2,6-Nonadienenitrile

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  • Identifiers

    CAS number
    67019-89-0

    Molecular formula
    C9H13N

    SMILES
    CCC=CCCC=CC#N

    Safety labels

  • Odor profile

    Fragrance
    Green 85.59%
    Floral 60.08%
    Leafy 44.21%
    Fatty 43.67%
    Aldehydic 38.7%
    Cucumber 37.96%
    Citrus 36.37%
    Fresh 36.21%
    Melon 36.06%
    Violet 36.0%

     

    Flavor
    Oriental 20.95%
    Nitrile 20.35%
    Pumpkin 18.88%
    Diterpene 18.81%
    Terpentine 18.8%
    Low 18.75%
    Citric 18.05%
    Opoponax 18.04%
    Bloody 18.04%
    Delicate 17.91%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.6 (neutral)

    Molecular weight
    135.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    199°C

    Flash point

    • 98.61 ˚C est.

  • Synonyms

    • 2,6-Nonadienenitrile
    • 67019-89-0
    • violet nitrile
    • DTXSID1070482
    • EINECS 266-545-3
    • DTXCID6044858
    • DSOXXQLCMAEPEZ-UHFFFAOYSA-N
    • Vionil

  • Applications

    2,6-Nonadienenitrile (CAS 67019-89-0) is primarily used as an intermediate in organic synthesis for fine chemicals, including pharmaceutical and agrochemical active ingredients; it serves as a building block or monomer for specialty polymers and coatings that incorporate nitrile functionality; it can act as a precursor for nitrile-containing resins and adhesives, contributing to crosslinking and performance in formulated materials; it may be employed as a reactive solvent or processing aid in polymer manufacturing under controlled conditions; its use is generally subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 882.29
    methanol 1014.19
    isopropanol 638.0
    water 0.19
    ethyl acetate 1521.13
    n-propanol 691.57
    acetone 3773.17
    n-butanol 561.89
    acetonitrile 1413.78
    DMF 3239.36
    toluene 755.97
    isobutanol 460.91
    1,4-dioxane 2056.67
    methyl acetate 1331.96
    THF 3232.61
    2-butanone 1958.21
    n-pentanol 419.18
    sec-butanol 477.14
    n-hexane 376.09
    ethylene glycol 205.84
    NMP 2494.76
    cyclohexane 694.35
    DMSO 4656.05
    n-butyl acetate 1215.76
    n-octanol 231.44
    chloroform 2915.92
    n-propyl acetate 905.9
    acetic acid 991.33
    dichloromethane 3042.95
    cyclohexanone 2681.35
    propylene glycol 281.52
    isopropyl acetate 754.24
    DMAc 1619.89
    2-ethoxyethanol 547.98
    isopentanol 384.44
    n-heptane 237.52
    ethyl formate 653.38
    1,2-dichloroethane 2305.07
    n-hexanol 620.18
    2-methoxyethanol 993.12
    isobutyl acetate 488.16
    tetrachloromethane 543.34
    n-pentyl acetate 520.83
    transcutol 2312.66
    n-heptanol 196.72
    ethylbenzene 269.23
    MIBK 579.37
    2-propoxyethanol 809.78
    tert-butanol 714.92
    MTBE 836.19
    2-butoxyethanol 357.73
    propionic acid 873.78
    o-xylene 278.76
    formic acid 201.37
    diethyl ether 1436.56
    m-xylene 350.9
    p-xylene 357.03
    chlorobenzene 1036.94
    dimethyl carbonate 493.19
    n-octane 67.39
    formamide 372.84
    cyclopentanone 3318.59
    2-pentanone 1476.83
    anisole 530.59
    cyclopentyl methyl ether 1459.72
    gamma-butyrolactone 2916.95
    1-methoxy-2-propanol 788.5
    pyridine 2196.19
    3-pentanone 1264.8
    furfural 1550.81
    n-dodecane 40.04
    diethylene glycol 511.02
    diisopropyl ether 364.25
    tert-amyl alcohol 453.59
    acetylacetone 1621.39
    n-hexadecane 48.29
    acetophenone 504.8
    methyl propionate 1244.61
