2,6-Diethylacetanilide

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  • Identifiers

    CAS number
    16665-89-7

    Molecular formula
    C12H17NO

    SMILES
    CCC1=C(C(=CC=C1)CC)NC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 33.06%
    Herbal 32.6%
    Animal 29.54%
    Spicy 28.98%
    Floral 28.63%
    Grape 26.14%
    Roasted 25.3%
    Citrus 25.03%
    Mint 24.82%
    Grapefruit 24.53%

     

    Flavor
    Herbal 32.81%
    Fruity 31.21%
    Woody 30.71%
    Floral 29.78%
    Mild 27.71%
    Spicy 27.41%
    Earthy 25.38%
    Musty 24.98%
    Meaty 23.19%
    Phenolic 21.4%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.88 (neutral)

    Molecular weight
    191.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    262°C

    Melting point expt.

    • 141 - 142 °C

    Flash point

    • 141.87 ˚C est.

  • Synonyms

    • N-(2,6-Diethylphenyl)acetamide
    • 16665-89-7
    • 2,6-Diethylacetanilide
    • Acetanilide, 2',6'-diethyl-
    • DTXSID90168148
    • RefChem:1060248
    • DTXCID4090639
    • Acetamide, N-(2,6-diethylphenyl)-
    • N-Acetyl-2,6-diethylaniline
    • CCRIS 7257
    • 2',6'-Diethylacetanilide
    • Maybridge3_004511
    • 2',6'-Diethyl-Acetanilide
    • SCHEMBL4338453
    • SCHEMBL4338457
    • 2,6-DIETHYL-ACETANILIDE
    • CHEBI:169671
    • HMS1443N01
    • N-(2,6-Diethylphenyl)-Acetamide
    • MFCD00831166
    • AKOS002940840
    • IDI1_015898
    • SY357259
    • 16665-89-7

