Decanenitrile

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  • Identifiers

    CAS number
    1975-78-6

    Molecular formula
    C10H19N

    SMILES
    CCCCCCCCCC#N

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Citrus 62.85%
    Fatty 61.44%
    Fresh 60.53%
    Green 57.28%
    Waxy 54.81%
    Floral 48.55%
    Aldehydic 47.8%
    Orange 43.34%
    Fruity 40.67%
    Metallic 37.49%

     

    Flavor
    Bland 20.54%
    Delicate 20.37%
    Slightly waxy 20.08%
    Skunky 19.48%
    Terpentine 19.04%
    Diterpene 19.0%
    Low 18.94%
    Glue 18.89%
    Nitrile 18.86%
    Leathery 18.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.72 (neutral)

    Molecular weight
    153.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • Boiling point equals 241°C

    Flash point

    • 99.13 ˚C est.

  • Synonyms

    • DECANENITRILE
    • Decanonitrile
    • 1975-78-6
    • Caprinitrile
    • 1-Cyanononane
    • n-Decanenitrile
    • Nonyl cyanide
    • n-Nonyl cyanide
    • NSC 6085
    • MFCD00039505
    • 1602VQ5IVC
    • DTXSID9027449
    • NSC-6085
    • EINECS 217-830-6
    • AI3-11101
    • DTXCID307449
    • EC 217-830-6
    • UNII-1602VQ5IVC
    • decane nitrile
    • 1Cyanononane
    • 1-Decanenitrile
    • Nitrile 10 D
    • SCHEMBL663052
    • CHEMBL3185975
    • NSC6085
    • Tox21_200860
    • AKOS009156808
    • NCGC00248853-01
    • NCGC00258414-01
    • LS-13879
    • SY048852
    • CAS-1975-78-6
    • DB-044959
    • CS-0199356
    • D2426
    • NS00012192
    • E78018
    • EN300-7500553
    • Q27251754
    • 217-830-6

