synthesis intermediate that introduces sulfur functionality into amide-bearing frameworks. In practice, it is employed as a building block in pharmaceutical research for the preparation of sulfur-containing amide derivatives; as a starting material in agrochemical development to access sulfur-containing candidates; as a general organic synthesis precursor for thioether- and amide-containing compounds; as a precursor in polymer and materials chemistry to access sulfur-functionalized monomers or linkers; and in coatings and inks where it can serve as a reactive intermediate for downstream functionalization. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 115.29
    methanol 197.31
    isopropanol 57.99
    water 20.79
    ethyl acetate 24.06
    n-propanol 64.23
    acetone 106.35
    n-butanol 56.21
    acetonitrile 40.63
    DMF 196.54
    toluene 4.81
    isobutanol 38.55
    1,4-dioxane 121.58
    methyl acetate 27.84
    THF 202.2
    2-butanone 41.61
    n-pentanol 38.1
    sec-butanol 33.63
    n-hexane 1.54
    ethylene glycol 68.14
    NMP 226.34
    cyclohexane 3.83
    DMSO 309.61
    n-butyl acetate 35.41
    n-octanol 23.7
    chloroform 17.48
    n-propyl acetate 26.15
    acetic acid 204.29
    dichloromethane 22.36
    cyclohexanone 128.64
    propylene glycol 67.97
    isopropyl acetate 20.21
    DMAc 120.0
    2-ethoxyethanol 77.14
    isopentanol 38.07
    n-heptane 2.71
    ethyl formate 36.98
    1,2-dichloroethane 14.46
    n-hexanol 44.15
    2-methoxyethanol 147.07
    isobutyl acetate 19.9
    tetrachloromethane 4.05
    n-pentyl acetate 26.92
    transcutol 215.16
    n-heptanol 24.64
    ethylbenzene 3.96
    MIBK 22.5
    2-propoxyethanol 92.13
    tert-butanol 51.7
    MTBE 14.07
    2-butoxyethanol 60.18
    propionic acid 80.8
    o-xylene 6.52
    formic acid 113.21
    diethyl ether 13.02
    m-xylene 6.12
    p-xylene 7.49
    chlorobenzene 13.03
    dimethyl carbonate 13.29
    n-octane 1.17
    formamide 104.77
    cyclopentanone 186.49
    2-pentanone 35.63
    anisole 18.73
    cyclopentyl methyl ether 44.14
    gamma-butyrolactone 177.87
    1-methoxy-2-propanol 91.29
    pyridine 52.06
    3-pentanone 20.52
    furfural 153.83
    n-dodecane 1.22
    diethylene glycol 101.12
    diisopropyl ether 4.82
    tert-amyl alcohol 31.77
    acetylacetone 62.33
    n-hexadecane 1.34
    acetophenone 31.65
    methyl propionate 23.73
    isopentyl acetate 32.47
    trichloroethylene 31.75
    n-nonanol 21.66
    cyclohexanol 50.52
    benzyl alcohol 31.99
    2-ethylhexanol 22.87
    isooctanol 18.56
    dipropyl ether 17.34
    1,2-dichlorobenzene 14.6
    ethyl lactate 24.29
    propylene carbonate 81.97
    n-methylformamide 92.28
    2-pentanol 23.1
    n-pentane 1.41
    1-propoxy-2-propanol 60.27
    1-methoxy-2-propyl acetate 44.13
    2-(2-methoxypropoxy) propanol 59.81
    mesitylene 5.46
    ε-caprolactone 93.36
    p-cymene 7.86
    epichlorohydrin 84.68
    1,1,1-trichloroethane 11.05
    2-aminoethanol 91.86
    morpholine-4-carbaldehyde 193.28
    sulfolane 230.03
    2,2,4-trimethylpentane 1.05
    2-methyltetrahydrofuran 83.7
    n-hexyl acetate 35.75
    isooctane 0.93
    2-(2-butoxyethoxy)ethanol 87.98
    sec-butyl acetate 15.5
    tert-butyl acetate 26.48
    decalin 2.01
    glycerin 115.1
    diglyme 134.43
    acrylic acid 86.04
    isopropyl myristate 15.37
    n-butyric acid 89.49
    acetyl acetate 27.25
    di(2-ethylhexyl) phthalate 28.27
    ethyl propionate 17.42
    nitromethane 171.83
    1,2-diethoxyethane 39.81
    benzonitrile 34.14
    trioctyl phosphate 20.08
    1-bromopropane 6.03
    gamma-valerolactone 216.76
    n-decanol 16.5
    triethyl phosphate 18.69
    4-methyl-2-pentanol 14.06
    propionitrile 25.89
    vinylene carbonate 71.27
    1,1,2-trichlorotrifluoroethane 94.26
    DMS 27.82
    cumene 5.01
    2-octanol 14.57
    2-hexanone 30.52
    octyl acetate 22.4
    limonene 11.84
    1,2-dimethoxyethane 93.42
    ethyl orthosilicate 17.84
    tributyl phosphate 22.82
    diacetone alcohol 53.22
    N,N-dimethylaniline 17.61
    acrylonitrile 38.78
    aniline 22.18
    1,3-propanediol 102.42
    bromobenzene 8.66
    dibromomethane 11.73
    1,1,2,2-tetrachloroethane 26.14
    2-methyl-cyclohexyl acetate 31.71
    tetrabutyl urea 33.93
    diisobutyl methanol 13.13
    2-phenylethanol 34.78
    styrene 4.91
    dioctyl adipate 31.14
    dimethyl sulfate 32.95
    ethyl butyrate 27.38
    methyl lactate 36.7
    butyl lactate 39.01
    diethyl carbonate 19.75
    propanediol butyl ether 74.42
    triethyl orthoformate 24.57
    p-tert-butyltoluene 7.57
    methyl 4-tert-butylbenzoate 43.65
    morpholine 130.3
    tert-butylamine 20.7
    n-dodecanol 12.66
    dimethoxymethane 52.34
    ethylene carbonate 59.06
    cyrene 76.53
    2-ethoxyethyl acetate 40.08
    2-ethylhexyl acetate 23.87
    1,2,4-trichlorobenzene 21.64
    4-methylpyridine 38.84
    dibutyl ether 15.87
    2,6-dimethyl-4-heptanol 13.13
    DEF 51.24
    dimethyl isosorbide 101.77
    tetrachloroethylene 20.79
    eugenol 52.47
    triacetin 51.39
    span 80 68.98
    1,4-butanediol 46.24
    1,1-dichloroethane 9.66
    2-methyl-1-pentanol 28.45
    methyl formate 60.7
    2-methyl-1-butanol 32.65
    n-decane 1.74
    butyronitrile 32.06
    3,7-dimethyl-1-octanol 20.24
    1-chlorooctane 6.58
    1-chlorotetradecane 3.52
    n-nonane 1.56
    undecane 1.4
    tert-butylcyclohexane 1.79
    cyclooctane 1.29
    cyclopentanol 81.43
    tetrahydropyran 67.34
    tert-amyl methyl ether 12.27
    2,5,8-trioxanonane 112.38
    1-hexene 5.08
    2-isopropoxyethanol 47.49
    2,2,2-trifluoroethanol 59.26
    methyl butyrate 30.32

    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