2-Nonenenitrile

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  • Identifiers

    CAS number
    29127-83-1

    Molecular formula
    C9H15N

    SMILES
    CCCCCC/C=C\C#N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 80.36%
    Fatty 59.46%
    Floral 52.24%
    Citrus 47.01%
    Aldehydic 45.35%
    Fresh 44.63%
    Waxy 43.13%
    Metallic 36.57%
    Cucumber 36.16%
    Fruity 35.17%

     

    Flavor
    Herbal 22.56%
    Oriental 20.47%
    Nitrile 20.31%
    Terpentine 19.84%
    Low 19.75%
    Diterpene 19.58%
    Delicate 19.01%
    Opoponax 18.68%
    Citric 18.58%
    Spicy 18.54%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.84 (neutral)

    Molecular weight
    137.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    210°C

    Flash point

    • 92.96 ˚C est.

  • Synonyms

    • 2-Nonenenitrile
    • AI3-28305
    • EINECS 249-458-5
    • (Z)-2-Nonenenitrile
    • 29127-83-1
    • DTXSID8067444
    • 40856-15-3
    • DTXCID1037937
    • SCHEMBL16207677
    • WOVJAWMZNOWDII-FPLPWBNLSA-N

  • Applications

    2-Nonenenitrile (CAS 29127-83-1) is primarily used as an organic synthesis intermediate in the production of specialty chemicals. It may serve as a building block for nitrile-containing polymers and other advanced materials, and as a reactive intermediate in coatings, inks, and adhesive formulations. The compound is also evaluated as a precursor in fragrance chemistry and other perfumery applications, and can appear in synthetic pathways for agrochemicals or pharmaceuticals, depending on regional regulations. Additionally, it may function as a processing solvent or diluent in certain industrial manufacturing steps, with use limited by safety and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3040.97
    methanol 3287.37
    isopropanol 2180.1
    water 0.18
    ethyl acetate 4064.28
    n-propanol 2319.92
    acetone 11290.69
    n-butanol 1844.61
    acetonitrile 3752.68
    DMF 6762.69
    toluene 1741.75
    isobutanol 1516.77
    1,4-dioxane 4916.99
    methyl acetate 3139.19
    THF 8818.63
    2-butanone 5276.89
    n-pentanol 1212.12
    sec-butanol 1573.34
    n-hexane 970.12
    ethylene glycol 503.52
    NMP 4962.25
    cyclohexane 1720.12
    DMSO 11310.43
    n-butyl acetate 3390.45
    n-octanol 547.97
    chloroform 6006.71
    n-propyl acetate 2260.03
    acetic acid 2498.2
    dichloromethane 6716.73
    cyclohexanone 6902.3
    propylene glycol 745.67
    isopropyl acetate 2092.77
    DMAc 3060.16
    2-ethoxyethanol 1420.66
    isopentanol 1235.22
    n-heptane 568.53
    ethyl formate 1744.85
    1,2-dichloroethane 5459.35
    n-hexanol 1790.47
    2-methoxyethanol 2842.34
    isobutyl acetate 1170.75
    tetrachloromethane 1317.39
    n-pentyl acetate 1345.61
    transcutol 5536.47
    n-heptanol 507.01
    ethylbenzene 585.0
    MIBK 1589.76
    2-propoxyethanol 2096.6
    tert-butanol 2244.44
    MTBE 2624.19
    2-butoxyethanol 889.97
    propionic acid 2196.21
    o-xylene 610.25
    formic acid 499.34
    diethyl ether 4265.1
    m-xylene 811.8
    p-xylene 784.92
    chlorobenzene 2255.33
    dimethyl carbonate 969.52
    n-octane 150.29
    formamide 981.36
    cyclopentanone 8468.62
    2-pentanone 4385.2
    anisole 1155.08
    cyclopentyl methyl ether 4165.77
    gamma-butyrolactone 6728.7
    1-methoxy-2-propanol 2144.03
    pyridine 5199.59
    3-pentanone 3233.57
    furfural 3348.8
    n-dodecane 75.22
    diethylene glycol 1175.68
    diisopropyl ether 1012.45
    tert-amyl alcohol 1427.81
    acetylacetone 4370.0
    n-hexadecane 92.26