  • Applications

    2,6-Diethylacetanilide is used primarily as a fragrance ingredient or fragrance fixative in the fragrance and cosmetics industries; it can serve as a fragrance component in personal care and household products; it is employed as an organic synthesis intermediate for industrial compounds; it acts as an intermediate in the synthesis of specialty chemicals for polymers and plastics; and it may be explored as a precursor for color systems and additives for plastics and paints. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 261.84
    methanol 313.05
    isopropanol 192.81
    water 0.27
    ethyl acetate 159.02
    n-propanol 223.83
    acetone 392.61
    n-butanol 188.65
    acetonitrile 180.35
    DMF 899.22
    toluene 147.13
    isobutanol 161.17
    1,4-dioxane 437.77
    methyl acetate 209.64
    THF 693.97
    2-butanone 287.03
    n-pentanol 148.44
    sec-butanol 175.95
    n-hexane 20.97
    ethylene glycol 68.06
    NMP 646.94
    cyclohexane 42.06
    DMSO 646.41
    n-butyl acetate 179.3
    n-octanol 102.34
    chloroform 955.81
    n-propyl acetate 124.21
    acetic acid 159.01
    dichloromethane 924.04
    cyclohexanone 477.54
    propylene glycol 104.3
    isopropyl acetate 101.86
    DMAc 553.48
    2-ethoxyethanol 147.56
    isopentanol 131.99
    n-heptane 17.77
    ethyl formate 184.79
    1,2-dichloroethane 459.72
    n-hexanol 184.36
    2-methoxyethanol 275.54
    isobutyl acetate 100.53
    tetrachloromethane 101.15
    n-pentyl acetate 125.11
    transcutol 197.56
    n-heptanol 94.58
    ethylbenzene 100.16
    MIBK 127.48
    2-propoxyethanol 229.31
    tert-butanol 180.87
    MTBE 156.04
    2-butoxyethanol 128.16
    propionic acid 180.25
    o-xylene 107.4
    formic acid 42.99
    diethyl ether 158.67
    m-xylene 109.1
    p-xylene 125.38
    chlorobenzene 236.62
    dimethyl carbonate 107.02
    n-octane 13.85
    formamide 73.15
    cyclopentanone 613.62
    2-pentanone 211.28
    anisole 167.03
    cyclopentyl methyl ether 228.6
    gamma-butyrolactone 565.85
    1-methoxy-2-propanol 207.61
    pyridine 383.83
    3-pentanone 176.04
    furfural 440.25
    n-dodecane 15.64
    diethylene glycol 164.91
    diisopropyl ether 45.11
    tert-amyl alcohol 162.08
    acetylacetone 215.67
    n-hexadecane 18.01
    acetophenone 165.78
    methyl propionate 184.36
    isopentyl acetate 152.13
    trichloroethylene 808.94
    n-nonanol 90.49
    cyclohexanol 184.59
    benzyl alcohol 152.88
    2-ethylhexanol 107.35
    isooctanol 77.67
    dipropyl ether 106.96
    1,2-dichlorobenzene 207.41
    ethyl lactate 84.24
    propylene carbonate 311.69
    n-methylformamide 285.89
    2-pentanol 104.16
    n-pentane 18.6
    1-propoxy-2-propanol 157.9
    1-methoxy-2-propyl acetate 157.04
    2-(2-methoxypropoxy) propanol 127.45
    mesitylene 68.22
    ε-caprolactone 319.75
    p-cymene 68.75
    epichlorohydrin 565.54
    1,1,1-trichloroethane 331.05
    2-aminoethanol 122.84
    morpholine-4-carbaldehyde 455.7
    sulfolane 675.41
    2,2,4-trimethylpentane 13.52
    2-methyltetrahydrofuran 371.71
    n-hexyl acetate 182.14
    isooctane 9.69
    2-(2-butoxyethoxy)ethanol 141.94
    sec-butyl acetate 85.1
    tert-butyl acetate 116.41
    decalin 27.34
    glycerin 110.76
    diglyme 229.38
    acrylic acid 156.18
    isopropyl myristate 79.66
    n-butyric acid 204.35
    acetyl acetate 120.05
    di(2-ethylhexyl) phthalate 94.62
    ethyl propionate 113.05
    nitromethane 285.16
    1,2-diethoxyethane 133.23
    benzonitrile 201.61
    trioctyl phosphate 72.82
    1-bromopropane 258.7
    gamma-valerolactone 585.06
    n-decanol 74.48
    triethyl phosphate 81.05
    4-methyl-2-pentanol 63.01
    propionitrile 182.32
    vinylene carbonate 287.01
    1,1,2-trichlorotrifluoroethane 283.69
    DMS 158.05
    cumene 73.33
    2-octanol 80.09
    2-hexanone 151.62
    octyl acetate 108.97
    limonene 100.86
    1,2-dimethoxyethane 314.38
    ethyl orthosilicate 71.89
    tributyl phosphate 73.81
    diacetone alcohol 140.62
    N,N-dimethylaniline 132.91
    acrylonitrile 235.18
    aniline 156.94
    1,3-propanediol 153.04
    bromobenzene 262.94
    dibromomethane 587.07
    1,1,2,2-tetrachloroethane 603.86
    2-methyl-cyclohexyl acetate 132.46
    tetrabutyl urea 110.37
    diisobutyl methanol 58.11
    2-phenylethanol 160.99
    styrene 120.13
    dioctyl adipate 116.3
    dimethyl sulfate 191.1
    ethyl butyrate 122.19
    methyl lactate 106.11
    butyl lactate 99.95
    diethyl carbonate 97.4
    propanediol butyl ether 122.09
    triethyl orthoformate 87.51
    p-tert-butyltoluene 62.53
    methyl 4-tert-butylbenzoate 163.27
    morpholine 439.22
    tert-butylamine 108.28
    n-dodecanol 63.05
    dimethoxymethane 337.93
    ethylene carbonate 230.98
    cyrene 165.88
    2-ethoxyethyl acetate 143.11
    2-ethylhexyl acetate 123.97
    1,2,4-trichlorobenzene 230.3
    4-methylpyridine 362.08
    dibutyl ether 104.5
    2,6-dimethyl-4-heptanol 58.11
    DEF 250.41
    dimethyl isosorbide 232.78
    tetrachloroethylene 343.03
    eugenol 151.31
    triacetin 143.84
    span 80 134.62
    1,4-butanediol 85.53
    1,1-dichloroethane 414.94
    2-methyl-1-pentanol 124.68
    methyl formate 238.88
    2-methyl-1-butanol 147.85
    n-decane 22.91
    butyronitrile 196.61
    3,7-dimethyl-1-octanol 87.34
    1-chlorooctane 88.11
    1-chlorotetradecane 42.45
    n-nonane 21.69
    undecane 18.56
    tert-butylcyclohexane 24.12
    cyclooctane 13.35
    cyclopentanol 251.74
    tetrahydropyran 394.35
    tert-amyl methyl ether 121.86
    2,5,8-trioxanonane 195.08
    1-hexene 87.61
    2-isopropoxyethanol 113.65
    2,2,2-trifluoroethanol 63.03
    methyl butyrate 165.68

    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