Octadecanenitrile

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  • Identifiers

    CAS number
    638-65-3

    Molecular formula
    C18H35N

    SMILES
    CCCCCCCCCCCCCCCCCC#N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 59.64%
    Fatty 52.14%
    Fresh 44.98%
    Citrus 42.58%
    Oily 36.55%
    Meaty 34.99%
    Green 29.37%
    Fruit skin 28.2%
    Metallic 28.07%
    Clean 26.98%

     

    Flavor
    Bland 27.08%
    Alkane 26.56%
    Waxy 26.51%
    Mild 21.41%
    Faint 21.19%
    Slightly waxy 21.16%
    Delicate 20.9%
    Diterpene 19.0%
    Low 18.94%
    Oriental 18.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.0

    pKa est.
    7.2 (neutral)

    Molecular weight
    265.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 41 °C

    Boiling point

    • 362 °C @ 760 MM HG

    Flash point

    • 165.75 ˚C est.

    Solubility expt.

    • INSOL IN WATER; SOL IN ALCOHOL; VERY SOL IN ETHER, ACETONE & CHLOROFORM

  • Synonyms

    • Stearonitrile
    • Octadecanenitrile
    • 638-65-3
    • OCTADECANONITRILE
    • Heptadecyl cyanide
    • 1-Cyanoheptadecane
    • Oktadekannitril
    • Nitril kyseliny stearove
    • Stearinsaeurenitril
    • Octadecanoic acid, nitrile
    • QXY19Q5N5I
    • DTXSID4027280
    • NSC-5541
    • DTXCID507280
    • CHEBI:133638
    • RefChem:167602
    • 211-345-3
    • MFCD00001947
    • Oktadekannitril [Czech]
    • Stearinsaeurenitril [German]
    • HSDB 5735
    • Nitril kyseliny stearove [Czech]
    • C18H35N
    • NSC 5541
    • EINECS 211-345-3
    • UNII-QXY19Q5N5I
    • BRN 0972464
    • AI3-14660
    • Nitril kyseliny stearove [Czech]
    • N-OCTADECANONITRILE
    • WLN: NC17
    • SCHEMBL345850
    • orb1705664
    • SCHEMBL4756739
    • SCHEMBL4756743
    • CHEMBL1871991
    • NSC5541
    • Tox21_202559
    • AKOS028108374
    • Stearonitrile, technical grade, >=90%
    • NCGC00164046-01
    • NCGC00260108-01
    • AS-87671
    • CAS-638-65-3
    • SY051494
    • DB-256130
    • HY-127052
    • NS00022608
    • D92228
    • Q27287554
    • 638-65-3

