Undecanenitrile

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2244-07-7

    Molecular formula
    C11H21N

    SMILES
    CCCCCCCCCCC#N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Citrus 63.88%
    Fresh 60.84%
    Fatty 58.74%
    Waxy 55.15%
    Green 51.95%
    Aldehydic 46.57%
    Floral 45.51%
    Orange 43.82%
    Fruity 40.41%
    Metallic 37.5%

     

    Flavor
    Bland 21.87%
    Delicate 20.61%
    Slightly waxy 20.41%
    Skunky 19.36%
    Mild 19.27%
    Diterpene 19.13%
    Low 19.06%
    Terpentine 18.98%
    Coumarinic 18.81%
    Nitrile 18.77%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.59 (neutral)

    Molecular weight
    167.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    253°C

    Flash point

    • 108.91 ˚C est.

  • Synonyms

    • UNDECANENITRILE
    • 1-Cyanodecane
    • Undecanonitrile
    • Decyl Cyanide
    • n-Undecanonitrile
    • n-Decyl cyanide
    • hendecanenitrile
    • BQC7C2WO2K
    • Undecanoic acid nitrile
    • 1-DECYL CYANIDE
    • NSC-4026
    • UNII-BQC7C2WO2K
    • DTXSID3062289
    • NSC 4026
    • EINECS 218-826-7
    • AI3-28302
    • nUndecanonitrile
    • 1Cyanodecane
    • RefChem:193081
    • DTXCID4036697
    • SZKKNEOUHLFYNA-UHFFFAOYSA-N
    • 2244-07-7
    • MFCD00001945
    • n-undecanenitrile
    • SCHEMBL61880
    • SCHEMBL547961
    • SCHEMBL547962
    • NSC4026
    • SBB060054
    • AKOS009159057
    • SY053491
    • CS-0450091
    • NS00027183
    • ST50411983
    • U0044
    • D92761
    • Q63399664
    • 2244-07-7

