N-Ethyl-2,2-diisopropylbutanamide

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  • Identifiers

    CAS number
    51115-70-9

    Molecular formula
    C12H25NO

    SMILES
    CCC(C(C)C)(C(C)C)C(=O)NCC

  • Odor profile

    Fragrance
    Mint 66.17%
    Cooling 60.9%
    Herbal 28.31%
    Woody 27.34%
    Odorless 26.89%
    Camphoreous 25.33%
    Fresh 21.23%
    Cheesy 19.67%
    Savory 19.55%
    Grapefruit 18.87%

     

    Flavor
    Green 24.86%
    Mild 20.27%
    Yeasty 20.23%
    Cedarleaf 19.73%
    Green pepper 19.52%
    Fruity 19.44%
    Carrot 19.22%
    Acrid 19.2%
    Bland 19.04%
    Syrup 19.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.7 (weak base)

    Molecular weight
    199.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    279°C

    Flash point

    • 109.87 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • n-ethyl-2,2-diisopropylbutanamide
    • 51115-70-9
    • N,2-Diethyl-2-(isopropyl)-3-methylbutyramide
    • EINECS 256-978-6
    • UNII-K94244JM5H
    • N,2-diethyl-3-methyl-2-propan-2-ylbutanamide
    • K94244JM5H
    • FEMA NO. 4557
    • DTXSID20199127
    • BUTANAMIDE, N-ETHYL-2,2-BIS(1-METHYLETHYL)-
    • BUTANAMIDE, N,2-DIETHYL-3-METHYL-2-(1-METHYLETHYL)-
    • SCHEMBL291784
    • DTXCID50121618
    • PCOMMNVANAQDMV-UHFFFAOYSA-N
    • DB-320567
    • NS00022265
    • Q27282113
    • N,2-diethyl-3-methyl-2-propan-2-ylbutanamideN,2-Diethyl-3-methyl-2-(1-methylethyl)butanamide