  • Applications

    Octadecanenitrile (CAS 638-65-3) is a long-chain nitrile primarily used as an industrial chemical intermediate. It is commonly hydrogenated to form octadecylamine, which provides the basis for long-chain surfactants and amide derivatives used in detergents, personal care products, and coatings. The nitrile can be hydrolyzed to the corresponding fatty acid (stearic acid) and related derivatives, supporting applications in lubricants, plastics additives, and cosmetic ingredients. It can also serve as a building block for polymers and specialty plasticizers or processing aids, particularly where a hydrophobic tail or nitrile-derived functionality is desired. In downstream chemistry, long-chain amines and surfactants derived from octadecanenitrile may be employed in cleaning formulations and industrial coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 103.09
    methanol 85.58
    isopropanol 145.61
    water 0.03
    ethyl acetate 1079.64
    n-propanol 168.74
    acetone 926.56
    n-butanol 194.76
    acetonitrile 314.17
    DMF 1142.05
    toluene 469.82
    isobutanol 174.57
    1,4-dioxane 1109.16
    methyl acetate 648.58
    THF 2617.57
    2-butanone 836.67
    n-pentanol 149.07
    sec-butanol 180.44
    n-hexane 229.24
    ethylene glycol 14.89
    NMP 1875.1
    cyclohexane 1163.74
    DMSO 1244.74
    n-butyl acetate 1259.7
    n-octanol 208.77
    chloroform 2355.47
    n-propyl acetate 972.05
    acetic acid 252.08
    dichloromethane 2293.66
    cyclohexanone 2494.56
    propylene glycol 37.47
    isopropyl acetate 933.18
    DMAc 1100.38
    2-ethoxyethanol 255.27
    isopentanol 238.95
    n-heptane 433.23
    ethyl formate 422.36
    1,2-dichloroethane 1762.53
    n-hexanol 232.98
    2-methoxyethanol 312.18
    isobutyl acetate 690.44
    tetrachloromethane 736.44
    n-pentyl acetate 1052.0
    transcutol 1350.7
    n-heptanol 183.67
    ethylbenzene 301.13
    MIBK 722.93
    2-propoxyethanol 389.83
    tert-butanol 286.6
    MTBE 595.31
    2-butoxyethanol 378.96
    propionic acid 312.0
    o-xylene 362.31
    formic acid 35.79
    diethyl ether 690.03
    m-xylene 344.36
    p-xylene 450.79
    chlorobenzene 828.1
    dimethyl carbonate 311.57
    n-octane 117.93
    formamide 93.15
    cyclopentanone 2855.83
    2-pentanone 991.11
    anisole 542.05
    cyclopentyl methyl ether 1540.16
    gamma-butyrolactone 2612.03
    1-methoxy-2-propanol 355.64
    pyridine 1187.75
    3-pentanone 921.56
    furfural 1480.36
    n-dodecane 51.82
    diethylene glycol 145.34
    diisopropyl ether 416.38
    tert-amyl alcohol 281.63
    acetylacetone 1352.43
    n-hexadecane 66.77
    acetophenone 634.18
    methyl propionate 742.63
    isopentyl acetate 1047.08
    trichloroethylene 2805.53
    n-nonanol 210.26
    cyclohexanol 560.66
    benzyl alcohol 259.52
    2-ethylhexanol 340.57
    isooctanol 207.49
    dipropyl ether 1244.55
    1,2-dichlorobenzene 991.41
    ethyl lactate 283.29
    propylene carbonate 1326.81
    n-methylformamide 308.56
    2-pentanol 207.35
    n-pentane 153.99
    1-propoxy-2-propanol 524.49
    1-methoxy-2-propyl acetate 940.8
    2-(2-methoxypropoxy) propanol 352.68
    mesitylene 311.65
    ε-caprolactone 1648.06
    p-cymene 336.07
    epichlorohydrin 1833.32
    1,1,1-trichloroethane 2145.61
    2-aminoethanol 50.38
    morpholine-4-carbaldehyde 1128.43
    sulfolane 3569.67
    2,2,4-trimethylpentane 89.23
    2-methyltetrahydrofuran 1675.7
    n-hexyl acetate 912.05
    isooctane 72.39
    2-(2-butoxyethoxy)ethanol 479.78
    sec-butyl acetate 739.09
    tert-butyl acetate 1124.87
    decalin 248.44
    glycerin 63.64
    diglyme 1342.16
    acrylic acid 235.2
    isopropyl myristate 408.96
    n-butyric acid 654.48
    acetyl acetate 843.09
    di(2-ethylhexyl) phthalate 241.69
    ethyl propionate 875.06
    nitromethane 803.96
    1,2-diethoxyethane 1088.17
    benzonitrile 523.98
    trioctyl phosphate 216.43
    1-bromopropane 1063.65
    gamma-valerolactone 2185.95
    n-decanol 145.59
    triethyl phosphate 553.06
    4-methyl-2-pentanol 163.17
    propionitrile 381.41
    vinylene carbonate 962.21
    1,1,2-trichlorotrifluoroethane 1119.07
    DMS 637.74
    cumene 229.7
    2-octanol 183.89
    2-hexanone 785.29
    octyl acetate 426.5
    limonene 656.29
    1,2-dimethoxyethane 945.78
    ethyl orthosilicate 535.38
    tributyl phosphate 305.36
    diacetone alcohol 665.1
    N,N-dimethylaniline 392.62
    acrylonitrile 383.95
    aniline 402.22
    1,3-propanediol 99.95
    bromobenzene 1102.68
    dibromomethane 1596.78
    1,1,2,2-tetrachloroethane 2718.28
    2-methyl-cyclohexyl acetate 827.54
    tetrabutyl urea 411.79
    diisobutyl methanol 313.88
    2-phenylethanol 293.04
    styrene 383.07
    dioctyl adipate 594.43
    dimethyl sulfate 663.6
    ethyl butyrate 1334.22
    methyl lactate 249.25
    butyl lactate 526.58
    diethyl carbonate 711.65
    propanediol butyl ether 258.0
    triethyl orthoformate 954.66
    p-tert-butyltoluene 314.22
    methyl 4-tert-butylbenzoate 649.27
    morpholine 1170.39
    tert-butylamine 245.9
    n-dodecanol 114.87
    dimethoxymethane 689.5
    ethylene carbonate 979.84
    cyrene 426.15
    2-ethoxyethyl acetate 912.06
    2-ethylhexyl acetate 968.49
    1,2,4-trichlorobenzene 1032.27
    4-methylpyridine 968.26
    dibutyl ether 900.55
    2,6-dimethyl-4-heptanol 313.88
    DEF 1080.01
    dimethyl isosorbide 1038.19
    tetrachloroethylene 1778.26
    eugenol 425.51
    triacetin 977.04
    span 80 387.82
    1,4-butanediol 49.02
    1,1-dichloroethane 1434.76
    2-methyl-1-pentanol 170.93
    methyl formate 280.55
    2-methyl-1-butanol 207.15
    n-decane 124.29
    butyronitrile 458.18
    3,7-dimethyl-1-octanol 258.84
    1-chlorooctane 420.08
    1-chlorotetradecane 142.05
    n-nonane 134.69
    undecane 73.62
    tert-butylcyclohexane 171.12
    cyclooctane 321.98
    cyclopentanol 591.05
    tetrahydropyran 1842.78
    tert-amyl methyl ether 536.74
    2,5,8-trioxanonane 820.18
    1-hexene 369.06
    2-isopropoxyethanol 253.73
    2,2,2-trifluoroethanol 141.12
    methyl butyrate 1157.9

    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