N-(1,1-Dimethyl-2-hydroxyethyl)-2,2-diethylbutanamide

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  • Identifiers

    CAS number
    51115-77-6

    Molecular formula
    C12H25NO2

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

  • Odor profile

    Fragrance
    Mint 52.17%
    Cooling 51.28%
    Woody 35.24%
    Odorless 27.8%
    Camphoreous 24.13%
    Herbal 23.78%
    Fresh 22.39%
    Grapefruit 21.6%
    Dry 21.47%
    Savory 18.24%

     

    Flavor
    Fruity 40.21%
    Green 31.06%
    Herbal 23.6%
    Berry 22.23%
    Mild 22.12%
    Yeasty 19.71%
    Light 19.71%
    Rose acetate 19.55%
    Grape skin 19.26%
    Carrot 19.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.95 (weak base)

    Molecular weight
    215.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    299°C

    Flash point

    • 138.89 ˚C est.

    Solubility expt.

    • Slightly soluble in water; soluble in hexanes
    • Soluble (in ethanol)

  • Synonyms

    • N-(1,1-Dimethyl-2-hydroxyethyl)-2,2-diethylbutanamide
    • 51115-77-6
    • FEMA 4603
    • Butanamide, 2,2-diethyl-N-(2-hydroxy-1,1-dimethylethyl)-
    • 2,2-DIETHYL-N-(2-HYDROXY-1,1-DIMETHYLETHYL)BUTANAMIDE
    • 2,2-Diethyl-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
    • SCHEMBL291139