  • Applications

    Applications of N-Ethyl-2,2-diisopropylbutanamide (CAS 51115-70-9) include its use as a specialty intermediate in organic synthesis, providing a building block for further transformations. It may be employed as a solvent or processing aid in industrial manufacturing, particularly during formulation and purification steps. It can serve as a precursor for niche polymers and materials, and as an additive in coatings or inks to modulate solvency and processing characteristics. It is sometimes evaluated as a niche plasticizer or stabilizer in specialty plastics formulations. In research and development settings, it may be used as a reagent or intermediate in multi-step routes for electronics-related materials or pharmaceutical development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1432.05
    methanol 1882.41
    isopropanol 1371.17
    water 5.45
    ethyl acetate 1061.93
    n-propanol 1410.5
    acetone 1418.57
    n-butanol 1207.48
    acetonitrile 1724.85
    DMF 1448.06
    toluene 1184.13
    isobutanol 1116.42
    1,4-dioxane 2652.74
    methyl acetate 1169.05
    THF 3841.07
    2-butanone 1264.54
    n-pentanol 816.01
    sec-butanol 1263.35
    n-hexane 480.03
    ethylene glycol 180.97
    NMP 2088.29
    cyclohexane 1162.92
    DMSO 857.16
    n-butyl acetate 1113.71
    n-octanol 599.68
    chloroform 5044.34
    n-propyl acetate 721.75
    acetic acid 1250.9
    dichloromethane 3936.47
    cyclohexanone 3018.4
    propylene glycol 323.91
    isopropyl acetate 666.39
    DMAc 961.22
    2-ethoxyethanol 611.01
    isopentanol 870.18
    n-heptane 309.63
    ethyl formate 898.34
    1,2-dichloroethane 2036.42
    n-hexanol 1131.02
    2-methoxyethanol 1016.0
    isobutyl acetate 517.93
    tetrachloromethane 1350.81
    n-pentyl acetate 754.41
    transcutol 781.65
    n-heptanol 558.14
    ethylbenzene 524.9
    MIBK 566.03
    2-propoxyethanol 1029.05
    tert-butanol 1248.69
    MTBE 1129.12
    2-butoxyethanol 563.88
    propionic acid 1102.59
    o-xylene 635.86
    formic acid 380.8
    diethyl ether 1424.96
    m-xylene 643.03
    p-xylene 787.87
    chlorobenzene 1674.75
    dimethyl carbonate 327.7
    n-octane 135.53
    formamide 469.77
    cyclopentanone 2848.95
    2-pentanone 1029.35
    anisole 616.7
    cyclopentyl methyl ether 1662.4
    gamma-butyrolactone 3100.22
    1-methoxy-2-propanol 761.66
    pyridine 2605.58
    3-pentanone 853.01
    furfural 1762.31
    n-dodecane 89.24
    diethylene glycol 494.44
    diisopropyl ether 423.19
    tert-amyl alcohol 1064.84
    acetylacetone 818.77
    n-hexadecane 104.85
    acetophenone 571.27
    methyl propionate 816.02
    isopentyl acetate 943.89
    trichloroethylene 3658.51
    n-nonanol 490.39
    cyclohexanol 1693.52
    benzyl alcohol 593.81
    2-ethylhexanol 651.44
    isooctanol 464.13
    dipropyl ether 696.88
    1,2-dichlorobenzene 1204.47
    ethyl lactate 263.64
    propylene carbonate 1486.46
    n-methylformamide 1068.78
    2-pentanol 849.06
    n-pentane 423.64
    1-propoxy-2-propanol 734.85
    1-methoxy-2-propyl acetate 689.99
    2-(2-methoxypropoxy) propanol 320.92
    mesitylene 426.88
    ε-caprolactone 2088.77
    p-cymene 397.12
    epichlorohydrin 2399.2
    1,1,1-trichloroethane 2528.34
    2-aminoethanol 481.96
    morpholine-4-carbaldehyde 1333.11
    sulfolane 2385.43
    2,2,4-trimethylpentane 179.61
    2-methyltetrahydrofuran 2987.42
    n-hexyl acetate 983.54
    isooctane 121.01
    2-(2-butoxyethoxy)ethanol 442.75
    sec-butyl acetate 447.39
    tert-butyl acetate 648.94
    decalin 268.36
    glycerin 291.26
    diglyme 824.36
    acrylic acid 875.97
    isopropyl myristate 342.36
    n-butyric acid 1367.71
    acetyl acetate 642.75
    di(2-ethylhexyl) phthalate 294.28
    ethyl propionate 575.31
    nitromethane 1579.04
    1,2-diethoxyethane 640.4
    benzonitrile 1185.48
    trioctyl phosphate 269.58
    1-bromopropane 1543.86
    gamma-valerolactone 2617.72
    n-decanol 330.34
    triethyl phosphate 290.12
    4-methyl-2-pentanol 409.41
    propionitrile 1476.41
    vinylene carbonate 1418.58
    1,1,2-trichlorotrifluoroethane 1093.07
    DMS 551.1
    cumene 343.12
    2-octanol 497.98
    2-hexanone 759.92
    octyl acetate 440.99
    limonene 613.19
    1,2-dimethoxyethane 1142.35
    ethyl orthosilicate 304.25
    tributyl phosphate 297.58
    diacetone alcohol 549.12
    N,N-dimethylaniline 420.57
    acrylonitrile 1597.42
    aniline 1024.57
    1,3-propanediol 656.22
    bromobenzene 1765.67
    dibromomethane 2763.79
    1,1,2,2-tetrachloroethane 2678.01
    2-methyl-cyclohexyl acetate 541.8
    tetrabutyl urea 358.43
    diisobutyl methanol 329.08
    2-phenylethanol 707.83
    styrene 639.02
    dioctyl adipate 376.89
    dimethyl sulfate 446.66
    ethyl butyrate 648.42
    methyl lactate 298.16
    butyl lactate 477.11
    diethyl carbonate 421.63
    propanediol butyl ether 474.94
    triethyl orthoformate 487.0
    p-tert-butyltoluene 390.11
    methyl 4-tert-butylbenzoate 538.19
    morpholine 2747.67
    tert-butylamine 924.41
    n-dodecanol 234.81
    dimethoxymethane 920.32
    ethylene carbonate 1229.12
    cyrene 422.36
    2-ethoxyethyl acetate 663.4
    2-ethylhexyl acetate 822.57
    1,2,4-trichlorobenzene 1312.27
    4-methylpyridine 2334.24
    dibutyl ether 547.15
    2,6-dimethyl-4-heptanol 329.08
    DEF 941.45
    dimethyl isosorbide 723.87
    tetrachloroethylene 2151.12
    eugenol 446.64
    triacetin 534.24
    span 80 437.44
    1,4-butanediol 310.48
    1,1-dichloroethane 2485.87
    2-methyl-1-pentanol 669.85
    methyl formate 861.36
    2-methyl-1-butanol 966.33
    n-decane 169.38
    butyronitrile 1556.94
    3,7-dimethyl-1-octanol 459.31
    1-chlorooctane 499.52
    1-chlorotetradecane 177.65
    n-nonane 182.02
    undecane 119.59
    tert-butylcyclohexane 227.18
    cyclooctane 301.67
    cyclopentanol 1873.57
    tetrahydropyran 3354.4
    tert-amyl methyl ether 777.42
    2,5,8-trioxanonane 472.8
    1-hexene 927.32
    2-isopropoxyethanol 453.17
    2,2,2-trifluoroethanol 444.92
    methyl butyrate 781.18

    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