N1,N5-Dibutyl-2-(2-ethylhexanamido)pentanediamide

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  • Identifiers

    CAS number
    861390-34-3

    Molecular formula
    C21H41N3O3

    SMILES
    CCCCC(CC)C(=O)NC(CCC(=O)NCCCC)C(=O)NCCCC

    Safety labels

  • Odor profile

    Fragrance
    Cooling 46.34%
    Savory 39.12%
    Mint 35.45%
    Fishy 33.18%
    Meaty 32.33%
    Odorless 30.91%
    Herbal 28.08%
    Cheesy 26.37%
    Spicy 21.54%
    Animal 21.18%

     

    Flavor
    Odorless 37.74%
    Bland 30.9%
    Bitter 28.2%
    Mild 24.58%
    Herbal 23.3%
    Sweet-like 19.74%
    Cedarleaf 19.59%
    Lovage 18.87%
    Nitrile 18.82%
    Oriental 18.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    6.77 (neutral)

    Molecular weight
    383.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    507°C

    Flash point

    • 225.23 ˚C est.

  • Synonyms

    • 861390-34-3
    • SCHEMBL10066206
    • OVUBDKNXJHOLMI-UHFFFAOYSA-N
    • DTXSID701352994
    • NS00002908
    • N1,N5-Dibutyl-2-(2-ethylhexanamido)pentanediamide
    • Pentanediamide, N1,N5-dibutyl-2-[(2-ethyl-1-oxohexyl)amino]-
    • 861390-34-3

