(Z)-9-Octadecenenitrile

Overview IFRA Request a quote

  • Identifiers

    CAS number
    112-91-4

    Molecular formula
    C18H33N

    SMILES
    CCCCCCCC/C=C\CCCCCCCC#N

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Waxy 53.55%
    Fatty 50.89%
    Citrus 49.24%
    Fresh 48.22%
    Fruity 38.25%
    Oily 36.87%
    Green 34.71%
    Meaty 33.77%
    Aldehydic 31.64%
    Metallic 31.04%

     

    Flavor
    Faint 21.2%
    Bland 19.82%
    Delicate 19.52%
    Slightly waxy 19.14%
    Diterpene 18.45%
    Oriental 18.38%
    Low 18.33%
    Terpentine 17.81%
    Skunky 17.67%
    Nitrile 17.4%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.1

    pKa est.
    6.9 (neutral)

    Molecular weight
    263.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    353°C

    Melting point expt.

    • -1 °C

    Flash point

    • 168.04 ˚C est.

    Solubility expt.

    • INSOLUBLE IN WATER; SOLUBLE IN ALCOHOL

  • Synonyms

    • Oleonitrile
    • (Z)-octadec-9-enenitrile
    • 112-91-4
    • Oleoylnitrile
    • Oleylonitrile
    • Oleic acid nitrile
    • Oleic nitrile
    • 9-Octadecenenitrile, (9Z)-
    • Oleyl nitrile
    • (Z)-9-OCTADECENENITRILE
    • 9-Octadecenenitrile, (Z)-
    • Olsaeurenitril
    • (9Z)-octadec-9-enenitrile
    • Olsaeurenitril [German]
    • HSDB 5580
    • EINECS 204-016-0
    • BRN 1102081
    • 9-Octadecenoic acid (cis), nitrile (cis)
    • cis-9-octadecenenitrile
    • 59F4912BUE
    • DTXSID3026934
    • CHEBI:133637
    • EC 204-016-0
    • 4-02-00-01668 (Beilstein Handbook Reference)
    • (Z)-9-OCTADECENENITRILE [HSDB]
    • (Z)9Octadecenenitrile
    • RefChem:408679
    • 9Octadecenenitrile, (Z)
    • DTXCID906934
    • 9Octadecenoic acid (cis), nitrile (cis)
    • 9-OCTADECENOIC ACID(CIS), NITRILE(CIS)
    • 204-016-0
    • Oleanitrile
    • olenitrile
    • UNII-59F4912BUE
    • C18H33N
    • cis-octadec-9-enenitrile
    • SCHEMBL1958159
    • MFCD01711190
    • DB-255881
    • NS00009749
    • 9-Octadecenenitrile (1mg/mL in Acetonitrile)
    • 9-Octadecenenitrile (1 mg/mL in Acetonitrile)
    • Q27261698
    • 112-91-4

