(E)-undec-2-enenitrile

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  • Identifiers

    CAS number
    78020-32-3

    Molecular formula
    C11H19N

    SMILES
    CCCCCCCC/C=C/C#N

    Safety labels

  • Odor profile

    Fragrance
    Green 66.72%
    Citrus 62.09%
    Fatty 56.15%
    Fresh 54.38%
    Floral 51.91%
    Aldehydic 51.58%
    Waxy 51.46%
    Fruity 39.62%
    Metallic 37.41%
    Orange 34.12%

     

    Flavor
    Herbal 21.35%
    Oriental 20.24%
    Low 19.88%
    Diterpene 19.77%
    Terpentine 19.7%
    Delicate 19.64%
    Nitrile 19.61%
    Slightly waxy 18.77%
    Opoponax 18.73%
    Sandalwood 18.53%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.54 (neutral)

    Molecular weight
    165.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    257°C

    Flash point

    • 112.96 ˚C est.

  • Synonyms

    • Undecenonitrile
    • EINECS 278-821-0
    • 78020-32-3
    • (E)-undec-2-enenitrile
    • SCHEMBL112769
    • HETFMJQWNWIBPN-MDZDMXLPSA-N
    • NS00013322
    • 78020-32-3

  • Applications

    (E)-undec-2-enenitrile (CAS 78020-32-3) is primarily used as an organic synthesis intermediate for the production of pharmaceutical, agrochemical, and other fine chemicals. It also serves as a building block for nitrile-containing polymers and specialty plastics, potentially as a monomer or comonomer in functional polymer systems. In addition, it can act as a precursor for fragrance-related compounds in fragrance chemistry and may be used as a reactive intermediate in coatings and ink formulations where the nitrile functionality and long aliphatic chain provide useful reactivity. Actual usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2077.19
    methanol 1962.79
    isopropanol 1773.35
    water 0.04
    ethyl acetate 3543.24
    n-propanol 1817.18
    acetone 8297.15
    n-butanol 1494.41
    acetonitrile 2754.47
    DMF 4273.01
    toluene 1667.93
    isobutanol 1249.03
    1,4-dioxane 4299.87
    methyl acetate 2524.73
    THF 8114.66
    2-butanone 4268.9
    n-pentanol 1052.25
    sec-butanol 1347.75
    n-hexane 1165.83
    ethylene glycol 216.52
    NMP 3245.65
    cyclohexane 2377.05
    DMSO 7206.27
    n-butyl acetate 3093.41
    n-octanol 497.19
    chloroform 5470.95
    n-propyl acetate 2195.39
    acetic acid 1443.77
    dichloromethane 6098.56
    cyclohexanone 6288.86
    propylene glycol 404.2
    isopropyl acetate 1923.81
    DMAc 2251.37
    2-ethoxyethanol 1125.71
    isopentanol 1098.87
    n-heptane 776.86
    ethyl formate 1390.72
    1,2-dichloroethane 5026.71
    n-hexanol 1566.48
    2-methoxyethanol 1980.53
    isobutyl acetate 1136.78
    tetrachloromethane 1240.76
    n-pentyl acetate 1313.05
    transcutol 4320.33
    n-heptanol 476.87
    ethylbenzene 601.97
    MIBK 1541.26
    2-propoxyethanol 1742.26
    tert-butanol 1885.16
    MTBE 2472.73
    2-butoxyethanol 787.47
    propionic acid 1422.02
    o-xylene 586.33
    formic acid 201.37
    diethyl ether 4272.96
    m-xylene 761.41
    p-xylene 771.59
    chlorobenzene 1958.36
    dimethyl carbonate 660.75
    n-octane 193.15
    formamide 461.12
    cyclopentanone 6601.36
    2-pentanone 3795.75
    anisole 1046.15
    cyclopentyl methyl ether 3865.53
    gamma-butyrolactone 5043.42
    1-methoxy-2-propanol 1643.73
    pyridine 4306.41
    3-pentanone 2747.47
    furfural 2523.97
    n-dodecane 85.77
    diethylene glycol 799.16
    diisopropyl ether 1083.17
    tert-amyl alcohol 1211.89
    acetylacetone 3417.7
    n-hexadecane 106.6
    acetophenone 920.31
