Pentadecanenitrile

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  • Identifiers

    CAS number
    18300-91-9

    Molecular formula
    C15H29N

    SMILES
    CCCCCCCCCCCCCCC#N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 56.66%
    Citrus 55.54%
    Fresh 54.26%
    Fatty 53.23%
    Green 39.31%
    Oily 36.52%
    Orange 35.87%
    Aldehydic 35.5%
    Metallic 33.62%
    Meaty 32.98%

     

    Flavor
    Bland 25.52%
    Waxy 22.64%
    Alkane 22.38%
    Slightly waxy 21.04%
    Delicate 20.96%
    Mild 20.75%
    Faint 20.63%
    Diterpene 19.15%
    Low 19.1%
    Skunky 18.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    7.28 (neutral)

    Molecular weight
    223.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    318°C

    Flash point

    • 143.65 ˚C est.

  • Synonyms

    • Pentadecanenitrile
    • 18300-91-9
    • n-Pentadecanonitrile
    • Pentadecanonitrile
    • Tetradecyl cyanide
    • Pentadecanitrile
    • EINECS 242-184-7
    • DTXSID50171375
    • RefChem:171337
    • DTXCID3093866
    • 242-184-7
    • KRKQHNVYOWTEQO-UHFFFAOYSA-N
    • MFCD00019849
    • pentadecannitril
    • Myristyl Cyanide
    • C15H29N
    • SCHEMBL60022
    • SCHEMBL4754561
    • SCHEMBL4754562
    • SCHEMBL8602004
    • CHEBI:219509
    • TAA30091
    • AKOS037645091
    • AS-57025
    • DB-044482
    • CS-0205163
    • NS00051502
    • P0871
    • D92034
    • 18300-91-9