  • Applications

    (Z)-9-Octadecenenitrile, CAS 112-91-4, is a long-chain nitrile commonly used as an organic synthesis intermediate. It is typically transformed into long-chain amines, amides, or esters via reactions on the nitrile group or subsequent functionalization, providing building blocks for surfactants and detergents, lubricant additives, and specialty polymers. It also serves as a chain-extended precursor in coatings and inks, adhesives, and related industrial formulations, where its hydrophobic hydrocarbon tail supports compatibility and performance. As a versatile long-chain building block, it is evaluated for use in polymer and materials chemistry workflows, with actual applications governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 374.96
    methanol 283.28
    isopropanol 465.03
    water 0.02
    ethyl acetate 1885.22
    n-propanol 479.53
    acetone 2374.01
    n-butanol 514.85
    acetonitrile 660.48
    DMF 1619.63
    toluene 817.52
    isobutanol 421.29
    1,4-dioxane 2056.25
    methyl acetate 1099.26
    THF 4233.24
    2-butanone 1627.81
    n-pentanol 378.58
    sec-butanol 464.72
    n-hexane 533.38
    ethylene glycol 28.86
    NMP 1933.09
    cyclohexane 2026.37
    DMSO 2518.11
    n-butyl acetate 1829.7
    n-octanol 327.55
    chloroform 3091.52
    n-propyl acetate 1480.92
    acetic acid 449.56
    dichloromethane 3125.26
    cyclohexanone 3632.67
    propylene glycol 79.84
    isopropyl acetate 1415.36
    DMAc 1511.45
    2-ethoxyethanol 523.24
    isopentanol 544.43
    n-heptane 658.16
    ethyl formate 658.59
    1,2-dichloroethane 2599.39
    n-hexanol 523.65
    2-methoxyethanol 649.35
    isobutyl acetate 927.74
    tetrachloromethane 881.4
    n-pentyl acetate 1341.2
    transcutol 2635.42
    n-heptanol 304.59
    ethylbenzene 446.3
    MIBK 1124.74
    2-propoxyethanol 739.48
    tert-butanol 691.8
    MTBE 1314.65
    2-butoxyethanol 549.54
    propionic acid 455.37
    o-xylene 508.03
    formic acid 52.58
    diethyl ether 1850.18
    m-xylene 522.51
    p-xylene 588.15
    chlorobenzene 1109.07
    dimethyl carbonate 403.7
    n-octane 166.84
    formamide 136.2
    cyclopentanone 3418.48
    2-pentanone 1949.17
    anisole 735.1
    cyclopentyl methyl ether 2392.67
    gamma-butyrolactone 2722.2
    1-methoxy-2-propanol 670.5
    pyridine 1791.32
    3-pentanone 1500.44
    furfural 1517.71
    n-dodecane 69.23
    diethylene glycol 271.53
    diisopropyl ether 763.99
    tert-amyl alcohol 567.54
    acetylacetone 2025.42
    n-hexadecane 87.55
    acetophenone 764.26
    methyl propionate 1208.72
    isopentyl acetate 1433.21
    trichloroethylene 3621.03
    n-nonanol 312.59
    cyclohexanol 994.19
    benzyl alcohol 373.95
    2-ethylhexanol 571.61
    isooctanol 325.59
    dipropyl ether 2036.56
    1,2-dichlorobenzene 1124.94
    ethyl lactate 358.84
    propylene carbonate 1366.5
    n-methylformamide 455.51
    2-pentanol 531.15
    n-pentane 385.98
    1-propoxy-2-propanol 871.83
    1-methoxy-2-propyl acetate 1258.46
    2-(2-methoxypropoxy) propanol 480.22
    mesitylene 425.91
    ε-caprolactone 2116.52
    p-cymene 388.65
    epichlorohydrin 2456.37
    1,1,1-trichloroethane 2726.14
    2-aminoethanol 103.73
    morpholine-4-carbaldehyde 1366.69
    sulfolane 3481.02
    2,2,4-trimethylpentane 152.13
    2-methyltetrahydrofuran 2781.09
    n-hexyl acetate 1266.75
    isooctane 131.73
    2-(2-butoxyethoxy)ethanol 715.99
    sec-butyl acetate 1023.01
    tert-butyl acetate 1610.07
    decalin 350.25
    glycerin 106.06
    diglyme 1800.01
    acrylic acid 309.22
    isopropyl myristate 479.74
    n-butyric acid 1044.31
    acetyl acetate 1204.15
    di(2-ethylhexyl) phthalate 286.73
    ethyl propionate 1244.98
    nitromethane 1217.78
    1,2-diethoxyethane 1806.25
    benzonitrile 679.13
    trioctyl phosphate 248.98
    1-bromopropane 1917.85
    gamma-valerolactone 2672.8
    n-decanol 216.53
    triethyl phosphate 560.24
    4-methyl-2-pentanol 335.81
    propionitrile 698.12
    vinylene carbonate 1016.58
    1,1,2-trichlorotrifluoroethane 1357.08
    DMS 759.49
    cumene 300.06
    2-octanol 273.84
    2-hexanone 1301.98
    octyl acetate 528.93
    limonene 801.89
    1,2-dimethoxyethane 1505.47
    ethyl orthosilicate 588.72
    tributyl phosphate 348.02
    diacetone alcohol 950.44
    N,N-dimethylaniline 495.2
    acrylonitrile 583.86
    aniline 597.54
    1,3-propanediol 213.03
    bromobenzene 1437.21
    dibromomethane 2317.11
    1,1,2,2-tetrachloroethane 3354.49
    2-methyl-cyclohexyl acetate 950.84
    tetrabutyl urea 480.85
    diisobutyl methanol 466.5
    2-phenylethanol 413.97
    styrene 570.34
    dioctyl adipate 676.67
    dimethyl sulfate 732.7
    ethyl butyrate 1653.2
    methyl lactate 327.2
    butyl lactate 628.27
    diethyl carbonate 820.97
    propanediol butyl ether 399.23
    triethyl orthoformate 1106.45
    p-tert-butyltoluene 357.6
    methyl 4-tert-butylbenzoate 671.26
    morpholine 2150.11
    tert-butylamine 565.13
    n-dodecanol 170.23
    dimethoxymethane 1239.53
    ethylene carbonate 1062.68
    cyrene 476.36
    2-ethoxyethyl acetate 1288.86
    2-ethylhexyl acetate 1295.27
    1,2,4-trichlorobenzene 1152.45
    4-methylpyridine 1477.89
    dibutyl ether 1328.29
    2,6-dimethyl-4-heptanol 466.5
    DEF 1671.76
    dimethyl isosorbide 1120.36
    tetrachloroethylene 2230.25
    eugenol 472.03
    triacetin 1118.0
    span 80 512.51
    1,4-butanediol 94.18
    1,1-dichloroethane 2223.66
    2-methyl-1-pentanol 358.34
    methyl formate 370.88
    2-methyl-1-butanol 445.56
    n-decane 166.1
    butyronitrile 884.32
    3,7-dimethyl-1-octanol 379.68
    1-chlorooctane 557.98
    1-chlorotetradecane 180.99
    n-nonane 189.85
    undecane 98.55
    tert-butylcyclohexane 241.38
    cyclooctane 524.59
    cyclopentanol 934.03
    tetrahydropyran 3642.89
    tert-amyl methyl ether 947.86
    2,5,8-trioxanonane 1041.18
    1-hexene 894.12
    2-isopropoxyethanol 476.66
    2,2,2-trifluoroethanol 161.27
    methyl butyrate 1626.99

    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