10-Undecenenitrile

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  • Identifiers

    CAS number
    53179-04-7

    Molecular formula
    C11H19N

    SMILES
    C=CCCCCCCCCC#N

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Citrus 71.4%
    Fresh 65.62%
    Waxy 56.88%
    Floral 56.52%
    Aldehydic 55.85%
    Green 49.06%
    Fruity 47.99%
    Fatty 46.84%
    Sweet 44.9%
    Orange 44.64%

     

    Flavor
    Delicate 19.86%
    Diterpene 19.31%
    Low 19.26%
    Terpentine 19.09%
    Slightly waxy 19.06%
    Oriental 19.05%
    Nitrile 18.79%
    Skunky 18.42%
    Glue 18.24%
    Coumarinic 18.23%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    6.91 (neutral)

    Molecular weight
    165.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    249°C

    Flash point

    • 110.91 ˚C est.

  • Synonyms

    • 10-Undecenenitrile
    • 53179-04-7
    • EINECS 258-413-9
    • DTXSID6074916
    • RefChem:77650
    • DTXCID8041371
    • NRZJSHMHHFWKBV-UHFFFAOYSA-N
    • undec-10-enenitrile
    • Undec-10-enonitrile
    • SCHEMBL347298
    • NS00032671
    • 53179-04-7

