Isobutyramide

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  • Identifiers

    CAS number
    563-83-7

    Molecular formula
    C4H9NO

    SMILES
    CC(C)C(=O)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Cheesy 52.64%
    Odorless 29.06%
    Fishy 26.98%
    Pungent 24.63%
    Roasted 22.63%
    Fruity 21.71%
    Ripe 20.85%
    Savory 20.77%
    Sour 20.39%
    Meaty 20.18%

     

    Flavor
    Cheese 38.29%
    Pungent 29.04%
    Acidic 24.8%
    Sour 24.73%
    Cheesy 23.04%
    Odorless 22.33%
    Sulfurous 22.16%
    Roquefort cheese 21.67%
    Onion 21.57%
    Soy 21.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.2

    pKa est.
    7.35 (neutral)

    Molecular weight
    87.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    232°C

    Flash point

    • 68.85 ˚C est.

  • Synonyms

    • Isobutyramide
    • 563-83-7
    • 2-Methylpropanamide
    • 2-Methylpropionamide
    • Propanamide, 2-methyl-
    • Isobutylamide
    • Isobutyrimidic acid
    • 82UOE7B38Z
    • NSC-8423
    • DTXSID1060340
    • RefChem:149119
    • DTXCID8042054
    • 209-265-9
    • Isopropylformamide
    • MFCD00008019
    • dimethylacetoamide
    • NSC 8423
    • EINECS 209-265-9
    • BRN 1737615
    • UNII-82UOE7B38Z
    • C-isopropylformamide
    • 2-methyl-propanamide
    • isobutyric acid amide
    • Isobutyramide, 99%
    • propane, 2-carbamoyl-
    • 1-carbamoyl-1-methylethyl
    • SCHEMBL3323
    • SCHEMBL23067
    • 4-02-00-00852 (Beilstein Handbook Reference)
    • SCHEMBL308271
    • SCHEMBL476942
    • CHEMBL352219
    • orb3023607
    • SCHEMBL7231580
    • SCHEMBL7600513
    • SCHEMBL8909659
    • SCHEMBL28841410
    • SCHEMBL29286683
    • NSC8423
    • CHEBI:193555
    • BDBM50224866
    • EBC-50073
    • AKOS001084432
    • CS-W019979
    • NCI60_041854
    • SY015332
    • DB-052904
    • DB-072139
    • I0102
    • NS00033514
    • EN300-17833
    • F091536
    • BRD-K54057105-001-01-2
    • Q10859786
    • Z57046209
    • InChI=1/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6
    • IBO
    • 563-83-7