  • Applications

    N-(1,1-Dimethyl-2-hydroxyethyl)-2,2-diethylbutanamide (CAS 51115-77-6) may be used as an intermediate in organic synthesis and as a specialty solvent or processing aid in industrial formulations, including polymer, coatings, and adhesives applications; it can function as a plasticizer or formulation component in polymer systems; in cosmetics and personal care, it may serve as a solvent or humectant for active ingredients; and it may be evaluated for fragrance-related or scent-carrier applications, subject to formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 334.66
    methanol 431.12
    isopropanol 348.68
    water 2.82
    ethyl acetate 170.39
    n-propanol 355.47
    acetone 261.12
    n-butanol 285.25
    acetonitrile 194.65
    DMF 467.77
    toluene 155.38
    isobutanol 285.0
    1,4-dioxane 485.74
    methyl acetate 207.1
    THF 672.71
    2-butanone 295.29
    n-pentanol 244.16
    sec-butanol 361.92
    n-hexane 39.01
    ethylene glycol 56.87
    NMP 682.6
    cyclohexane 84.02
    DMSO 403.5
    n-butyl acetate 234.01
    n-octanol 165.76
    chloroform 1079.32
    n-propyl acetate 175.48
    acetic acid 354.51
    dichloromethane 713.24
    cyclohexanone 623.59
    propylene glycol 148.62
    isopropyl acetate 133.92
    DMAc 436.08
    2-ethoxyethanol 234.69
    isopentanol 225.08
    n-heptane 24.37
    ethyl formate 214.3
    1,2-dichloroethane 354.71
    n-hexanol 250.03
    2-methoxyethanol 317.43
    isobutyl acetate 140.88
    tetrachloromethane 207.08
    n-pentyl acetate 187.7
    transcutol 349.75
    n-heptanol 174.09
    ethylbenzene 130.58
    MIBK 130.19
    2-propoxyethanol 246.2
    tert-butanol 362.07
    MTBE 231.98
    2-butoxyethanol 220.72
    propionic acid 311.58
    o-xylene 138.55
    formic acid 131.4
    diethyl ether 163.08
    m-xylene 110.28
    p-xylene 216.92
    chlorobenzene 286.23
    dimethyl carbonate 71.98
    n-octane 16.19
    formamide 157.08
    cyclopentanone 698.9
    2-pentanone 187.27
    anisole 175.65
    cyclopentyl methyl ether 260.52
    gamma-butyrolactone 758.03
    1-methoxy-2-propanol 236.95
    pyridine 490.94
    3-pentanone 156.59
    furfural 560.13
    n-dodecane 12.12
    diethylene glycol 165.42
    diisopropyl ether 63.06
    tert-amyl alcohol 353.2
    acetylacetone 197.44
    n-hexadecane 14.05
    acetophenone 223.33
    methyl propionate 156.02
    isopentyl acetate 231.43
    trichloroethylene 797.25
    n-nonanol 138.35
    cyclohexanol 356.65
    benzyl alcohol 219.47
    2-ethylhexanol 160.13
    isooctanol 150.25
    dipropyl ether 104.74
    1,2-dichlorobenzene 270.73
    ethyl lactate 113.53
    propylene carbonate 444.44
    n-methylformamide 258.86
    2-pentanol 188.43
    n-pentane 30.96
    1-propoxy-2-propanol 207.62
    1-methoxy-2-propyl acetate 187.04
    2-(2-methoxypropoxy) propanol 159.62
    mesitylene 77.33
    ε-caprolactone 528.11
    p-cymene 92.16
    epichlorohydrin 504.89
    1,1,1-trichloroethane 440.98
    2-aminoethanol 164.12
    morpholine-4-carbaldehyde 471.8
    sulfolane 822.76
    2,2,4-trimethylpentane 29.62
    2-methyltetrahydrofuran 520.25
    n-hexyl acetate 246.31
    isooctane 15.89
    2-(2-butoxyethoxy)ethanol 200.0
    sec-butyl acetate 121.04
    tert-butyl acetate 150.06
    decalin 44.16
    glycerin 154.11
    diglyme 321.2
    acrylic acid 259.99
    isopropyl myristate 88.04
    n-butyric acid 352.8
    acetyl acetate 131.34
    di(2-ethylhexyl) phthalate 115.73
    ethyl propionate 133.43
    nitromethane 377.31
    1,2-diethoxyethane 149.25
    benzonitrile 273.61
    trioctyl phosphate 90.74
    1-bromopropane 253.76
    gamma-valerolactone 692.69
    n-decanol 94.97
    triethyl phosphate 101.62
    4-methyl-2-pentanol 107.5
    propionitrile 224.87
    vinylene carbonate 394.17
    1,1,2-trichlorotrifluoroethane 443.9
    DMS 150.56
    cumene 96.36
    2-octanol 142.12
    2-hexanone 204.62
    octyl acetate 122.27
    limonene 132.17
    1,2-dimethoxyethane 330.81
    ethyl orthosilicate 99.0
    tributyl phosphate 95.53
    diacetone alcohol 186.91
    N,N-dimethylaniline 153.54
    acrylonitrile 247.47
    aniline 230.17
    1,3-propanediol 218.16
    bromobenzene 283.83
    dibromomethane 517.05
    1,1,2,2-tetrachloroethane 736.12
    2-methyl-cyclohexyl acetate 185.66
    tetrabutyl urea 119.3
    diisobutyl methanol 85.91
    2-phenylethanol 205.44
    styrene 148.12
    dioctyl adipate 132.64
    dimethyl sulfate 154.96
    ethyl butyrate 157.04
    methyl lactate 116.14
    butyl lactate 179.23
    diethyl carbonate 111.46
    propanediol butyl ether 223.84
    triethyl orthoformate 129.05
    p-tert-butyltoluene 89.44
    methyl 4-tert-butylbenzoate 210.57
    morpholine 536.55
    tert-butylamine 244.22
    n-dodecanol 68.62
    dimethoxymethane 164.94
    ethylene carbonate 311.76
    cyrene 243.74
    2-ethoxyethyl acetate 176.21
    2-ethylhexyl acetate 197.86
    1,2,4-trichlorobenzene 336.33
    4-methylpyridine 423.57
    dibutyl ether 109.85
    2,6-dimethyl-4-heptanol 85.91
    DEF 228.2
    dimethyl isosorbide 300.25
    tetrachloroethylene 506.07
    eugenol 194.31
    triacetin 193.53
    span 80 197.18
    1,4-butanediol 119.66
    1,1-dichloroethane 438.97
    2-methyl-1-pentanol 213.51
    methyl formate 206.37
    2-methyl-1-butanol 259.28
    n-decane 23.23
    butyronitrile 255.13
    3,7-dimethyl-1-octanol 130.43
    1-chlorooctane 104.8
    1-chlorotetradecane 35.23
    n-nonane 22.59
    undecane 16.05
    tert-butylcyclohexane 38.06
    cyclooctane 22.55
    cyclopentanol 437.08
    tetrahydropyran 529.32
    tert-amyl methyl ether 176.9
    2,5,8-trioxanonane 218.67
    1-hexene 124.68
    2-isopropoxyethanol 170.83
    2,2,2-trifluoroethanol 145.13
    methyl butyrate 210.31

    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