N-Isobutylacetamide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1540-94-9

    Molecular formula
    C6H13NO

    SMILES
    CC(C)CNC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Cheesy 42.92%
    Mint 35.24%
    Fishy 32.44%
    Cooling 31.42%
    Meaty 29.75%
    Savory 26.63%
    Ripe 25.31%
    Grapefruit 25.09%
    Odorless 22.66%
    Roasted 21.54%

     

    Flavor
    Cheese 36.07%
    Fruity 28.11%
    Sweaty 26.1%
    Cheesy 25.74%
    Sour 25.06%
    Acidic 23.08%
    Sulfury 22.92%
    Animal 22.31%
    Fishy 21.68%
    Acrid 20.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    8.72 (weak base)

    Molecular weight
    115.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    234°C

    Flash point

    • 71.06 ˚C est.

  • Synonyms

    • N-Isobutylacetamide
    • 1540-94-9
    • N-(2-Methyl-2-propyl)ethanamide
    • 03RBP530AC
    • NSC-156655
    • DTXSID90165516
    • RefChem:1091847
    • DTXCID9088007
    • N-(2-Methylpropyl)acetamide
    • N-Acetyl-2-methyl-1-propaneamine
    • Acetamide, N-isobutyl-
    • Acetamide, N-(2-methylpropyl)-
    • N-Isobutyl-Acetamide
    • UNII-03RBP530AC
    • Acetylisobutylamine
    • NSC156655
    • SCHEMBL91326
    • SCHEMBL294912
    • SCHEMBL295249
    • SCHEMBL459003
    • N-(2-Methylpropyl)-Acetamide
    • N-(2-Methyl-propyl)ethanamide
    • SCHEMBL1525220
    • SCHEMBL4319991
    • CHEMBL5555498
    • propane, 1-acetamido-2-methyl-
    • CHEBI:179639
    • VDQMVRFHUYAKJL-UHFFFAOYSA-N
    • N-(2-Methylpropyl)acetamide, 9CI
    • AKOS003855864
    • NSC 156655
    • Q27247578
    • 1540-94-9

