Tetradecanenitrile

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  • Identifiers

    CAS number
    629-63-0

    Molecular formula
    C14H27N

    SMILES
    CCCCCCCCCCCCCC#N

  • Odor profile

    Fragrance
    Citrus 58.95%
    Fresh 56.78%
    Waxy 55.97%
    Fatty 53.97%
    Green 42.38%
    Orange 38.89%
    Aldehydic 38.83%
    Oily 36.51%
    Fruity 35.34%
    Metallic 35.17%

     

    Flavor
    Bland 24.79%
    Waxy 21.13%
    Slightly waxy 20.95%
    Delicate 20.94%
    Alkane 20.77%
    Mild 20.46%
    Faint 20.27%
    Diterpene 19.18%
    Low 19.13%
    Skunky 18.99%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    7.24 (neutral)

    Molecular weight
    209.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    302°C

    Flash point

    • 135.4 ˚C est.

  • Synonyms

    • Tetradecanenitrile
    • Myristonitrile
    • 629-63-0
    • Tetradecanonitrile
    • ORANILE
    • 1-Cyanotridecane
    • Myristyl nitrile
    • NSC 910
    • EINECS 211-099-7
    • AI3-00310
    • DTXSID3060877
    • N-TRIDECYL CYANIDE
    • Cyanotridecane
    • clean nitrile
    • NSC910
    • Tridecyl Cyanide
    • MFCD00019848
    • C14-18 Nitriles
    • SCHEMBL1003191
    • DTXCID8043579
    • NSC-910
    • CHEBI:219505
    • EINECS 268-080-1
    • AKOS006037399
    • DB-054350
    • M0740
    • NS00020680
    • 211-099-7

