Methyl diisopropyl propionamide

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  • Identifiers

    CAS number
    51115-67-4

    Molecular formula
    C10H21NO

    SMILES
    CC(C)C(C)(C(C)C)C(=O)NC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Mint 63.37%
    Cooling 56.0%
    Herbal 32.36%
    Camphoreous 30.24%
    Woody 29.95%
    Odorless 27.26%
    Fresh 22.11%
    Dry 20.35%
    Pine 20.19%
    Cheesy 18.91%

     

    Flavor
    Green 34.31%
    Fruity 23.91%
    Yeasty 20.14%
    Green pepper 20.0%
    Carrot 19.91%
    Cedarleaf 19.65%
    Herbal 19.46%
    Acrid 19.16%
    Grape skin 19.06%
    Syrup 19.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.96 (weak base)

    Molecular weight
    171.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 56 - 64 °C

    Boiling point

    • 233.00 to 234.00 °C. @ 760.00 mm Hg

    Flash point

    • 99.89 ˚C est.

    Solubility expt.

    • Insoluble in water and fats; Soluble in diethyl ether, and hydrocarbons
    • Soluble (in ethanol)

  • Synonyms

    • 51115-67-4
    • 2-Isopropyl-N,2,3-trimethylbutanamide
    • 2-Isopropyl-N,2,3-trimethylbutyramide
    • N,2,3-Trimethyl-2-isopropylbutamide
    • Methyl diisopropyl propionamide
    • N,2,3-trimethyl-2-propan-2-ylbutanamide
    • WS-23
    • Trimethyl isopropyl butanamide
    • N,2,3-Trimethyl-2-(1-methylethyl)butanamide
    • N,2,3-Trimethyl-2-isopropylbutanamide
    • Butanamide, N,2,3-trimethyl-2-(1-methylethyl)-
    • 6QOP5A9489
    • WS 23
    • N,2,3-trimethyl-2-(propan-2-yl)butanamide
    • EINECS 256-974-4
    • MFCD00130070
    • FEMA NO. 3804
    • DTXSID40199124
    • TRIMETHYL ISOPROPYL BUTANAMIDE [MI]
    • 2-ISOPROPYL-N,2,3-TRIMETHYLBUTYRAMIDE [FHFI]
    • UNII-6QOP5A9489
    • SCHEMBL33307
    • GTPL2474
    • WS23
    • FEMA 3804
    • DTXCID70121615
    • CHEBI:169004
    • RWAXQWRDVUOOGG-UHFFFAOYSA-N
    • BCA11567
    • LMFA08020189
    • AKOS015901339
    • DS-18051
    • SY052557
    • CS-0154976
    • I0729
    • NS00020207
    • METHYL DIISOPROPYL PROPIONAMIDE [INCI]
    • D81995
    • n,2,3-trimethyl-2-(1-methylethyl)-butanamide
    • n,2,3-trimethyl-2-isopropylbutamide, AldrichCPR
    • N,2,3-Trimethyl-2-(1-methylethyl)butanamide, 9CI
    • Q27089231
    • F0001-2471
    • 256-974-4

