(2E,4E)-N-isobutylundeca-2,4-dien-8,10-diynamide

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  • Identifiers

    CAS number
    13891-74-2

    Molecular formula
    C15H19NO

    SMILES
    CC(C)CNC(=O)/C=C/C=C/CCC#CC#C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 46.76%
    Meaty 41.51%
    Savory 29.59%
    Citrus 28.61%
    Herbal 28.51%
    Roasted 27.23%
    Metallic 24.54%
    Sweet 23.14%
    Grapefruit 21.1%
    Cooked 21.05%

     

    Flavor
    Bitter 52.22%
    Odorless 26.04%
    Nitrile 21.38%
    Oriental 19.96%
    Bland 19.35%
    Cedarleaf 18.46%
    Diterpene 17.86%
    Low 17.83%
    Terpentine 17.83%
    Mouldy 17.8%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.19 (neutral)

    Molecular weight
    229.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    408°C

    Flash point

    • 161.09 ˚C est.

  • Synonyms

    • (2E,4E)-N-isobutylundeca-2,4-dien-8,10-diynamide
    • N-isobutylundeca-2E,4E-dien-8,10-diynamide
    • 13891-74-2
    • N-Isobutylundeca-(2E,4E)-diene-8,10-diynamide
    • SCHEMBL1353463
    • DTXSID401196224
    • (2E,4E)-N-(2-Methylpropyl)-2,4-undecadiene-8,10-diynamide
    • LMFA08020208
    • (2E,4E)-N-Isobutyl-2,4-undecadiene-8,10-diynamide #
    • (E,E)-2,4-undecadien-8,10-diynoic acid isobutylamide
    • (2E,4E)-N-(2-Methylpropyl)undeca-2,4-diene-8,10-diynamide
    • 13891-74-2