  • Applications

    Decanenitrile (CAS 1975-78-6) is primarily used as an intermediate in industrial organic synthesis and can serve as a nonpolar solvent for coating and ink formulation and for industrial cleaning processes; it is also employed as a precursor for the synthesis of specialty chemicals in the polymers/plastics sector and in fine chemicals and pharmaceuticals; in pharmaceuticals and chemical manufacturing, it is commonly evaluated as a synthetic building block for various reaction routes; practical use depends on formulation and local regulations, with typical domains including industrial synthesis, coatings/inks, cleaning, polymers/plastics, and pharmaceuticals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6686.4
    methanol 6368.66
    isopropanol 5965.4
    water 0.13
    ethyl acetate 9639.82
    n-propanol 5672.86
    acetone 21903.19
    n-butanol 4769.78
    acetonitrile 8987.43
    DMF 10096.15
    toluene 3430.71
    isobutanol 4014.51
    1,4-dioxane 10245.7
    methyl acetate 6285.29
    THF 17491.44
    2-butanone 10829.58
    n-pentanol 3042.34
    sec-butanol 4265.27
    n-hexane 4261.05
    ethylene glycol 626.89
    NMP 6636.05
    cyclohexane 6747.32
    DMSO 14550.22
    n-butyl acetate 8490.21
    n-octanol 1510.07
    chloroform 12825.98
    n-propyl acetate 5909.64
    acetic acid 4308.97
    dichloromethane 13129.52
    cyclohexanone 16992.78
    propylene glycol 1054.03
    isopropyl acetate 5224.19
    DMAc 4530.65
    2-ethoxyethanol 2863.82
    isopentanol 3550.4
    n-heptane 2837.28
    ethyl formate 4377.2
    1,2-dichloroethane 10309.65
    n-hexanol 4500.29
    2-methoxyethanol 5234.49
    isobutyl acetate 2859.95
    tetrachloromethane 3364.64
    n-pentyl acetate 3867.54
    transcutol 9070.75
    n-heptanol 1418.65
    ethylbenzene 1495.2
    MIBK 3825.42
    2-propoxyethanol 4416.12
    tert-butanol 5718.28
    MTBE 6398.98
    2-butoxyethanol 2103.7
    propionic acid 4301.71
    o-xylene 1357.69
    formic acid 654.96
    diethyl ether 11610.79
    m-xylene 1652.43
    p-xylene 2029.14
    chlorobenzene 4474.91
    dimethyl carbonate 1491.33
    n-octane 683.88
    formamide 1398.37
    cyclopentanone 15619.86
    2-pentanone 10159.17
    anisole 2330.91
    cyclopentyl methyl ether 8677.31
    gamma-butyrolactone 12345.8
    1-methoxy-2-propanol 4252.43
    pyridine 9932.13
    3-pentanone 6777.09
    furfural 6435.01
    n-dodecane 248.46
    diethylene glycol 1935.84
    diisopropyl ether 3001.07
    tert-amyl alcohol 3635.6
    acetylacetone 8157.44
    n-hexadecane 309.09
    acetophenone 2129.58
    methyl propionate 5718.53
    isopentyl acetate 5115.76
    trichloroethylene 13215.47
    n-nonanol 1229.67
    cyclohexanol 5864.13
    benzyl alcohol 1473.24
    2-ethylhexanol 2812.94
    isooctanol 1116.24
    dipropyl ether 7702.6
    1,2-dichlorobenzene 3345.01
    ethyl lactate 1154.91
    propylene carbonate 5163.83
    n-methylformamide 5041.3
    2-pentanol 3833.35
    n-pentane 2648.61
    1-propoxy-2-propanol 4309.45
    1-methoxy-2-propyl acetate 4011.86
    2-(2-methoxypropoxy) propanol 1228.94
    mesitylene 1066.51
    ε-caprolactone 8386.42
    p-cymene 972.57
    epichlorohydrin 9446.75
    1,1,1-trichloroethane 9713.67
    2-aminoethanol 1491.29
    morpholine-4-carbaldehyde 5214.91
    sulfolane 11366.83
    2,2,4-trimethylpentane 462.8
    2-methyltetrahydrofuran 12823.29
    n-hexyl acetate 3922.63
    isooctane 459.85
    2-(2-butoxyethoxy)ethanol 2084.57
    sec-butyl acetate 3049.76
    tert-butyl acetate 4528.46
    decalin 1040.23
    glycerin 1038.96
    diglyme 5105.11
    acrylic acid 2990.04
    isopropyl myristate 1245.61
    n-butyric acid 7129.43
    acetyl acetate 4513.61
    di(2-ethylhexyl) phthalate 682.09
    ethyl propionate 4090.82
    nitromethane 9521.84
    1,2-diethoxyethane 6184.6
    benzonitrile 3361.06
    trioctyl phosphate 643.28
    1-bromopropane 8940.45
    gamma-valerolactone 11874.91
    n-decanol 817.17
    triethyl phosphate 1202.15
    4-methyl-2-pentanol 1557.59
    propionitrile 7380.57
    vinylene carbonate 4183.14
    1,1,2-trichlorotrifluoroethane 5049.68
    DMS 2109.85
    cumene 760.53
    2-octanol 1157.8
    2-hexanone 6220.12
    octyl acetate 1413.31
    limonene 2271.52
    1,2-dimethoxyethane 6805.12
    ethyl orthosilicate 1264.99
    tributyl phosphate 925.48
    diacetone alcohol 3197.51
    N,N-dimethylaniline 1195.46
    acrylonitrile 6788.64
    aniline 3000.01
    1,3-propanediol 2419.65
    bromobenzene 5447.94
    dibromomethane 10737.17
    1,1,2,2-tetrachloroethane 10691.2
    2-methyl-cyclohexyl acetate 2284.96
    tetrabutyl urea 1214.46
    diisobutyl methanol 1645.83
    2-phenylethanol 1743.75
    styrene 2316.07
    dioctyl adipate 1568.74
    dimethyl sulfate 2273.02
    ethyl butyrate 5386.38
    methyl lactate 1382.65
    butyl lactate 1899.98
    diethyl carbonate 2350.81
    propanediol butyl ether 1629.05
    triethyl orthoformate 2804.5
    p-tert-butyltoluene 946.02
    methyl 4-tert-butylbenzoate 1350.82
    morpholine 11548.09
    tert-butylamine 4407.68
    n-dodecanol 607.91
    dimethoxymethane 5800.3
    ethylene carbonate 4377.61
    cyrene 1023.5
    2-ethoxyethyl acetate 3527.14
    2-ethylhexyl acetate 4170.4
    1,2,4-trichlorobenzene 3117.3
    4-methylpyridine 7429.56
    dibutyl ether 4897.11
    2,6-dimethyl-4-heptanol 1645.83
    DEF 7423.18
    dimethyl isosorbide 2411.51
    tetrachloroethylene 7860.93
    eugenol 1138.94
    triacetin 2367.1
    span 80 1502.18
    1,4-butanediol 861.39
    1,1-dichloroethane 10806.82
    2-methyl-1-pentanol 2019.63
    methyl formate 3246.96
    2-methyl-1-butanol 3055.39
    n-decane 607.86
    butyronitrile 8006.79
    3,7-dimethyl-1-octanol 1446.37
    1-chlorooctane 1805.51
    1-chlorotetradecane 532.48
    n-nonane 783.24
    undecane 358.27
    tert-butylcyclohexane 785.01
    cyclooctane 1626.16
    cyclopentanol 6439.3
    tetrahydropyran 17881.01
    tert-amyl methyl ether 3526.75
    2,5,8-trioxanonane 2550.48
    1-hexene 7571.48
    2-isopropoxyethanol 2032.7
    2,2,2-trifluoroethanol 1087.49
    methyl butyrate 6140.16

    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