  • Applications

    Undecanenitrile is primarily used as an intermediate in the synthesis of longer-chain nitrile derivatives and other specialty chemicals. It can function as a non-polar solvent or processing aid in industrial manufacturing, including coatings, inks, and cleaning formulations. It also serves as a precursor or building block for specialty polymers and polymer additives. In research and development contexts, it may be explored as a starting point for fragrance chemistry or related specialty materials, depending on formulation requirements and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3100.52
    methanol 2780.86
    isopropanol 3028.43
    water 0.05
    ethyl acetate 6054.6
    n-propanol 2975.81
    acetone 11649.04
    n-butanol 2602.45
    acetonitrile 4601.7
    DMF 5913.92
    toluene 2407.66
    isobutanol 2204.87
    1,4-dioxane 6565.72
    methyl acetate 3919.66
    THF 12026.75
    2-butanone 6515.72
    n-pentanol 1784.6
    sec-butanol 2401.51
    n-hexane 2864.32
    ethylene glycol 280.61
    NMP 4552.09
    cyclohexane 5065.98
    DMSO 8529.02
    n-butyl acetate 5550.9
    n-octanol 989.86
    chloroform 9028.66
    n-propyl acetate 4012.48
    acetic acid 2209.92
    dichloromethane 9127.69
    cyclohexanone 11439.39
    propylene glycol 545.31
    isopropyl acetate 3511.67
    DMAc 3093.92
    2-ethoxyethanol 1749.8
    isopentanol 2113.2
    n-heptane 2081.3
    ethyl formate 2589.69
    1,2-dichloroethane 7247.36
    n-hexanol 2652.99
    2-methoxyethanol 3017.83
    isobutyl acetate 2096.9
    tetrachloromethane 2345.73
    n-pentyl acetate 2736.8
    transcutol 6133.15
    n-heptanol 910.61
    ethylbenzene 1121.36
    MIBK 2648.1
    2-propoxyethanol 2791.94
    tert-butanol 3267.23
    MTBE 4175.5
    2-butoxyethanol 1418.51
    propionic acid 2356.25
    o-xylene 1031.42
    formic acid 311.43
    diethyl ether 7378.75
    m-xylene 1222.97
    p-xylene 1488.09
    chlorobenzene 3226.98
    dimethyl carbonate 977.12
    n-octane 501.19
    formamide 684.52
    cyclopentanone 10584.82
    2-pentanone 6426.35
    anisole 1731.49
    cyclopentyl methyl ether 6289.66
    gamma-butyrolactone 8302.86
    1-methoxy-2-propanol 2581.61
    pyridine 6514.17
    3-pentanone 4498.94
    furfural 4542.55
    n-dodecane 181.82
    diethylene glycol 1181.41
    diisopropyl ether 2078.99
    tert-amyl alcohol 2230.98
    acetylacetone 5356.01
    n-hexadecane 228.37
    acetophenone 1604.88
    methyl propionate 3605.74
    isopentyl acetate 3664.23
    trichloroethylene 9377.62
    n-nonanol 826.2
    cyclohexanol 3760.78
    benzyl alcohol 1022.24
    2-ethylhexanol 1891.5
    isooctanol 767.69
    dipropyl ether 5505.0
    1,2-dichlorobenzene 2612.25
    ethyl lactate 823.0
    propylene carbonate 3620.54
    n-methylformamide 2631.27
    2-pentanol 2221.15
    n-pentane 1733.14
    1-propoxy-2-propanol 2845.37
    1-methoxy-2-propyl acetate 2811.76
    2-(2-methoxypropoxy) propanol 936.76
    mesitylene 820.76
    ε-caprolactone 5821.72
    p-cymene 757.63
    epichlorohydrin 6632.85
    1,1,1-trichloroethane 6878.89
    2-aminoethanol 740.7
    morpholine-4-carbaldehyde 3525.58
    sulfolane 8129.78
    2,2,4-trimethylpentane 340.95
    2-methyltetrahydrofuran 8691.38
    n-hexyl acetate 2789.17
    isooctane 334.54
    2-(2-butoxyethoxy)ethanol 1506.25
    sec-butyl acetate 2275.69
    tert-butyl acetate 3196.08
    decalin 816.76
    glycerin 566.46
    diglyme 3656.45
    acrylic acid 1657.0
    isopropyl myristate 960.53
    n-butyric acid 4101.66
    acetyl acetate 2993.17
    di(2-ethylhexyl) phthalate 534.88
    ethyl propionate 2954.4
    nitromethane 5301.26
    1,2-diethoxyethane 4359.56
    benzonitrile 2304.53
    trioctyl phosphate 490.74
    1-bromopropane 6262.74
    gamma-valerolactone 7947.48
    n-decanol 558.01
    triethyl phosphate 992.25
    4-methyl-2-pentanol 1011.91
    propionitrile 4255.42
    vinylene carbonate 2866.02
    1,1,2-trichlorotrifluoroethane 3521.93
    DMS 1507.03
    cumene 596.01
    2-octanol 767.69
    2-hexanone 4138.78
    octyl acetate 1047.07
    limonene 1693.8
    1,2-dimethoxyethane 4464.02
    ethyl orthosilicate 1026.43
    tributyl phosphate 706.78
    diacetone alcohol 2238.35
    N,N-dimethylaniline 920.04
    acrylonitrile 3755.42
    aniline 1978.12
    1,3-propanediol 1244.75
    bromobenzene 4018.19
    dibromomethane 7369.23
    1,1,2,2-tetrachloroethane 7847.08
    2-methyl-cyclohexyl acetate 1806.7
    tetrabutyl urea 908.79
    diisobutyl methanol 1185.2
    2-phenylethanol 1209.83
    styrene 1667.37
    dioctyl adipate 1237.61
    dimethyl sulfate 1566.22
    ethyl butyrate 3958.41
    methyl lactate 906.3
    butyl lactate 1364.85
    diethyl carbonate 1814.9
    propanediol butyl ether 1061.31
    triethyl orthoformate 2213.55
    p-tert-butyltoluene 742.92
    methyl 4-tert-butylbenzoate 1070.09
    morpholine 7344.1
    tert-butylamine 2547.94
    n-dodecanol 426.79
    dimethoxymethane 3674.48
    ethylene carbonate 2956.81
    cyrene 829.15
    2-ethoxyethyl acetate 2522.73
    2-ethylhexyl acetate 3015.67
    1,2,4-trichlorobenzene 2458.51
    4-methylpyridine 4902.33
    dibutyl ether 3471.56
    2,6-dimethyl-4-heptanol 1185.2
    DEF 4778.72
    dimethyl isosorbide 1916.98
    tetrachloroethylene 5609.41
    eugenol 870.94
    triacetin 1827.54
    span 80 1112.22
    1,4-butanediol 477.28
    1,1-dichloroethane 7273.5
    2-methyl-1-pentanol 1286.33
    methyl formate 1734.2
    2-methyl-1-butanol 1816.45
    n-decane 446.19
    butyronitrile 4697.0
    3,7-dimethyl-1-octanol 1011.15
    1-chlorooctane 1347.01
    1-chlorotetradecane 411.85
    n-nonane 565.22
    undecane 261.77
    tert-butylcyclohexane 603.31
    cyclooctane 1287.39
    cyclopentanol 3986.8
    tetrahydropyran 11919.44
    tert-amyl methyl ether 2446.07
    2,5,8-trioxanonane 1927.78
    1-hexene 4872.89
    2-isopropoxyethanol 1352.49
    2,2,2-trifluoroethanol 619.38
    methyl butyrate 4291.19

    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