  • Applications

    Isobutyramide (CAS 563-83-7) is used primarily as an intermediate in the synthesis of pharmaceutical and agrochemical compounds, and as a building block for amide coupling reactions and other acylation steps in organic synthesis. It can also serve as a precursor for specialized polymers and as a processing solvent or reagent in chemical manufacturing. Additionally, it is encountered as a starting material for the preparation of functionalized amide derivatives in research and industrial synthesis, subject to formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 168.94
    methanol 322.57
    isopropanol 96.62
    water 270.13
    ethyl acetate 20.05
    n-propanol 107.45
    acetone 41.11
    n-butanol 89.93
    acetonitrile 49.52
    DMF 91.31
    toluene 4.33
    isobutanol 84.38
    1,4-dioxane 34.75
    methyl acetate 39.32
    THF 71.15
    2-butanone 44.16
    n-pentanol 55.67
    sec-butanol 89.01
    n-hexane 3.48
    ethylene glycol 92.87
    NMP 115.93
    cyclohexane 1.61
    DMSO 68.29
    n-butyl acetate 13.81
    n-octanol 23.23
    chloroform 40.79
    n-propyl acetate 13.28
    acetic acid 201.11
    dichloromethane 27.97
    cyclohexanone 42.47
    propylene glycol 113.77
    isopropyl acetate 13.12
    DMAc 112.59
    2-ethoxyethanol 69.33
    isopentanol 64.96
    n-heptane 2.09
    ethyl formate 34.28
    1,2-dichloroethane 14.72
    n-hexanol 39.1
    2-methoxyethanol 136.42
    isobutyl acetate 9.59
    tetrachloromethane 14.02
    n-pentyl acetate 20.44
    transcutol 86.22
    n-heptanol 35.16
    ethylbenzene 3.74
    MIBK 16.13
    2-propoxyethanol 60.4
    tert-butanol 80.16
    MTBE 27.56
    2-butoxyethanol 66.66
    propionic acid 112.09
    o-xylene 6.23
    formic acid 253.65
    diethyl ether 15.01
    m-xylene 4.71
    p-xylene 7.02
    chlorobenzene 8.88
    dimethyl carbonate 10.66
    n-octane 1.31
    formamide 194.49
    cyclopentanone 75.42
    2-pentanone 23.94
    anisole 11.09
    cyclopentyl methyl ether 22.6
    gamma-butyrolactone 83.31
    1-methoxy-2-propanol 82.74
    pyridine 29.61
    3-pentanone 17.74
    furfural 73.25
    n-dodecane 0.9
    diethylene glycol 61.18
    diisopropyl ether 5.12
    tert-amyl alcohol 83.16
    acetylacetone 19.87
    n-hexadecane 0.91
    acetophenone 15.52
    methyl propionate 23.62
    isopentyl acetate 15.01
    trichloroethylene 31.67
    n-nonanol 19.52
    cyclohexanol 37.04
    benzyl alcohol 23.18
    2-ethylhexanol 18.9
    isooctanol 26.17
    dipropyl ether 7.91
    1,2-dichlorobenzene 9.4
    ethyl lactate 16.29
    propylene carbonate 43.53
    n-methylformamide 107.29
    2-pentanol 43.87
    n-pentane 3.17
    1-propoxy-2-propanol 38.28
    1-methoxy-2-propyl acetate 15.78
    2-(2-methoxypropoxy) propanol 35.5
    mesitylene 3.4
    ε-caprolactone 42.24
    p-cymene 4.49
    epichlorohydrin 51.98
    1,1,1-trichloroethane 16.43
    2-aminoethanol 154.63
    morpholine-4-carbaldehyde 74.48
    sulfolane 85.79
    2,2,4-trimethylpentane 3.17
    2-methyltetrahydrofuran 51.51
    n-hexyl acetate 24.22
    isooctane 1.65
    2-(2-butoxyethoxy)ethanol 48.54
    sec-butyl acetate 8.78
    tert-butyl acetate 14.48
    decalin 1.63
    glycerin 138.71
    diglyme 62.01
    acrylic acid 108.46
    isopropyl myristate 7.12
    n-butyric acid 90.55
    acetyl acetate 14.31
    di(2-ethylhexyl) phthalate 15.82
    ethyl propionate 10.11
    nitromethane 122.19
    1,2-diethoxyethane 16.11
    benzonitrile 18.11
    trioctyl phosphate 10.89
    1-bromopropane 10.17
    gamma-valerolactone 81.93
    n-decanol 12.73
    triethyl phosphate 8.28
    4-methyl-2-pentanol 24.13
    propionitrile 34.4
    vinylene carbonate 37.21
    1,1,2-trichlorotrifluoroethane 71.96
    DMS 14.06
    cumene 4.43
    2-octanol 20.49
    2-hexanone 18.65
    octyl acetate 12.11
    limonene 6.12
    1,2-dimethoxyethane 47.96
    ethyl orthosilicate 8.35
    tributyl phosphate 11.1
    diacetone alcohol 37.39
    N,N-dimethylaniline 11.3
    acrylonitrile 44.13
    aniline 20.85
    1,3-propanediol 134.62
    bromobenzene 5.53
    dibromomethane 18.09
    1,1,2,2-tetrachloroethane 28.54
    2-methyl-cyclohexyl acetate 12.88
    tetrabutyl urea 14.0
    diisobutyl methanol 9.05
    2-phenylethanol 20.99
    styrene 3.92
    dioctyl adipate 11.76
    dimethyl sulfate 20.91
    ethyl butyrate 9.64
    methyl lactate 33.55
    butyl lactate 26.91
    diethyl carbonate 6.89
    propanediol butyl ether 62.41
    triethyl orthoformate 8.96
    p-tert-butyltoluene 4.49
    methyl 4-tert-butylbenzoate 25.68
    morpholine 56.56
    tert-butylamine 41.54
    n-dodecanol 8.25
    dimethoxymethane 28.93
    ethylene carbonate 26.97
    cyrene 39.19
    2-ethoxyethyl acetate 24.79
    2-ethylhexyl acetate 11.25
    1,2,4-trichlorobenzene 12.56
    4-methylpyridine 27.15
    dibutyl ether 9.14
    2,6-dimethyl-4-heptanol 9.05
    DEF 32.03
    dimethyl isosorbide 39.3
    tetrachloroethylene 26.88
    eugenol 30.77
    triacetin 22.24
    span 80 39.1
    1,4-butanediol 65.27
    1,1-dichloroethane 18.11
    2-methyl-1-pentanol 50.05
    methyl formate 59.35
    2-methyl-1-butanol 73.41
    n-decane 1.55
    butyronitrile 34.97
    3,7-dimethyl-1-octanol 17.32
    1-chlorooctane 5.65
    1-chlorotetradecane 2.15
    n-nonane 1.52
    undecane 1.12
    tert-butylcyclohexane 2.26
    cyclooctane 0.81
    cyclopentanol 67.64
    tetrahydropyran 25.72
    tert-amyl methyl ether 24.32
    2,5,8-trioxanonane 42.86
    1-hexene 8.87
    2-isopropoxyethanol 44.03
    2,2,2-trifluoroethanol 99.43
    methyl butyrate 17.97

    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