  • Applications

    (2E,4E)-N-isobutylundeca-2,4-dien-8,10-diynamide, CAS number: 13891-74-2, is a compound with two acetylene (ethynyl) groups and an amide moiety, used as a reactive intermediate and crosslinking agent in polymer and plastics formulations. In practice, it can function as a crosslinker for epoxy resins and UV-curable coatings, helping to increase hardness and durability of the coating; serves as a building block for polymer and specialty plastic synthesis; can be evaluated as a component for adhesives and composite systems to improve form and heat resistance; may participate in complex organic synthesis routes for electronic and photonic materials; and is considered a precursor for functionalized compounds in the chemical industry, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 237.21
    methanol 390.17
    isopropanol 122.43
    water 0.5
    ethyl acetate 138.82
    n-propanol 143.52
    acetone 317.87
    n-butanol 129.18
    acetonitrile 114.17
    DMF 546.61
    toluene 40.03
    isobutanol 97.94
    1,4-dioxane 150.3
    methyl acetate 143.48
    THF 335.33
    2-butanone 197.59
    n-pentanol 117.78
    sec-butanol 102.39
    n-hexane 7.24
    ethylene glycol 74.44
    NMP 312.28
    cyclohexane 7.65
    DMSO 615.27
    n-butyl acetate 123.88
    n-octanol 44.04
    chloroform 346.97
    n-propyl acetate 125.45
    acetic acid 266.89
    dichloromethane 338.68
    cyclohexanone 231.55
    propylene glycol 111.78
    isopropyl acetate 92.62
    DMAc 447.15
    2-ethoxyethanol 188.07
    isopentanol 107.56
    n-heptane 4.31
    ethyl formate 119.23
    1,2-dichloroethane 232.01
    n-hexanol 102.57
    2-methoxyethanol 258.34
    isobutyl acetate 90.72
    tetrachloromethane 26.09
    n-pentyl acetate 78.82
    transcutol 498.9
    n-heptanol 46.94
    ethylbenzene 32.73
    MIBK 105.02
    2-propoxyethanol 177.41
    tert-butanol 120.82
    MTBE 86.86
    2-butoxyethanol 115.77
    propionic acid 145.61
    o-xylene 32.64
    formic acid 132.78
    diethyl ether 77.86
    m-xylene 34.85
    p-xylene 42.04
    chlorobenzene 87.07
    dimethyl carbonate 75.41
    n-octane 2.52
    formamide 157.91
    cyclopentanone 315.77
    2-pentanone 164.45
    anisole 88.55
    cyclopentyl methyl ether 102.52
    gamma-butyrolactone 306.91
    1-methoxy-2-propanol 187.91
    pyridine 165.66
    3-pentanone 108.52
    furfural 269.93
    n-dodecane 2.8
    diethylene glycol 167.54
    diisopropyl ether 24.1
    tert-amyl alcohol 100.69
    acetylacetone 203.98
    n-hexadecane 3.07
    acetophenone 110.49
    methyl propionate 119.3
    isopentyl acetate 106.51
    trichloroethylene 440.9
    n-nonanol 38.98
    cyclohexanol 84.42
    benzyl alcohol 94.78
    2-ethylhexanol 53.27
    isooctanol 39.49
    dipropyl ether 47.98
    1,2-dichlorobenzene 86.7
    ethyl lactate 82.16
    propylene carbonate 176.59
    n-methylformamide 209.16
    2-pentanol 76.34
    n-pentane 4.88
    1-propoxy-2-propanol 125.48
    1-methoxy-2-propyl acetate 124.02
    2-(2-methoxypropoxy) propanol 110.23
    mesitylene 23.39
    ε-caprolactone 173.89
    p-cymene 23.62
    epichlorohydrin 325.01
    1,1,1-trichloroethane 132.35
    2-aminoethanol 126.93
    morpholine-4-carbaldehyde 247.4
    sulfolane 385.12
    2,2,4-trimethylpentane 5.65
    2-methyltetrahydrofuran 164.73
    n-hexyl acetate 101.24
    isooctane 4.08
    2-(2-butoxyethoxy)ethanol 152.35
    sec-butyl acetate 82.17
    tert-butyl acetate 102.99
    decalin 7.67
    glycerin 143.9
    diglyme 271.64
    acrylic acid 148.09
    isopropyl myristate 36.24
    n-butyric acid 185.1
    acetyl acetate 99.23
    di(2-ethylhexyl) phthalate 51.17
    ethyl propionate 92.71
    nitromethane 358.75
    1,2-diethoxyethane 117.13
    benzonitrile 101.43
    trioctyl phosphate 34.58
    1-bromopropane 94.82
    gamma-valerolactone 324.83
    n-decanol 29.34
    triethyl phosphate 47.9
    4-methyl-2-pentanol 49.65
    propionitrile 99.52
    vinylene carbonate 158.39
    1,1,2-trichlorotrifluoroethane 275.34
    DMS 94.62
    cumene 26.83
    2-octanol 30.05
    2-hexanone 129.82
    octyl acetate 48.82
    limonene 33.88
    1,2-dimethoxyethane 236.26
    ethyl orthosilicate 46.31
    tributyl phosphate 43.82
    diacetone alcohol 138.61
    N,N-dimethylaniline 65.57
    acrylonitrile 134.46
    aniline 78.27
    1,3-propanediol 147.22
    bromobenzene 79.55
    dibromomethane 197.2
    1,1,2,2-tetrachloroethane 346.24
    2-methyl-cyclohexyl acetate 76.04
    tetrabutyl urea 59.82
    diisobutyl methanol 32.43
    2-phenylethanol 82.49
    styrene 42.41
    dioctyl adipate 66.17
    dimethyl sulfate 138.84
    ethyl butyrate 90.77
    methyl lactate 105.16
    butyl lactate 84.56
    diethyl carbonate 64.9
    propanediol butyl ether 130.19
    triethyl orthoformate 64.69
    p-tert-butyltoluene 22.68
    methyl 4-tert-butylbenzoate 85.77
    morpholine 188.94
    tert-butylamine 61.51
    n-dodecanol 22.88
    dimethoxymethane 185.61
    ethylene carbonate 126.06
    cyrene 121.74
    2-ethoxyethyl acetate 121.21
    2-ethylhexyl acetate 81.4
    1,2,4-trichlorobenzene 105.58
    4-methylpyridine 143.23
    dibutyl ether 44.42
    2,6-dimethyl-4-heptanol 32.43
    DEF 162.4
    dimethyl isosorbide 158.72
    tetrachloroethylene 191.02
    eugenol 99.26
    triacetin 117.62
    span 80 94.69
    1,4-butanediol 85.6
    1,1-dichloroethane 180.15
    2-methyl-1-pentanol 102.35
    methyl formate 157.97
    2-methyl-1-butanol 98.29
    n-decane 4.01
    butyronitrile 110.39
    3,7-dimethyl-1-octanol 44.85
    1-chlorooctane 24.35
    1-chlorotetradecane 10.58
    n-nonane 3.52
    undecane 3.26
    tert-butylcyclohexane 7.83
    cyclooctane 2.5
    cyclopentanol 99.32
    tetrahydropyran 142.29
    tert-amyl methyl ether 66.25
    2,5,8-trioxanonane 171.98
    1-hexene 37.1
    2-isopropoxyethanol 129.07
    2,2,2-trifluoroethanol 81.84
    methyl butyrate 138.08

    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