  • Applications

    Tetradecanenitrile (CAS 629-63-0) is a long-chain aliphatic nitrile that is primarily used as an intermediate in organic synthesis. It is commonly evaluated as a feedstock for the production of specialty polymers, including long-chain polyamides and polyesters, and as a building block toward long-chain diamines and dicarboxylic acids. It also serves as a precursor in lubricant formulations and lubricant additives, and can function as a processing aid or nonpolar solvent in industrial manufacturing. In coatings, inks, and adhesives, it may be used as a processing solvent or diluent under controlled formulation conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 701.02
    methanol 553.37
    isopropanol 831.92
    water 0.02
    ethyl acetate 2979.09
    n-propanol 875.23
    acetone 3982.74
    n-butanol 858.68
    acetonitrile 1404.18
    DMF 3034.21
    toluene 1341.09
    isobutanol 758.26
    1,4-dioxane 3079.17
    methyl acetate 1831.15
    THF 6515.95
    2-butanone 2835.66
    n-pentanol 577.95
    sec-butanol 809.38
    n-hexane 1112.74
    ethylene glycol 65.76
    NMP 3308.22
    cyclohexane 3169.34
    DMSO 3669.84
    n-butyl acetate 3113.03
    n-octanol 523.32
    chloroform 5290.51
    n-propyl acetate 2268.34
    acetic acid 794.63
    dichloromethane 4984.92
    cyclohexanone 6538.13
    propylene glycol 160.86
    isopropyl acetate 2063.51
    DMAc 2111.39
    2-ethoxyethanol 726.95
    isopentanol 855.49
    n-heptane 1274.6
    ethyl formate 1160.09
    1,2-dichloroethane 4069.8
    n-hexanol 904.84
    2-methoxyethanol 1076.18
    isobutyl acetate 1407.89
    tetrachloromethane 1514.96
    n-pentyl acetate 1928.65
    transcutol 3192.43
    n-heptanol 477.47
    ethylbenzene 703.83
    MIBK 1598.38
    2-propoxyethanol 1183.96
    tert-butanol 1151.09
    MTBE 1930.85
    2-butoxyethanol 818.78
    propionic acid 957.47
    o-xylene 741.97
    formic acid 99.46
    diethyl ether 2759.54
    m-xylene 805.77
    p-xylene 968.27
    chlorobenzene 1977.98
    dimethyl carbonate 621.66
    n-octane 312.57
    formamide 260.32
    cyclopentanone 6335.13
    2-pentanone 3027.7
    anisole 1101.6
    cyclopentyl methyl ether 3735.34
    gamma-butyrolactone 5263.36
    1-methoxy-2-propanol 1070.46
    pyridine 3322.93
    3-pentanone 2528.22
    furfural 2974.98
    n-dodecane 122.16
    diethylene glycol 461.01
    diisopropyl ether 1147.6
    tert-amyl alcohol 920.43
    acetylacetone 3077.69
    n-hexadecane 154.48
    acetophenone 1118.43
    methyl propionate 1921.15
    isopentyl acetate 2310.89
    trichloroethylene 5969.83
    n-nonanol 462.44
    cyclohexanol 1732.97
    benzyl alcohol 582.92
    2-ethylhexanol 958.11
    isooctanol 472.98
    dipropyl ether 3361.67
    1,2-dichlorobenzene 1898.85
    ethyl lactate 546.8
    propylene carbonate 2356.15
    n-methylformamide 985.31
    2-pentanol 839.54
    n-pentane 681.53
    1-propoxy-2-propanol 1477.22
    1-methoxy-2-propyl acetate 1844.17
    2-(2-methoxypropoxy) propanol 656.64
    mesitylene 625.09
    ε-caprolactone 3556.93
    p-cymene 612.69
    epichlorohydrin 3950.73
    1,1,1-trichloroethane 4396.94
    2-aminoethanol 210.23
    morpholine-4-carbaldehyde 2176.78
    sulfolane 6186.7
    2,2,4-trimethylpentane 213.78
    2-methyltetrahydrofuran 4272.16
    n-hexyl acetate 1862.43
    isooctane 196.47
    2-(2-butoxyethoxy)ethanol 965.97
    sec-butyl acetate 1546.7
    tert-butyl acetate 2202.86
    decalin 568.87
    glycerin 200.96
    diglyme 2400.88
    acrylic acid 686.34
    isopropyl myristate 752.36
    n-butyric acid 1864.9
    acetyl acetate 1761.56
    di(2-ethylhexyl) phthalate 416.61
    ethyl propionate 1937.46
    nitromethane 2278.64
    1,2-diethoxyethane 2448.75
    benzonitrile 1249.61
    trioctyl phosphate 381.11
    1-bromopropane 2981.77
    gamma-valerolactone 4675.48
    n-decanol 320.51
    triethyl phosphate 866.97
    4-methyl-2-pentanol 495.19
    propionitrile 1522.21
    vinylene carbonate 1835.1
    1,1,2-trichlorotrifluoroethane 2251.25
    DMS 1089.31
    cumene 454.56
    2-octanol 437.59
    2-hexanone 2116.91
    octyl acetate 793.53
    limonene 1257.81
    1,2-dimethoxyethane 2294.28
    ethyl orthosilicate 878.84
    tributyl phosphate 539.32
    diacetone alcohol 1387.05
    N,N-dimethylaniline 702.41
    acrylonitrile 1403.13
    aniline 1063.75
    1,3-propanediol 396.93
    bromobenzene 2493.94
    dibromomethane 3786.06
    1,1,2,2-tetrachloroethane 5352.93
    2-methyl-cyclohexyl acetate 1424.57
    tetrabutyl urea 714.38
    diisobutyl methanol 758.08
    2-phenylethanol 662.5
    styrene 965.69
    dioctyl adipate 1005.47
    dimethyl sulfate 1123.17
    ethyl butyrate 2713.92
    methyl lactate 525.96
    butyl lactate 945.69
    diethyl carbonate 1358.65
    propanediol butyl ether 589.33
    triethyl orthoformate 1725.54
    p-tert-butyltoluene 595.51
    methyl 4-tert-butylbenzoate 946.57
    morpholine 3335.24
    tert-butylamine 951.67
    n-dodecanol 260.6
    dimethoxymethane 1805.41
    ethylene carbonate 1856.89
    cyrene 674.02
    2-ethoxyethyl acetate 1689.66
    2-ethylhexyl acetate 2024.81
    1,2,4-trichlorobenzene 1860.98
    4-methylpyridine 2645.22
    dibutyl ether 2134.0
    2,6-dimethyl-4-heptanol 758.08
    DEF 2657.98
    dimethyl isosorbide 1571.6
    tetrachloroethylene 3671.43
    eugenol 692.49
    triacetin 1482.55
    span 80 757.93
    1,4-butanediol 161.38
    1,1-dichloroethane 3689.1
    2-methyl-1-pentanol 539.57
    methyl formate 749.66
    2-methyl-1-butanol 725.57
    n-decane 290.31
    butyronitrile 1712.34
    3,7-dimethyl-1-octanol 580.8
    1-chlorooctane 908.51
    1-chlorotetradecane 293.94
    n-nonane 349.82
    undecane 173.27
    tert-butylcyclohexane 394.84
    cyclooctane 850.89
    cyclopentanol 1807.45
    tetrahydropyran 5481.99
    tert-amyl methyl ether 1384.4
    2,5,8-trioxanonane 1390.21
    1-hexene 1814.68
    2-isopropoxyethanol 652.06
    2,2,2-trifluoroethanol 306.65
    methyl butyrate 2591.59

    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