  • Applications

    Pentadecanenitrile (CAS 18300-91-9) is primarily used as a chemical intermediate in organic synthesis to furnish long-chain amines and amides, providing building blocks for specialty polymers and industrial additives. It can serve as a hydrophobic tail component in the formulation of surfactants and lubricant additives, and may act as a processing aid or solvent in certain industrial manufacturing steps. In coatings/inks and adhesives, pentadecanenitrile is evaluated as a reactive intermediate or formulation component to tailor hydrophobic properties and material performance. Overall, it is regarded as a multi-industry precursor for materials and additives, with other applications dependent on formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 449.53
    methanol 352.14
    isopropanol 554.58
    water 0.03
    ethyl acetate 2379.62
    n-propanol 601.11
    acetone 2807.33
    n-butanol 601.49
    acetonitrile 995.9
    DMF 2386.2
    toluene 1044.53
    isobutanol 545.61
    1,4-dioxane 2417.5
    methyl acetate 1440.62
    THF 5133.85
    2-butanone 2101.37
    n-pentanol 415.59
    sec-butanol 578.08
    n-hexane 774.55
    ethylene glycol 46.91
    NMP 2880.18
    cyclohexane 2618.88
    DMSO 2801.74
    n-butyl acetate 2536.42
    n-octanol 424.26
    chloroform 4377.86
    n-propyl acetate 1852.75
    acetic acid 613.81
    dichloromethane 4127.99
    cyclohexanone 5204.81
    propylene glycol 114.23
    isopropyl acetate 1741.47
    DMAc 1800.57
    2-ethoxyethanol 565.71
    isopentanol 644.41
    n-heptane 1038.31
    ethyl formate 927.09
    1,2-dichloroethane 3294.63
    n-hexanol 653.74
    2-methoxyethanol 791.8
    isobutyl acetate 1201.61
    tetrachloromethane 1316.62
    n-pentyl acetate 1709.75
    transcutol 2563.99
    n-heptanol 389.21
    ethylbenzene 575.45
    MIBK 1315.77
    2-propoxyethanol 902.83
    tert-butanol 842.69
    MTBE 1447.79
    2-butoxyethanol 686.09
    propionic acid 749.72
    o-xylene 638.29
    formic acid 78.52
    diethyl ether 1988.85
    m-xylene 668.41
    p-xylene 816.14
    chlorobenzene 1602.31
    dimethyl carbonate 536.04
    n-octane 257.59
    formamide 207.34
    cyclopentanone 5239.79
    2-pentanone 2317.27
    anisole 925.01
    cyclopentyl methyl ether 2998.46
    gamma-butyrolactone 4455.25
    1-methoxy-2-propanol 822.99
    pyridine 2590.28
    3-pentanone 2023.71
    furfural 2517.46
    n-dodecane 104.26
    diethylene glycol 344.0
    diisopropyl ether 918.7
    tert-amyl alcohol 702.49
    acetylacetone 2529.61
    n-hexadecane 131.68
    acetophenone 983.85
    methyl propionate 1540.68
    isopentyl acetate 1945.39
    trichloroethylene 4975.39
    n-nonanol 388.52
    cyclohexanol 1337.43
    benzyl alcohol 481.01
    2-ethylhexanol 766.69
    isooctanol 399.05
    dipropyl ether 2712.07
    1,2-dichlorobenzene 1645.64
    ethyl lactate 472.77
    propylene carbonate 2080.85
    n-methylformamide 750.58
    2-pentanol 619.04
    n-pentane 500.62
    1-propoxy-2-propanol 1173.52
    1-methoxy-2-propyl acetate 1587.15
    2-(2-methoxypropoxy) propanol 568.4
    mesitylene 551.55
    ε-caprolactone 2951.51
    p-cymene 547.11
    epichlorohydrin 3264.97
    1,1,1-trichloroethane 3739.77
    2-aminoethanol 152.14
    morpholine-4-carbaldehyde 1849.38
    sulfolane 5422.28
    2,2,4-trimethylpentane 180.83
    2-methyltetrahydrofuran 3378.53
    n-hexyl acetate 1597.16
    isooctane 159.17
    2-(2-butoxyethoxy)ethanol 824.45
    sec-butyl acetate 1310.07
    tert-butyl acetate 1889.63
    decalin 482.15
    glycerin 152.51
    diglyme 2074.6
    acrylic acid 542.53
    isopropyl myristate 666.55
    n-butyric acid 1480.94
    acetyl acetate 1504.33
    di(2-ethylhexyl) phthalate 374.06
    ethyl propionate 1609.85
    nitromethane 1791.27
    1,2-diethoxyethane 2015.84
    benzonitrile 1033.23
    trioctyl phosphate 341.95
    1-bromopropane 2345.5
    gamma-valerolactone 3880.08
    n-decanol 271.82
    triethyl phosphate 791.66
    4-methyl-2-pentanol 388.09
    propionitrile 1095.76
    vinylene carbonate 1587.45
    1,1,2-trichlorotrifluoroethane 1915.68
    DMS 978.4
    cumene 391.7
    2-octanol 363.27
    2-hexanone 1644.61
    octyl acetate 697.23
    limonene 1109.46
    1,2-dimethoxyethane 1835.29
    ethyl orthosilicate 802.01
    tributyl phosphate 479.14
    diacetone alcohol 1168.37
    N,N-dimethylaniline 620.28
    acrylonitrile 1053.03
    aniline 865.21
    1,3-propanediol 290.58
    bromobenzene 2040.92
    dibromomethane 3091.48
    1,1,2,2-tetrachloroethane 4599.52
    2-methyl-cyclohexyl acetate 1273.85
    tetrabutyl urea 636.15
    diisobutyl methanol 626.55
    2-phenylethanol 547.89
    styrene 772.93
    dioctyl adipate 907.72
    dimethyl sulfate 1000.8
    ethyl butyrate 2348.27
    methyl lactate 446.58
    butyl lactate 837.29
    diethyl carbonate 1202.82
    propanediol butyl ether 490.54
    triethyl orthoformate 1534.35
    p-tert-butyltoluene 527.89
    methyl 4-tert-butylbenzoate 881.98
    morpholine 2558.53
    tert-butylamine 705.23
    n-dodecanol 220.36
    dimethoxymethane 1423.58
    ethylene carbonate 1623.21
    cyrene 608.64
    2-ethoxyethyl acetate 1478.32
    2-ethylhexyl acetate 1737.82
    1,2,4-trichlorobenzene 1630.33
    4-methylpyridine 2063.28
    dibutyl ether 1770.08
    2,6-dimethyl-4-heptanol 626.55
    DEF 2116.98
    dimethyl isosorbide 1429.69
    tetrachloroethylene 3119.7
    eugenol 624.62
    triacetin 1364.43
    span 80 653.04
    1,4-butanediol 121.57
    1,1-dichloroethane 2919.07
    2-methyl-1-pentanol 416.41
    methyl formate 602.82
    2-methyl-1-butanol 554.48
    n-decane 246.69
    butyronitrile 1250.01
    3,7-dimethyl-1-octanol 487.19
    1-chlorooctane 775.34
    1-chlorotetradecane 256.93
    n-nonane 291.37
    undecane 146.95
    tert-butylcyclohexane 334.04
    cyclooctane 712.45
    cyclopentanol 1414.55
    tetrahydropyran 4186.65
    tert-amyl methyl ether 1108.01
    2,5,8-trioxanonane 1240.9
    1-hexene 1246.78
    2-isopropoxyethanol 518.15
    2,2,2-trifluoroethanol 262.74
    methyl butyrate 2145.26

    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