  • Applications

    N-Isobutylacetamide (CAS 1540-94-9) is used primarily as an organic-synthesis intermediate and as a specialty solvent in formulation processing. It provides a building block for the preparation of N-substituted amides and related intermediates, with potential applications in pharmaceutical and agrochemical research. In industry, it also acts as a solvent or processing aid in coatings, inks, and adhesive formulations, and as a solvent or reaction medium in polymer and plastics manufacturing. Additionally, it may be evaluated as a solvent or processing aid in fragrance formulation research, where it can support extraction, dissolution, or formulation studies. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 128.89
    methanol 233.1
    isopropanol 129.8
    water 17.24
    ethyl acetate 31.4
    n-propanol 122.4
    acetone 67.83
    n-butanol 105.49
    acetonitrile 34.62
    DMF 158.65
    toluene 12.5
    isobutanol 99.79
    1,4-dioxane 58.02
    methyl acetate 46.5
    THF 110.1
    2-butanone 66.18
    n-pentanol 68.58
    sec-butanol 118.67
    n-hexane 9.55
    ethylene glycol 99.66
    NMP 147.0
    cyclohexane 4.78
    DMSO 102.12
    n-butyl acetate 40.18
    n-octanol 58.84
    chloroform 113.51
    n-propyl acetate 22.04
    acetic acid 102.94
    dichloromethane 63.15
    cyclohexanone 77.41
    propylene glycol 180.56
    isopropyl acetate 27.28
    DMAc 189.07
    2-ethoxyethanol 78.06
    isopentanol 85.85
    n-heptane 6.92
    ethyl formate 34.84
    1,2-dichloroethane 32.1
    n-hexanol 104.61
    2-methoxyethanol 155.2
    isobutyl acetate 23.13
    tetrachloromethane 23.23
    n-pentyl acetate 34.34
    transcutol 144.33
    n-heptanol 57.5
    ethylbenzene 14.71
    MIBK 35.44
    2-propoxyethanol 135.28
    tert-butanol 139.28
    MTBE 65.89
    2-butoxyethanol 90.04
    propionic acid 103.02
    o-xylene 17.44
    formic acid 64.89
    diethyl ether 29.3
    m-xylene 15.94
    p-xylene 22.01
    chlorobenzene 24.55
    dimethyl carbonate 16.92
    n-octane 4.08
    formamide 33.66
    cyclopentanone 106.06
    2-pentanone 42.61
    anisole 33.44
    cyclopentyl methyl ether 46.22
    gamma-butyrolactone 94.51
    1-methoxy-2-propanol 138.07
    pyridine 47.15
    3-pentanone 32.68
    furfural 104.43
    n-dodecane 4.23
    diethylene glycol 124.75
    diisopropyl ether 12.53
    tert-amyl alcohol 124.75
    acetylacetone 43.54
    n-hexadecane 4.45
    acetophenone 40.26
    methyl propionate 37.91
    isopentyl acetate 45.9
    trichloroethylene 79.66
    n-nonanol 48.66
    cyclohexanol 66.32
    benzyl alcohol 46.83
    2-ethylhexanol 53.82
    isooctanol 44.88
    dipropyl ether 25.58
    1,2-dichlorobenzene 29.18
    ethyl lactate 39.78
    propylene carbonate 63.77
    n-methylformamide 67.08
    2-pentanol 67.35
    n-pentane 6.88
    1-propoxy-2-propanol 103.36
    1-methoxy-2-propyl acetate 50.23
    2-(2-methoxypropoxy) propanol 90.03
    mesitylene 12.18
    ε-caprolactone 69.42
    p-cymene 18.85
    epichlorohydrin 72.7
    1,1,1-trichloroethane 45.8
    2-aminoethanol 147.16
    morpholine-4-carbaldehyde 121.99
    sulfolane 139.25
    2,2,4-trimethylpentane 7.87
    2-methyltetrahydrofuran 80.87
    n-hexyl acetate 58.72
    isooctane 5.31
    2-(2-butoxyethoxy)ethanol 92.45
    sec-butyl acetate 20.95
    tert-butyl acetate 34.94
    decalin 6.39
    glycerin 196.12
    diglyme 111.88
    acrylic acid 96.88
    isopropyl myristate 25.27
    n-butyric acid 95.32
    acetyl acetate 25.02
    di(2-ethylhexyl) phthalate 41.49
    ethyl propionate 22.87
    nitromethane 69.06
    1,2-diethoxyethane 33.97
    benzonitrile 42.75
    trioctyl phosphate 30.62
    1-bromopropane 28.54
    gamma-valerolactone 119.93
    n-decanol 37.0
    triethyl phosphate 24.88
    4-methyl-2-pentanol 45.19
    propionitrile 46.18
    vinylene carbonate 58.33
    1,1,2-trichlorotrifluoroethane 124.15
    DMS 40.19
    cumene 16.65
    2-octanol 41.22
    2-hexanone 36.32
    octyl acetate 35.85
    limonene 24.13
    1,2-dimethoxyethane 83.07
    ethyl orthosilicate 24.06
    tributyl phosphate 31.11
    diacetone alcohol 74.31
    N,N-dimethylaniline 33.98
    acrylonitrile 54.24
    aniline 34.31
    1,3-propanediol 124.7
    bromobenzene 19.91
    dibromomethane 43.33
    1,1,2,2-tetrachloroethane 85.35
    2-methyl-cyclohexyl acetate 40.48
    tetrabutyl urea 42.53
    diisobutyl methanol 31.19
    2-phenylethanol 56.94
    styrene 15.33
    dioctyl adipate 38.62
    dimethyl sulfate 39.92
    ethyl butyrate 26.51
    methyl lactate 63.26
    butyl lactate 54.71
    diethyl carbonate 21.01
    propanediol butyl ether 126.55
    triethyl orthoformate 26.07
    p-tert-butyltoluene 19.14
    methyl 4-tert-butylbenzoate 60.16
    morpholine 82.44
    tert-butylamine 79.93
    n-dodecanol 28.83
    dimethoxymethane 49.51
    ethylene carbonate 40.32
    cyrene 79.08
    2-ethoxyethyl acetate 39.72
    2-ethylhexyl acetate 35.88
    1,2,4-trichlorobenzene 44.69
    4-methylpyridine 53.38
    dibutyl ether 26.1
    2,6-dimethyl-4-heptanol 31.19
    DEF 56.18
    dimethyl isosorbide 96.38
    tetrachloroethylene 53.82
    eugenol 71.83
    triacetin 58.15
    span 80 92.31
    1,4-butanediol 66.53
    1,1-dichloroethane 49.6
    2-methyl-1-pentanol 65.05
    methyl formate 47.12
    2-methyl-1-butanol 89.47
    n-decane 6.45
    butyronitrile 45.23
    3,7-dimethyl-1-octanol 55.21
    1-chlorooctane 22.96
    1-chlorotetradecane 10.79
    n-nonane 6.31
    undecane 5.06
    tert-butylcyclohexane 9.02
    cyclooctane 2.44
    cyclopentanol 95.74
    tetrahydropyran 52.93
    tert-amyl methyl ether 54.65
    2,5,8-trioxanonane 93.33
    1-hexene 26.92
    2-isopropoxyethanol 61.69
    2,2,2-trifluoroethanol 44.87
    methyl butyrate 32.57

    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