    isopentyl acetate 766.74
    trichloroethylene 3366.44
    n-nonanol 191.76
    cyclohexanol 709.67
    benzyl alcohol 330.54
    2-ethylhexanol 379.08
    isooctanol 159.35
    dipropyl ether 886.29
    1,2-dichlorobenzene 789.03
    ethyl lactate 268.76
    propylene carbonate 1134.28
    n-methylformamide 1148.1
    2-pentanol 395.54
    n-pentane 256.67
    1-propoxy-2-propanol 674.09
    1-methoxy-2-propyl acetate 768.48
    2-(2-methoxypropoxy) propanol 347.06
    mesitylene 224.4
    ε-caprolactone 1394.58
    p-cymene 170.54
    epichlorohydrin 2170.42
    1,1,1-trichloroethane 1830.06
    2-aminoethanol 321.89
    morpholine-4-carbaldehyde 1512.19
    sulfolane 3431.77
    2,2,4-trimethylpentane 67.81
    2-methyltetrahydrofuran 2100.7
    n-hexyl acetate 627.28
    isooctane 64.88
    2-(2-butoxyethoxy)ethanol 506.58
    sec-butyl acetate 488.35
    tert-butyl acetate 767.04
    decalin 149.57
    glycerin 333.87
    diglyme 1158.35
    acrylic acid 747.2
    isopropyl myristate 230.98
    n-butyric acid 1015.96
    acetyl acetate 873.02
    di(2-ethylhexyl) phthalate 177.3
    ethyl propionate 683.43
    nitromethane 2315.08
    1,2-diethoxyethane 1125.29
    benzonitrile 674.72
    trioctyl phosphate 142.63
    1-bromopropane 1448.21
    gamma-valerolactone 2371.61
    n-decanol 144.8
    triethyl phosphate 240.46
    4-methyl-2-pentanol 194.3
    propionitrile 1032.15
    vinylene carbonate 964.32
    1,1,2-trichlorotrifluoroethane 1401.37
    DMS 599.56
    cumene 149.56
    2-octanol 143.23
    2-hexanone 970.59
    octyl acetate 284.12
    limonene 335.42
    1,2-dimethoxyethane 1209.31
    ethyl orthosilicate 235.78
    tributyl phosphate 192.85
    diacetone alcohol 624.72
    N,N-dimethylaniline 308.83
    acrylonitrile 1211.58
    aniline 683.87
    1,3-propanediol 429.28
    bromobenzene 1262.37
    dibromomethane 2254.25
    1,1,2,2-tetrachloroethane 2487.06
    2-methyl-cyclohexyl acetate 428.69
    tetrabutyl urea 274.24
    diisobutyl methanol 218.37
    2-phenylethanol 388.67
    styrene 450.27
    dioctyl adipate 322.98
    dimethyl sulfate 906.2
    ethyl butyrate 763.31
    methyl lactate 409.08
    butyl lactate 331.21
    diethyl carbonate 411.69
    propanediol butyl ether 354.45
    triethyl orthoformate 437.85
    p-tert-butyltoluene 165.03
    methyl 4-tert-butylbenzoate 330.77
    morpholine 2235.73
    tert-butylamine 499.59
    n-dodecanol 117.03
    dimethoxymethane 1440.17
    ethylene carbonate 865.8
    cyrene 346.35
    2-ethoxyethyl acetate 683.35
    2-ethylhexyl acetate 635.08
    1,2,4-trichlorobenzene 871.28
    4-methylpyridine 1586.91
    dibutyl ether 600.34
    2,6-dimethyl-4-heptanol 218.37
    DEF 1492.42
    dimethyl isosorbide 674.67
    tetrachloroethylene 1674.96
    eugenol 317.78
    triacetin 560.92
    span 80 354.08
    1,4-butanediol 184.88
    1,1-dichloroethane 2124.91
    2-methyl-1-pentanol 293.0
    methyl formate 830.38
    2-methyl-1-butanol 367.12
    n-decane 73.46
    butyronitrile 918.36
    3,7-dimethyl-1-octanol 232.09
    1-chlorooctane 265.03
    1-chlorotetradecane 101.91
    n-nonane 82.89
    undecane 51.68
    tert-butylcyclohexane 112.82
    cyclooctane 183.01
    cyclopentanol 901.32
    tetrahydropyran 2668.36
    tert-amyl methyl ether 502.08
    2,5,8-trioxanonane 701.73
    1-hexene 786.87
    2-isopropoxyethanol 399.97
    2,2,2-trifluoroethanol 301.37
    methyl butyrate 925.57

    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