Octanenitrile

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  • Identifiers

    CAS number
    124-12-9

    Molecular formula
    C8H15N

    SMILES
    CCCCCCCC#N

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 71.85%
    Fatty 67.22%
    Fresh 55.39%
    Citrus 53.29%
    Floral 52.09%
    Waxy 50.68%
    Aldehydic 46.36%
    Fruity 38.98%
    Oily 37.03%
    Orange 36.73%

     

    Flavor
    Skunky 19.63%
    Delicate 19.62%
    Slightly waxy 19.24%
    Glue 19.19%
    Nitrile 19.07%
    Terpentine 19.02%
    Bloody 18.75%
    Leathery 18.72%
    Thymol 18.64%
    Creosote 18.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.98 (neutral)

    Molecular weight
    125.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    202°C

    Flash point

    • 76.63 ˚C est.

  • Synonyms

    • Octanenitrile
    • 124-12-9
    • Caprylonitrile
    • OCTANONITRILE
    • Heptyl cyanide
    • Caprylnitrile
    • Arneel 8
    • 1-Cyanoheptane
    • n-Heptyl cyanide
    • NSC 5513
    • EINECS 204-682-2
    • UNII-D6646V87PY
    • BRN 1744063
    • Normal-heptyl cyanide
    • DTXSID1047655
    • AI3-33240
    • D6646V87PY
    • NSC-5513
    • DTXCID9027655
    • EC 204-682-2
    • 4-02-00-00993 (Beilstein Handbook Reference)
    • heptylcyanide
    • octane nitrile
    • 1Cyanoheptane
    • MFCD00001983
    • Heptyl cyanide, 97%
    • SCHEMBL441
    • CHEMBL3183772
    • NSC5513
    • AAA12412
    • Tox21_302546
    • AKOS009158784
    • NCGC00256895-01
    • CAS-124-12-9
    • NS00002805
    • O0221
    • Q2089283
    • 204-682-2