  • Applications

    N1,N5-Dibutyl-2-(2-ethylhexanamido)pentanediamide (CAS 861390-34-3) is used as a processing additive and a synthetic intermediate in specialty chemical formulations. In polymers and plastics, it can function as a plasticizer or processing aid to improve flexibility and processability. In coatings and inks, it is evaluated as a processing/ lubricating additive to enhance handling and surface performance. It can serve as a lubricant additive in metalworking fluids and in coating formulations. As an intermediate in organic synthesis for specialty chemicals, it is commonly evaluated for such uses. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 109.87
    methanol 204.91
    isopropanol 59.02
    water 2.13
    ethyl acetate 109.09
    n-propanol 94.95
    acetone 160.64
    n-butanol 82.0
    acetonitrile 47.04
    DMF 345.66
    toluene 38.55
    isobutanol 69.51
    1,4-dioxane 104.35
    methyl acetate 105.08
    THF 224.06
    2-butanone 149.06
    n-pentanol 77.21
    sec-butanol 82.11
    n-hexane 2.64
    ethylene glycol 23.9
    NMP 815.98
    cyclohexane 4.1
    DMSO 500.21
    n-butyl acetate 90.27
    n-octanol 28.09
    chloroform 214.67
    n-propyl acetate 86.78
    acetic acid 427.92
    dichloromethane 236.04
    cyclohexanone 364.33
    propylene glycol 54.6
    isopropyl acetate 90.76
    DMAc 699.37
    2-ethoxyethanol 169.98
    isopentanol 76.26
    n-heptane 1.08
    ethyl formate 93.99
    1,2-dichloroethane 157.6
    n-hexanol 43.91
    2-methoxyethanol 220.31
    isobutyl acetate 55.09
    tetrachloromethane 32.17
    n-pentyl acetate 101.98
    transcutol 539.72
    n-heptanol 34.21
    ethylbenzene 22.65
    MIBK 74.38
    2-propoxyethanol 134.19
    tert-butanol 66.31
    MTBE 50.92
    2-butoxyethanol 128.52
    propionic acid 185.75
    o-xylene 37.68
    formic acid 206.91
    diethyl ether 34.63
    m-xylene 26.26
    p-xylene 34.63
    chlorobenzene 76.24
    dimethyl carbonate 58.81
    n-octane 0.93
    formamide 249.17
    cyclopentanone 372.92
    2-pentanone 114.94
    anisole 49.82
    cyclopentyl methyl ether 101.67
    gamma-butyrolactone 439.4
    1-methoxy-2-propanol 156.23
    pyridine 158.57
    3-pentanone 98.31
    furfural 398.55
    n-dodecane 0.73
    diethylene glycol 109.34
    diisopropyl ether 12.73
    tert-amyl alcohol 101.43
    acetylacetone 187.48
    n-hexadecane 0.85
    acetophenone 106.53
    methyl propionate 105.1
    isopentyl acetate 90.82
    trichloroethylene 334.95
    n-nonanol 28.03
    cyclohexanol 106.77
    benzyl alcohol 93.14
    2-ethylhexanol 26.25
    isooctanol 28.85
    dipropyl ether 17.37
    1,2-dichlorobenzene 82.84
    ethyl lactate 64.84
    propylene carbonate 249.95
    n-methylformamide 188.45
    2-pentanol 48.95
    n-pentane 1.8
    1-propoxy-2-propanol 89.78
    1-methoxy-2-propyl acetate 120.07
    2-(2-methoxypropoxy) propanol 115.79
    mesitylene 14.84
    ε-caprolactone 354.92
    p-cymene 13.3
    epichlorohydrin 309.59
    1,1,1-trichloroethane 117.41
    2-aminoethanol 79.43
    morpholine-4-carbaldehyde 401.54
    sulfolane 708.33
    2,2,4-trimethylpentane 2.98
    2-methyltetrahydrofuran 166.28
    n-hexyl acetate 99.28
    isooctane 1.13
    2-(2-butoxyethoxy)ethanol 163.19
    sec-butyl acetate 62.2
    tert-butyl acetate 93.76
    decalin 4.26
    glycerin 106.74
    diglyme 292.69
    acrylic acid 191.44
    isopropyl myristate 23.28
    n-butyric acid 247.42
    acetyl acetate 110.8
    di(2-ethylhexyl) phthalate 52.45
    ethyl propionate 69.47
    nitromethane 454.07
    1,2-diethoxyethane 95.22
    benzonitrile 81.9
    trioctyl phosphate 30.23
    1-bromopropane 54.54
    gamma-valerolactone 590.83
    n-decanol 17.43
    triethyl phosphate 45.33
    4-methyl-2-pentanol 29.43
    propionitrile 46.81
    vinylene carbonate 206.53
    1,1,2-trichlorotrifluoroethane 380.59
    DMS 98.58
    cumene 17.03
    2-octanol 22.34
    2-hexanone 85.69
    octyl acetate 39.55
    limonene 20.16
    1,2-dimethoxyethane 176.17
    ethyl orthosilicate 41.91
    tributyl phosphate 41.8
    diacetone alcohol 144.79
    N,N-dimethylaniline 45.56
    acrylonitrile 71.28
    aniline 82.76
    1,3-propanediol 121.31
    bromobenzene 67.87
    dibromomethane 119.8
    1,1,2,2-tetrachloroethane 290.19
    2-methyl-cyclohexyl acetate 65.83
    tetrabutyl urea 56.14
    diisobutyl methanol 13.12
    2-phenylethanol 64.45
    styrene 28.62
    dioctyl adipate 56.46
    dimethyl sulfate 172.28
    ethyl butyrate 61.76
    methyl lactate 97.73
    butyl lactate 105.07
    diethyl carbonate 43.25
    propanediol butyl ether 136.08
    triethyl orthoformate 48.41
    p-tert-butyltoluene 12.0
    methyl 4-tert-butylbenzoate 113.3
    morpholine 177.24
    tert-butylamine 26.8
    n-dodecanol 11.02
    dimethoxymethane 119.13
    ethylene carbonate 175.27
    cyrene 163.09
    2-ethoxyethyl acetate 170.62
    2-ethylhexyl acetate 68.78
    1,2,4-trichlorobenzene 115.59
    4-methylpyridine 163.66
    dibutyl ether 22.62
    2,6-dimethyl-4-heptanol 13.12
    DEF 204.89
    dimethyl isosorbide 181.91
    tetrachloroethylene 193.65
    eugenol 104.44
    triacetin 144.24
    span 80 97.82
    1,4-butanediol 63.34
    1,1-dichloroethane 110.44
    2-methyl-1-pentanol 82.78
    methyl formate 117.42
    2-methyl-1-butanol 89.91
    n-decane 1.37
    butyronitrile 53.17
    3,7-dimethyl-1-octanol 26.75
    1-chlorooctane 11.29
    1-chlorotetradecane 3.72
    n-nonane 1.17
    undecane 0.95
    tert-butylcyclohexane 3.12
    cyclooctane 1.31
    cyclopentanol 121.32
    tetrahydropyran 103.89
    tert-amyl methyl ether 59.72
    2,5,8-trioxanonane 171.25
    1-hexene 14.74
    2-isopropoxyethanol 124.5
    2,2,2-trifluoroethanol 197.53
    methyl butyrate 111.1

    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