    methyl propionate 2308.52
    isopentyl acetate 1949.38
    trichloroethylene 6514.81
    n-nonanol 423.33
    cyclohexanol 1894.47
    benzyl alcohol 624.17
    2-ethylhexanol 988.25
    isooctanol 391.88
    dipropyl ether 2595.82
    1,2-dichlorobenzene 1442.2
    ethyl lactate 459.68
    propylene carbonate 2021.54
    n-methylformamide 1681.86
    2-pentanol 1160.47
    n-pentane 809.23
    1-propoxy-2-propanol 1589.96
    1-methoxy-2-propyl acetate 1687.86
    2-(2-methoxypropoxy) propanol 589.37
    mesitylene 498.57
    ε-caprolactone 3130.29
    p-cymene 392.61
    epichlorohydrin 4632.1
    1,1,1-trichloroethane 4012.21
    2-aminoethanol 508.79
    morpholine-4-carbaldehyde 2318.85
    sulfolane 5550.33
    2,2,4-trimethylpentane 166.51
    2-methyltetrahydrofuran 5526.43
    n-hexyl acetate 1399.78
    isooctane 173.69
    2-(2-butoxyethoxy)ethanol 922.1
    sec-butyl acetate 1179.09
    tert-butyl acetate 1825.56
    decalin 382.3
    glycerin 406.93
    diglyme 2232.35
    acrylic acid 997.51
    isopropyl myristate 493.14
    n-butyric acid 2136.12
    acetyl acetate 1714.58
    di(2-ethylhexyl) phthalate 297.42
    ethyl propionate 1542.59
    nitromethane 3401.61
    1,2-diethoxyethane 2699.19
    benzonitrile 1268.84
    trioctyl phosphate 259.51
    1-bromopropane 3798.05
    gamma-valerolactone 4590.82
    n-decanol 296.79
    triethyl phosphate 496.46
    4-methyl-2-pentanol 521.4
    propionitrile 2248.76
    vinylene carbonate 1545.63
    1,1,2-trichlorotrifluoroethane 2299.83
    DMS 934.54
    cumene 310.36
    2-octanol 361.02
    2-hexanone 2356.22
    octyl acetate 560.5
    limonene 832.1
    1,2-dimethoxyethane 2598.57
    ethyl orthosilicate 512.79
    tributyl phosphate 368.88
    diacetone alcohol 1303.4
    N,N-dimethylaniline 529.03
    acrylonitrile 2120.64
    aniline 1289.8
    1,3-propanediol 783.43
    bromobenzene 2450.04
    dibromomethane 4866.88
    1,1,2,2-tetrachloroethane 4947.52
    2-methyl-cyclohexyl acetate 964.86
    tetrabutyl urea 491.09
    diisobutyl methanol 583.99
    2-phenylethanol 748.52
    styrene 952.11
    dioctyl adipate 636.91
    dimethyl sulfate 1110.3
    ethyl butyrate 1904.7
    methyl lactate 611.22
    butyl lactate 682.18
    diethyl carbonate 897.47
    propanediol butyl ether 621.12
    triethyl orthoformate 1054.51
    p-tert-butyltoluene 386.44
    methyl 4-tert-butylbenzoate 586.87
    morpholine 4937.11
    tert-butylamine 1397.73
    n-dodecanol 233.29
    dimethoxymethane 2805.06
    ethylene carbonate 1497.79
    cyrene 521.35
    2-ethoxyethyl acetate 1467.37
    2-ethylhexyl acetate 1594.28
    1,2,4-trichlorobenzene 1520.3
    4-methylpyridine 3104.58
    dibutyl ether 1581.37
    2,6-dimethyl-4-heptanol 583.99
    DEF 2811.04
    dimethyl isosorbide 1182.09
    tetrachloroethylene 3382.74
    eugenol 511.19
    triacetin 1020.3
    span 80 638.9
    1,4-butanediol 306.66
    1,1-dichloroethane 4702.66
    2-methyl-1-pentanol 732.27
    methyl formate 1151.54
    2-methyl-1-butanol 981.7
    n-decane 186.78
    butyronitrile 2381.64
    3,7-dimethyl-1-octanol 524.93
    1-chlorooctane 617.77
    1-chlorotetradecane 211.43
    n-nonane 224.12
    undecane 120.4
    tert-butylcyclohexane 283.35
    cyclooctane 608.93
    cyclopentanol 2175.35
    tetrahydropyran 7264.26
    tert-amyl methyl ether 1343.75
    2,5,8-trioxanonane 1201.52
    1-hexene 2392.14
    2-isopropoxyethanol 845.88
    2,2,2-trifluoroethanol 371.6
    methyl butyrate 2122.65

    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