Hexadecanenitrile

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  • Identifiers

    CAS number
    629-79-8

    Molecular formula
    C16H31N

    SMILES
    CCCCCCCCCCCCCCCC#N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 57.49%
    Fatty 52.69%
    Citrus 51.46%
    Fresh 51.36%
    Oily 36.56%
    Green 35.98%
    Meaty 33.99%
    Orange 32.48%
    Aldehydic 31.98%
    Metallic 31.85%

     

    Flavor
    Bland 26.13%
    Waxy 24.03%
    Alkane 23.88%
    Slightly waxy 21.1%
    Mild 20.99%
    Delicate 20.95%
    Faint 20.88%
    Diterpene 19.1%
    Low 19.05%
    Oriental 18.82%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.9

    pKa est.
    7.23 (neutral)

    Molecular weight
    237.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    334°C

    Flash point

    • 151.23 ˚C est.

  • Synonyms

    • Hexadecanenitrile
    • Palmitonitrile
    • NSC 2137
    • EINECS 211-110-5
    • AI3-11234
    • NU03440G5D
    • NSC-2137
    • PALMITIC ACID NITRILE
    • UNII-NU03440G5D
    • DTXSID5027271
    • Palmitonitrile (8CI)
    • RefChem:145956
    • DTXCID607271
    • WGXGAUQEMYSVJM-UHFFFAOYSA-N
    • 629-79-8
    • 1-Cyanopentadecane
    • Palmitic acid, nitrile
    • MFCD01310359
    • SCHEMBL346535
    • SCHEMBL4755745
    • SCHEMBL4755746
    • CHEMBL1952291
    • NSC2137
    • CHEBI:219523
    • AKOS037645074
    • AS-56829
    • DB-254914
    • CS-0160269
    • NS00035235
    • D80676
    • 629-79-8