  • Applications

    Octanenitrile (CAS 124-12-9) is a useful industrial chemical precursor; in organic synthesis, it is used as a building block for nitrile-containing compounds and for amine derivatives after hydrogenation, with octylamine serving as a precursor for surfactants, rubber-processing additives, and other applications. It can also function as a nonpolar solvent or processing solvent for coating, ink, adhesive systems, and cleaning processes in industrial manufacturing. Additionally, octanenitrile serves as a feedstock for specialty polymers and plastics, and may be used as a precursor for pharmaceutical and agrochemical synthesis, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8007.42
    methanol 9255.53
    isopropanol 6321.13
    water 0.43
    ethyl acetate 8943.61
    n-propanol 6259.26
    acetone 24471.83
    n-butanol 5167.71
    acetonitrile 9880.33
    DMF 11527.55
    toluene 3322.64
    isobutanol 4129.5
    1,4-dioxane 9633.87
    methyl acetate 6253.92
    THF 17166.31
    2-butanone 10914.82
    n-pentanol 3019.23
    sec-butanol 4200.15
    n-hexane 2936.54
    ethylene glycol 1122.01
    NMP 8230.16
    cyclohexane 4556.48
    DMSO 18585.96
    n-butyl acetate 8464.01
    n-octanol 1518.12
    chloroform 12790.64
    n-propyl acetate 5343.24
    acetic acid 6059.62
    dichloromethane 12971.19
    cyclohexanone 16394.21
    propylene glycol 1528.02
    isopropyl acetate 4568.12
    DMAc 4537.42
    2-ethoxyethanol 2963.99
    isopentanol 3468.4
    n-heptane 1881.33
    ethyl formate 4735.3
    1,2-dichloroethane 9833.76
    n-hexanol 4684.57
    2-methoxyethanol 6030.61
    isobutyl acetate 2523.21
    tetrachloromethane 3469.49
    n-pentyl acetate 3434.05
    transcutol 10033.97
    n-heptanol 1365.17
    ethylbenzene 1353.73
    MIBK 3323.78
    2-propoxyethanol 4571.29
    tert-butanol 5805.43
    MTBE 5473.99
    2-butoxyethanol 2103.08
    propionic acid 5509.45
    o-xylene 1284.36
    formic acid 1253.75
    diethyl ether 9383.16
    m-xylene 1588.66
    p-xylene 1833.23
    chlorobenzene 4698.82
    dimethyl carbonate 1666.66
    n-octane 471.22
    formamide 2395.3
    cyclopentanone 17316.2
    2-pentanone 9506.18
    anisole 2260.91
    cyclopentyl methyl ether 8014.0
    gamma-butyrolactone 13834.48
    1-methoxy-2-propanol 4470.68
    pyridine 10091.36
    3-pentanone 6308.31
    furfural 7315.59
    n-dodecane 198.16
    diethylene glycol 2335.38
    diisopropyl ether 2268.56
    tert-amyl alcohol 3606.29
    acetylacetone 8468.47
    n-hexadecane 242.74
    acetophenone 2067.64
    methyl propionate 5800.84
    isopentyl acetate 4777.6
    trichloroethylene 14139.56
    n-nonanol 1187.85
    cyclohexanol 5828.45
    benzyl alcohol 1549.58
    2-ethylhexanol 2551.97
    isooctanol 1027.44
    dipropyl ether 5656.98
    1,2-dichlorobenzene 3375.69
    ethyl lactate 1133.23
    propylene carbonate 5611.79
    n-methylformamide 6697.74
    2-pentanol 3631.95
    n-pentane 1947.77
    1-propoxy-2-propanol 4199.0
    1-methoxy-2-propyl acetate 3990.91
    2-(2-methoxypropoxy) propanol 1254.6
    mesitylene 973.08
    ε-caprolactone 8580.84
    p-cymene 876.68
    epichlorohydrin 9676.65
    1,1,1-trichloroethane 9313.47
    2-aminoethanol 2165.46
    morpholine-4-carbaldehyde 5697.6
    sulfolane 14204.72
    2,2,4-trimethylpentane 368.97
    2-methyltetrahydrofuran 12477.55
    n-hexyl acetate 3756.42
    isooctane 351.28
    2-(2-butoxyethoxy)ethanol 2149.25
    sec-butyl acetate 2543.28
    tert-butyl acetate 3994.12
    decalin 793.49
    glycerin 1512.92
    diglyme 5057.78
    acrylic acid 4192.28
    isopropyl myristate 1106.32
    n-butyric acid 7689.67
    acetyl acetate 4357.2
    di(2-ethylhexyl) phthalate 674.14
    ethyl propionate 3603.08
    nitromethane 11980.81
    1,2-diethoxyethane 5687.64
    benzonitrile 3647.89
    trioctyl phosphate 624.24
    1-bromopropane 7365.72
    gamma-valerolactone 12481.64
    n-decanol 789.59
    triethyl phosphate 1035.95
    4-methyl-2-pentanol 1435.43
    propionitrile 7535.71
    vinylene carbonate 4582.53
    1,1,2-trichlorotrifluoroethane 5493.17
    DMS 2207.82
    cumene 662.81
    2-octanol 1111.51
    2-hexanone 5767.11
    octyl acetate 1339.83
    limonene 1991.75
    1,2-dimethoxyethane 6136.36
    ethyl orthosilicate 1074.04
    tributyl phosphate 903.22
    diacetone alcohol 3121.42
    N,N-dimethylaniline 1119.96
    acrylonitrile 7802.32
    aniline 3339.82
    1,3-propanediol 3123.12
    bromobenzene 5587.62
    dibromomethane 10102.52
    1,1,2,2-tetrachloroethane 10593.09
    2-methyl-cyclohexyl acetate 2042.39
    tetrabutyl urea 1189.32
    diisobutyl methanol 1378.92
    2-phenylethanol 1875.64
    styrene 2173.95
    dioctyl adipate 1397.92
    dimethyl sulfate 2543.87
    ethyl butyrate 4616.89
    methyl lactate 1559.87
    butyl lactate 1820.36
    diethyl carbonate 2043.93
    propanediol butyl ether 1875.03
    triethyl orthoformate 2255.81
    p-tert-butyltoluene 857.98
    methyl 4-tert-butylbenzoate 1297.09
    morpholine 11177.19
    tert-butylamine 4280.94
    n-dodecanol 581.29
    dimethoxymethane 5836.11
    ethylene carbonate 4702.35
    cyrene 1045.95
    2-ethoxyethyl acetate 3377.7
    2-ethylhexyl acetate 3868.89
    1,2,4-trichlorobenzene 3260.18
    4-methylpyridine 7771.78
    dibutyl ether 3980.26
    2,6-dimethyl-4-heptanol 1378.92
    DEF 7012.99
    dimethyl isosorbide 2436.1
    tetrachloroethylene 7993.15
    eugenol 1196.39
    triacetin 2297.28
    span 80 1559.97
    1,4-butanediol 1079.07
    1,1-dichloroethane 10464.68
    2-methyl-1-pentanol 1938.34
    methyl formate 4393.22
    2-methyl-1-butanol 3075.59
    n-decane 457.57
    butyronitrile 8009.78
    3,7-dimethyl-1-octanol 1396.54
    1-chlorooctane 1510.61
    1-chlorotetradecane 447.66
    n-nonane 578.26
    undecane 284.92
    tert-butylcyclohexane 629.53
    cyclooctane 1118.68
    cyclopentanol 6826.58
    tetrahydropyran 16103.15
    tert-amyl methyl ether 3013.95
    2,5,8-trioxanonane 2519.67
    1-hexene 5959.69
    2-isopropoxyethanol 1934.29
    2,2,2-trifluoroethanol 1481.13
    methyl butyrate 5441.8

    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