  • Applications

    10-Undecenenitrile (CAS 53179-04-7) is primarily used as an organic synthesis intermediate. In industry, it is commonly evaluated as a building block for nitrile-containing specialty polymers and copolymers, including applications in high-performance coatings and adhesive formulations. It can act as a reactive monomer or functionalizing agent in polymer systems, enabling nitrile functionality and crosslinking sites. It also serves as a precursor for other nitrile-containing intermediates used in the synthesis of specialty chemicals for sectors such as pharmaceuticals and agrochemicals, subject to applicable regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2069.68
    methanol 2278.77
    isopropanol 1777.63
    water 0.08
    ethyl acetate 3249.46
    n-propanol 1755.31
    acetone 6536.0
    n-butanol 1565.93
    acetonitrile 2340.67
    DMF 3707.78
    toluene 1280.13
    isobutanol 1263.35
    1,4-dioxane 3886.16
    methyl acetate 2098.08
    THF 6744.53
    2-butanone 3568.36
    n-pentanol 1081.5
    sec-butanol 1371.3
    n-hexane 1115.41
    ethylene glycol 260.33
    NMP 2548.72
    cyclohexane 2070.23
    DMSO 6816.69
    n-butyl acetate 2642.14
    n-octanol 497.33
    chloroform 4638.85
    n-propyl acetate 1981.03
    acetic acid 1529.97
    dichloromethane 4722.59
    cyclohexanone 5373.79
    propylene glycol 465.4
    isopropyl acetate 1747.32
    DMAc 2063.53
    2-ethoxyethanol 1205.59
    isopentanol 1187.3
    n-heptane 738.78
    ethyl formate 1298.27
    1,2-dichloroethane 3747.19
    n-hexanol 1486.12
    2-methoxyethanol 2077.41
    isobutyl acetate 1058.93
    tetrachloromethane 1006.54
    n-pentyl acetate 1149.38
    transcutol 4610.49
    n-heptanol 452.05
    ethylbenzene 532.39
    MIBK 1378.46
    2-propoxyethanol 1702.52
    tert-butanol 1854.96
    MTBE 2139.21
    2-butoxyethanol 762.42
    propionic acid 1471.51
    o-xylene 531.7
    formic acid 277.27
    diethyl ether 3795.38
    m-xylene 640.25
    p-xylene 655.44
    chlorobenzene 1548.97
    dimethyl carbonate 595.73
    n-octane 174.98
    formamide 528.74
    cyclopentanone 5463.26
    2-pentanone 3335.36
    anisole 933.07
    cyclopentyl methyl ether 3258.8
    gamma-butyrolactone 4406.9
    1-methoxy-2-propanol 1700.88
    pyridine 3369.58
    3-pentanone 2360.37
    furfural 2416.69
    n-dodecane 74.19
    diethylene glycol 885.27
    diisopropyl ether 991.78
    tert-amyl alcohol 1245.68
    acetylacetone 2964.26
    n-hexadecane 91.68
    acetophenone 844.53
    methyl propionate 2069.9
    isopentyl acetate 1695.83
    trichloroethylene 5002.73
    n-nonanol 415.82
    cyclohexanol 1905.99
    benzyl alcohol 602.37
    2-ethylhexanol 940.08
    isooctanol 381.12
    dipropyl ether 2413.2
    1,2-dichlorobenzene 1214.09
    ethyl lactate 473.18
    propylene carbonate 1853.85
    n-methylformamide 1605.55
    2-pentanol 1248.25
    n-pentane 790.78
    1-propoxy-2-propanol 1507.15
    1-methoxy-2-propyl acetate 1516.01
    2-(2-methoxypropoxy) propanol 614.52
    mesitylene 420.54
    ε-caprolactone 2842.26
    p-cymene 347.03
    epichlorohydrin 3696.69
    1,1,1-trichloroethane 3124.92
    2-aminoethanol 568.34
    morpholine-4-carbaldehyde 2029.24
    sulfolane 4451.37
    2,2,4-trimethylpentane 160.14
    2-methyltetrahydrofuran 4563.37
    n-hexyl acetate 1263.72
    isooctane 155.68
    2-(2-butoxyethoxy)ethanol 955.0
    sec-butyl acetate 1081.18
    tert-butyl acetate 1642.93
    decalin 345.12
    glycerin 496.59
    diglyme 2229.73
    acrylic acid 1032.21
    isopropyl myristate 435.79
    n-butyric acid 2251.7
    acetyl acetate 1578.96
    di(2-ethylhexyl) phthalate 285.04
    ethyl propionate 1398.5
    nitromethane 3296.85
    1,2-diethoxyethane 2453.49
    benzonitrile 1136.52
    trioctyl phosphate 246.63
    1-bromopropane 2955.68
    gamma-valerolactone 4175.38
    n-decanol 289.98
    triethyl phosphate 479.76
    4-methyl-2-pentanol 568.91
    propionitrile 1970.93
    vinylene carbonate 1440.82
    1,1,2-trichlorotrifluoroethane 1985.42
    DMS 836.05
    cumene 284.85
    2-octanol 356.93
    2-hexanone 2043.36
    octyl acetate 497.48
    limonene 737.03
    1,2-dimethoxyethane 2493.69
    ethyl orthosilicate 510.66
    tributyl phosphate 347.64
    diacetone alcohol 1216.08
    N,N-dimethylaniline 482.44
    acrylonitrile 1867.57
    aniline 1139.1
    1,3-propanediol 882.75
    bromobenzene 1899.75
    dibromomethane 3697.06
    1,1,2,2-tetrachloroethane 3955.72
    2-methyl-cyclohexyl acetate 886.29
    tetrabutyl urea 441.99
    diisobutyl methanol 551.23
    2-phenylethanol 673.76
    styrene 799.1
    dioctyl adipate 603.17
    dimethyl sulfate 999.62
    ethyl butyrate 1795.12
    methyl lactate 583.4
    butyl lactate 661.26
    diethyl carbonate 866.54
    propanediol butyl ether 671.7
    triethyl orthoformate 1032.86
    p-tert-butyltoluene 334.07
    methyl 4-tert-butylbenzoate 561.48
    morpholine 4299.81
    tert-butylamine 1371.88
    n-dodecanol 223.41
    dimethoxymethane 2360.86
    ethylene carbonate 1462.79
    cyrene 532.13
    2-ethoxyethyl acetate 1314.91
    2-ethylhexyl acetate 1392.44
    1,2,4-trichlorobenzene 1214.05
    4-methylpyridine 2530.3
    dibutyl ether 1498.69
    2,6-dimethyl-4-heptanol 551.23
    DEF 2432.85
    dimethyl isosorbide 1138.26
    tetrachloroethylene 2863.77
    eugenol 495.61
    triacetin 1004.79
    span 80 629.48
    1,4-butanediol 355.52
    1,1-dichloroethane 3576.39
    2-methyl-1-pentanol 750.44
    methyl formate 1110.02
    2-methyl-1-butanol 1030.9
    n-decane 169.75
    butyronitrile 2181.29
    3,7-dimethyl-1-octanol 507.11
    1-chlorooctane 553.97
    1-chlorotetradecane 182.82
    n-nonane 205.74
    undecane 104.86
    tert-butylcyclohexane 251.06
    cyclooctane 522.74
    cyclopentanol 2027.84
    tetrahydropyran 6418.22
    tert-amyl methyl ether 1244.53
    2,5,8-trioxanonane 1246.68
    1-hexene 2156.75
    2-isopropoxyethanol 884.94
    2,2,2-trifluoroethanol 403.41
    methyl butyrate 1985.73

    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