    acetophenone 1024.69
    methyl propionate 3013.28
    isopentyl acetate 1995.81
    trichloroethylene 7684.7
    n-nonanol 447.06
    cyclohexanol 2102.82
    benzyl alcohol 743.01
    2-ethylhexanol 990.29
    isooctanol 399.45
    dipropyl ether 2277.32
    1,2-dichlorobenzene 1594.01
    ethyl lactate 544.68
    propylene carbonate 2521.22
    n-methylformamide 2932.77
    2-pentanol 1298.16
    n-pentane 690.66
    1-propoxy-2-propanol 1783.59
    1-methoxy-2-propyl acetate 1934.06
    2-(2-methoxypropoxy) propanol 682.49
    mesitylene 510.73
    ε-caprolactone 3606.58
    p-cymene 375.82
    epichlorohydrin 5389.65
    1,1,1-trichloroethane 4320.61
    2-aminoethanol 909.19
    morpholine-4-carbaldehyde 3082.0
    sulfolane 7769.16
    2,2,4-trimethylpentane 154.37
    2-methyltetrahydrofuran 5885.07
    n-hexyl acetate 1494.48
    isooctane 155.89
    2-(2-butoxyethoxy)ethanol 1059.52
    sec-butyl acetate 1190.08
    tert-butyl acetate 1984.34
    decalin 330.34
    glycerin 765.58
    diglyme 2553.03
    acrylic acid 1677.75
    isopropyl myristate 480.46
    n-butyric acid 2814.43
    acetyl acetate 2046.93
    di(2-ethylhexyl) phthalate 319.44
    ethyl propionate 1610.05
    nitromethane 5626.71
    1,2-diethoxyethane 2827.41
    benzonitrile 1464.56
    trioctyl phosphate 274.1
    1-bromopropane 3597.52
    gamma-valerolactone 5952.13
    n-decanol 318.42
    triethyl phosphate 477.65
    4-methyl-2-pentanol 555.24
    propionitrile 2727.31
    vinylene carbonate 1991.11
    1,1,2-trichlorotrifluoroethane 3016.22
    DMS 1168.66
    cumene 303.22
    2-octanol 374.49
    2-hexanone 2501.09
    octyl acetate 584.5
    limonene 801.59
    1,2-dimethoxyethane 2960.66
    ethyl orthosilicate 488.23
    tributyl phosphate 399.52
    diacetone alcohol 1591.79
    N,N-dimethylaniline 581.6
    acrylonitrile 2943.55
    aniline 1637.85
    1,3-propanediol 1283.74
    bromobenzene 2724.11
    dibromomethane 5036.49
    1,1,2,2-tetrachloroethane 5575.05
    2-methyl-cyclohexyl acetate 946.6
    tetrabutyl urea 532.48
    diisobutyl methanol 542.44
    2-phenylethanol 884.16
    styrene 992.29
    dioctyl adipate 630.21
    dimethyl sulfate 1601.28
    ethyl butyrate 1822.65
    methyl lactate 846.13
    butyl lactate 748.96
    diethyl carbonate 879.12
    propanediol butyl ether 806.19
    triethyl orthoformate 990.17
    p-tert-butyltoluene 375.25
    methyl 4-tert-butylbenzoate 630.01
    morpholine 5794.36
    tert-butylamine 1605.22
    n-dodecanol 244.65
    dimethoxymethane 3555.14
    ethylene carbonate 1866.07
    cyrene 599.12
    2-ethoxyethyl acetate 1671.03
    2-ethylhexyl acetate 1639.08
    1,2,4-trichlorobenzene 1726.59
    4-methylpyridine 3715.21
    dibutyl ether 1509.15
    2,6-dimethyl-4-heptanol 542.44
    DEF 3502.66
    dimethyl isosorbide 1326.64
    tetrachloroethylene 3900.7
    eugenol 599.28
    triacetin 1131.36
    span 80 734.28
    1,4-butanediol 467.27
    1,1-dichloroethane 5072.23
    2-methyl-1-pentanol 829.93
    methyl formate 1975.87
    2-methyl-1-butanol 1139.96
    n-decane 153.21
    butyronitrile 2732.83
    3,7-dimethyl-1-octanol 566.84
    1-chlorooctane 572.42
    1-chlorotetradecane 197.5
    n-nonane 182.11
    undecane 102.96
    tert-butylcyclohexane 259.0
    cyclooctane 449.22
    cyclopentanol 2629.58
    tetrahydropyran 7271.58
    tert-amyl methyl ether 1409.0
    2,5,8-trioxanonane 1365.35
    1-hexene 2176.96
    2-isopropoxyethanol 990.76
    2,2,2-trifluoroethanol 640.83
    methyl butyrate 2210.18

    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