  • Applications

    Hexadecanenitrile (CAS 629-79-8) is a long-chain aliphatic nitrile primarily used as an industrial intermediate and processing aid. It can be hydrolyzed to palmitic acid and serves as a building block for long-chain fatty-acid derivatives such as esters and amides used in specialty polymers, lubricants, and cosmetic ingredient supply chains. It also functions as a high-boiling solvent and processing aid for coatings, inks, and cleaners where nonpolar components require dissolution. As a nitrile, it is commonly evaluated as a feedstock for surfactants and other long-chain nitrogen-containing compounds, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 278.82
    methanol 219.08
    isopropanol 363.91
    water 0.02
    ethyl acetate 1903.14
    n-propanol 402.02
    acetone 1980.99
    n-butanol 425.47
    acetonitrile 694.03
    DMF 1931.35
    toluene 834.94
    isobutanol 386.18
    1,4-dioxane 1934.22
    methyl acetate 1150.65
    THF 4203.55
    2-butanone 1594.31
    n-pentanol 298.22
    sec-butanol 407.1
    n-hexane 531.71
    ethylene glycol 32.55
    NMP 2576.01
    cyclohexane 2102.55
    DMSO 2209.12
    n-butyl acetate 2083.39
    n-octanol 341.96
    chloroform 3685.4
    n-propyl acetate 1543.26
    acetic acid 466.22
    dichloromethane 3503.58
    cyclohexanone 4241.58
    propylene glycol 79.98
    isopropyl acetate 1473.32
    DMAc 1571.46
    2-ethoxyethanol 440.77
    isopentanol 479.95
    n-heptane 813.99
    ethyl formate 735.91
    1,2-dichloroethane 2763.3
    n-hexanol 472.54
    2-methoxyethanol 590.63
    isobutyl acetate 1035.87
    tetrachloromethane 1119.64
    n-pentyl acetate 1504.89
    transcutol 2110.43
    n-heptanol 311.15
    ethylbenzene 482.93
    MIBK 1115.88
    2-propoxyethanol 701.53
    tert-butanol 612.68
    MTBE 1111.32
    2-butoxyethanol 577.15
    propionic acid 576.96
    o-xylene 558.78
    formic acid 60.35
    diethyl ether 1450.67
    m-xylene 564.38
    p-xylene 700.04
    chlorobenzene 1332.96
    dimethyl carbonate 465.94
    n-octane 205.94
    formamide 160.37
    cyclopentanone 4461.43
    2-pentanone 1816.17
    anisole 800.41
    cyclopentyl methyl ether 2491.86
    gamma-butyrolactone 3856.93
    1-methoxy-2-propanol 642.42
    pyridine 2069.86
    3-pentanone 1613.9
    furfural 2167.83
    n-dodecane 86.71
    diethylene glycol 260.67
    diisopropyl ether 735.2
    tert-amyl alcohol 537.22
    acetylacetone 2153.51
    n-hexadecane 109.93
    acetophenone 878.02
    methyl propionate 1251.22
    isopentyl acetate 1648.71
    trichloroethylene 4313.9
    n-nonanol 328.52
    cyclohexanol 1032.02
    benzyl alcohol 407.1
    2-ethylhexanol 603.56
    isooctanol 329.84
    dipropyl ether 2179.24
    1,2-dichlorobenzene 1449.45
    ethyl lactate 412.58
    propylene carbonate 1849.29
    n-methylformamide 574.57
    2-pentanol 447.89
    n-pentane 354.33
    1-propoxy-2-propanol 926.58
    1-methoxy-2-propyl acetate 1383.73
    2-(2-methoxypropoxy) propanol 499.65
    mesitylene 488.53
    ε-caprolactone 2505.82
    p-cymene 488.73
    epichlorohydrin 2780.16
    1,1,1-trichloroethane 3238.7
    2-aminoethanol 106.55
    morpholine-4-carbaldehyde 1612.65
    sulfolane 4885.57
    2,2,4-trimethylpentane 149.85
    2-methyltetrahydrofuran 2749.71
    n-hexyl acetate 1367.81
    isooctane 128.29
    2-(2-butoxyethoxy)ethanol 704.73
    sec-butyl acetate 1125.72
    tert-butyl acetate 1658.39
    decalin 406.54
    glycerin 115.76
    diglyme 1843.16
    acrylic acid 420.56
    isopropyl myristate 587.43
    n-butyric acid 1159.27
    acetyl acetate 1295.81
    di(2-ethylhexyl) phthalate 332.99
    ethyl propionate 1354.73
    nitromethane 1403.77
    1,2-diethoxyethane 1691.58
    benzonitrile 852.96
    trioctyl phosphate 305.04
    1-bromopropane 1864.51
    gamma-valerolactone 3300.62
    n-decanol 229.83
    triethyl phosphate 723.5
    4-methyl-2-pentanol 303.1
    propionitrile 787.06
    vinylene carbonate 1382.03
    1,1,2-trichlorotrifluoroethane 1646.29
    DMS 881.87
    cumene 343.01
    2-octanol 297.9
    2-hexanone 1308.5
    octyl acetate 615.36
    limonene 977.74
    1,2-dimethoxyethane 1507.08
    ethyl orthosilicate 726.96
    tributyl phosphate 425.97
    diacetone alcohol 1000.27
    N,N-dimethylaniline 554.99
    acrylonitrile 773.05
    aniline 704.59
    1,3-propanediol 206.81
    bromobenzene 1712.01
    dibromomethane 2572.14
    1,1,2,2-tetrachloroethane 4030.69
    2-methyl-cyclohexyl acetate 1147.68
    tetrabutyl urea 568.25
    diisobutyl methanol 517.26
    2-phenylethanol 456.58
    styrene 636.82
    dioctyl adipate 818.18
    dimethyl sulfate 911.57
    ethyl butyrate 2022.2
    methyl lactate 382.0
    butyl lactate 741.52
    diethyl carbonate 1055.42
    propanediol butyl ether 407.6
    triethyl orthoformate 1363.6
    p-tert-butyltoluene 465.0
    methyl 4-tert-butylbenzoate 826.83
    morpholine 2032.03
    tert-butylamine 516.79
    n-dodecanol 183.94
    dimethoxymethane 1160.04
    ethylene carbonate 1423.39
    cyrene 553.56
    2-ethoxyethyl acetate 1292.17
    2-ethylhexyl acetate 1490.18
    1,2,4-trichlorobenzene 1456.67
    4-methylpyridine 1655.14
    dibutyl ether 1462.9
    2,6-dimethyl-4-heptanol 517.26
    DEF 1738.57
    dimethyl isosorbide 1324.57
    tetrachloroethylene 2680.1
    eugenol 567.34
    triacetin 1261.76
    span 80 566.59
    1,4-butanediol 90.87
    1,1-dichloroethane 2386.41
    2-methyl-1-pentanol 315.25
    methyl formate 485.79
    2-methyl-1-butanol 410.01
    n-decane 205.0
    butyronitrile 918.89
    3,7-dimethyl-1-octanol 407.47
    1-chlorooctane 655.28
    1-chlorotetradecane 221.02
    n-nonane 235.14
    undecane 122.23
    tert-butylcyclohexane 280.47
    cyclooctane 579.64
    cyclopentanol 1086.74
    tetrahydropyran 3297.99
    tert-amyl methyl ether 906.22
    2,5,8-trioxanonane 1111.04
    1-hexene 843.95
    2-isopropoxyethanol 412.76
    2,2,2-trifluoroethanol 218.1
    methyl butyrate 1809.51

    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