  • Applications

    Applications of methyl diisopropyl propionamide include use as a polar aprotic solvent and reaction medium in organic synthesis and polymer processing; it is employed as a solvent in coatings, inks, and adhesives to dissolve resins and aid formulation; it serves as an intermediate in chemical synthesis; it is used as a processing solvent in electronics manufacturing and in industrial cleaning formulations; and it may be considered a specialty solvent for processing or formulation, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 820.97
    methanol 1272.47
    isopropanol 816.45
    water 21.82
    ethyl acetate 654.38
    n-propanol 901.97
    acetone 862.43
    n-butanol 664.04
    acetonitrile 997.26
    DMF 999.7
    toluene 503.69
    isobutanol 719.31
    1,4-dioxane 1607.16
    methyl acetate 810.31
    THF 1975.23
    2-butanone 846.72
    n-pentanol 428.23
    sec-butanol 825.28
    n-hexane 191.36
    ethylene glycol 197.11
    NMP 1390.68
    cyclohexane 354.38
    DMSO 722.42
    n-butyl acetate 564.28
    n-octanol 348.03
    chloroform 2579.83
    n-propyl acetate 422.02
    acetic acid 824.07
    dichloromethane 1859.8
    cyclohexanone 1490.84
    propylene glycol 282.5
    isopropyl acetate 429.2
    DMAc 715.51
    2-ethoxyethanol 493.55
    isopentanol 483.16
    n-heptane 108.36
    ethyl formate 525.47
    1,2-dichloroethane 1154.06
    n-hexanol 556.69
    2-methoxyethanol 808.16
    isobutyl acetate 299.79
    tetrachloromethane 913.65
    n-pentyl acetate 449.33
    transcutol 664.23
    n-heptanol 340.43
    ethylbenzene 306.18
    MIBK 377.5
    2-propoxyethanol 684.89
    tert-butanol 884.82
    MTBE 806.19
    2-butoxyethanol 450.4
    propionic acid 770.17
    o-xylene 375.25
    formic acid 353.33
    diethyl ether 792.7
    m-xylene 359.05
    p-xylene 430.58
    chlorobenzene 741.52
    dimethyl carbonate 213.24
    n-octane 65.45
    formamide 424.11
    cyclopentanone 1668.61
    2-pentanone 611.62
    anisole 417.05
    cyclopentyl methyl ether 953.17
    gamma-butyrolactone 1821.24
    1-methoxy-2-propanol 579.41
    pyridine 1048.04
    3-pentanone 560.55
    furfural 1139.63
    n-dodecane 39.65
    diethylene glycol 422.0
    diisopropyl ether 287.19
    tert-amyl alcohol 758.19
    acetylacetone 532.44
    n-hexadecane 46.34
    acetophenone 401.71
    methyl propionate 532.9
    isopentyl acetate 503.5
    trichloroethylene 2009.74
    n-nonanol 289.12
    cyclohexanol 887.28
    benzyl alcohol 361.58
    2-ethylhexanol 339.54
    isooctanol 272.72
    dipropyl ether 354.65
    1,2-dichlorobenzene 665.66
    ethyl lactate 201.37
    propylene carbonate 839.87
    n-methylformamide 760.31
    2-pentanol 502.97
    n-pentane 183.25
    1-propoxy-2-propanol 481.9
    1-methoxy-2-propyl acetate 427.84
    2-(2-methoxypropoxy) propanol 251.11
    mesitylene 258.61
    ε-caprolactone 1156.97
    p-cymene 223.9
    epichlorohydrin 1521.23
    1,1,1-trichloroethane 1584.6
    2-aminoethanol 403.86
    morpholine-4-carbaldehyde 1027.67
    sulfolane 1718.15
    2,2,4-trimethylpentane 109.28
    2-methyltetrahydrofuran 1530.57
    n-hexyl acetate 591.32
    isooctane 70.83
    2-(2-butoxyethoxy)ethanol 348.7
    sec-butyl acetate 296.14
    tert-butyl acetate 495.6
    decalin 136.36
    glycerin 317.94
    diglyme 657.8
    acrylic acid 612.21
    isopropyl myristate 195.73
    n-butyric acid 774.79
    acetyl acetate 405.34
    di(2-ethylhexyl) phthalate 174.8
    ethyl propionate 356.89
    nitromethane 1157.25
    1,2-diethoxyethane 390.52
    benzonitrile 588.26
    trioctyl phosphate 157.72
    1-bromopropane 792.5
    gamma-valerolactone 1572.44
    n-decanol 198.7
    triethyl phosphate 180.88
    4-methyl-2-pentanol 263.95
    propionitrile 861.13
    vinylene carbonate 772.49
    1,1,2-trichlorotrifluoroethane 880.25
    DMS 370.88
    cumene 229.31
    2-octanol 290.18
    2-hexanone 438.44
    octyl acetate 257.98
    limonene 323.14
    1,2-dimethoxyethane 743.81
    ethyl orthosilicate 187.93
    tributyl phosphate 175.51
    diacetone alcohol 442.39
    N,N-dimethylaniline 303.53
    acrylonitrile 921.0
    aniline 551.8
    1,3-propanediol 537.35
    bromobenzene 738.7
    dibromomethane 1356.23
    1,1,2,2-tetrachloroethane 1720.71
    2-methyl-cyclohexyl acetate 324.34
    tetrabutyl urea 207.47
    diisobutyl methanol 199.64
    2-phenylethanol 405.85
    styrene 337.84
    dioctyl adipate 216.1
    dimethyl sulfate 392.61
    ethyl butyrate 348.97
    methyl lactate 252.97
    butyl lactate 306.19
    diethyl carbonate 224.61
    propanediol butyl ether 349.6
    triethyl orthoformate 274.66
    p-tert-butyltoluene 227.01
    methyl 4-tert-butylbenzoate 372.23
    morpholine 1552.89
    tert-butylamine 633.33
    n-dodecanol 140.44
    dimethoxymethane 569.87
    ethylene carbonate 678.44
    cyrene 309.37
    2-ethoxyethyl acetate 437.07
    2-ethylhexyl acetate 427.72
    1,2,4-trichlorobenzene 770.94
    4-methylpyridine 1032.8
    dibutyl ether 298.98
    2,6-dimethyl-4-heptanol 199.64
    DEF 612.04
    dimethyl isosorbide 508.41
    tetrachloroethylene 1359.78
    eugenol 314.61
    triacetin 335.62
    span 80 281.55
    1,4-butanediol 240.73
    1,1-dichloroethane 1369.89
    2-methyl-1-pentanol 355.83
    methyl formate 611.36
    2-methyl-1-butanol 572.23
    n-decane 79.54
    butyronitrile 776.85
    3,7-dimethyl-1-octanol 281.93
    1-chlorooctane 281.34
    1-chlorotetradecane 94.86
    n-nonane 82.26
    undecane 54.27
    tert-butylcyclohexane 133.31
    cyclooctane 116.49
    cyclopentanol 1030.78
    tetrahydropyran 1525.92
    tert-amyl methyl ether 568.31
    2,5,8-trioxanonane 365.32
    1-hexene 397.87
    2-isopropoxyethanol 359.33
    2,2,2-trifluoroethanol 423.29
    methyl butyrate 458.96

    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