2-Nonenenitrile, 2,3-dimethyl-

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  • Identifiers

    CAS number
    53153-67-6

    Molecular formula
    C11H19N

    SMILES
    CCCCCCC(=C(C)C#N)C

    Safety labels

  • Odor profile

    Fragrance
    Citrus 56.65%
    Floral 48.04%
    Fruity 46.61%
    Fresh 44.63%
    Lemon 40.83%
    Waxy 37.68%
    Green 35.75%
    Herbal 34.7%
    Spicy 33.66%
    Metallic 33.39%

     

    Flavor
    Herbal 32.9%
    Woody 31.8%
    Wood 24.31%
    Oriental 21.88%
    Spicy 21.82%
    Diterpene 21.7%
    Herb 21.69%
    Low 21.56%
    Opoponax 20.87%
    Balsam 20.86%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    9.33 (weak base)

    Molecular weight
    165.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    233°C

    Flash point

    • 96.98 ˚C est.

  • Synonyms

    • 53153-67-6
    • 2,3-Dimethyl-2-nonenenitrile
    • 2-Nonenenitrile, 2,3-dimethyl-
    • EINECS 258-399-4
    • DTXSID3068831
    • RefChem:88773
    • DTXCID9041366
    • 2,3-Dimethylnon-2-enenitrile
    • 2,3-Dimethyl-2-Nonene Nitrile
    • SCHEMBL972917
    • DB-260318
    • NS00012314
    • 53153-67-6

  • Applications

    2-Nonenenitrile, 2,3-dimethyl- (CAS 53153-67-6) is typically used as an organic synthesis intermediate across several industries. In the fragrance and flavor sector, it serves as a building block for aroma compounds and related fragrance ingredients. In polymer and coatings chemistry, it can function as a specialty monomer or a precursor for nitrile-containing polymers and crosslinking agents. It is also evaluated as an intermediate in pharmaceutical and agrochemical research for the synthesis of more complex molecules. Additionally, it may be used as a reactive solvent or processing aid in industrial manufacturing, subject to formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3218.54
    methanol 3321.28
    isopropanol 2988.69
    water 0.36
    ethyl acetate 5907.1
    n-propanol 3059.85
    acetone 8912.27
    n-butanol 2683.3
    acetonitrile 6381.75
    DMF 6076.89
    toluene 2092.06
    isobutanol 2230.49
    1,4-dioxane 5836.84
    methyl acetate 4245.41
    THF 6834.52
    2-butanone 5831.47
    n-pentanol 1657.14
    sec-butanol 2222.4
    n-hexane 847.31
    ethylene glycol 364.55
    NMP 3799.89
    cyclohexane 1578.16
    DMSO 5143.27
    n-butyl acetate 4566.29
    n-octanol 714.04
    chloroform 7660.98
    n-propyl acetate 3060.26
    acetic acid 2418.62
    dichloromethane 6945.25
    cyclohexanone 7752.19
    propylene glycol 543.31
    isopropyl acetate 3030.49
    DMAc 2845.22
    2-ethoxyethanol 1564.78
    isopentanol 2059.3
    n-heptane 439.71
    ethyl formate 2553.85
    1,2-dichloroethane 5372.93
    n-hexanol 2430.07
    2-methoxyethanol 2841.03
    isobutyl acetate 1517.21
    tetrachloromethane 1861.57
    n-pentyl acetate 1829.84
    transcutol 6040.7
    n-heptanol 746.8
    ethylbenzene 839.06
    MIBK 2061.67
    2-propoxyethanol 2380.22
    tert-butanol 3057.76
    MTBE 3881.61
    2-butoxyethanol 1163.9
    propionic acid 2497.69
    o-xylene 830.1
    formic acid 541.58
    diethyl ether 5626.51
    m-xylene 1013.28
    p-xylene 1132.14
    chlorobenzene 2890.49
    dimethyl carbonate 959.15
    n-octane 149.76
    formamide 1056.5
    cyclopentanone 6895.42
    2-pentanone 4849.13
    anisole 1500.61
    cyclopentyl methyl ether 3639.61
    gamma-butyrolactone 5877.06
    1-methoxy-2-propanol 2191.22
    pyridine 5711.39
    3-pentanone 3521.63
    furfural 3606.88
    n-dodecane 76.31
    diethylene glycol 1166.36
    diisopropyl ether 1332.52
    tert-amyl alcohol 2070.5
    acetylacetone 4001.6
    n-hexadecane 93.57
    acetophenone 1237.22
    methyl propionate 3242.56
    isopentyl acetate 2878.71
    trichloroethylene 7682.37
    n-nonanol 586.98
    cyclohexanol 2696.46
    benzyl alcohol 948.08
    2-ethylhexanol 1290.22
    isooctanol 591.58
    dipropyl ether 2372.16
    1,2-dichlorobenzene 2129.32
    ethyl lactate 647.87
    propylene carbonate 2671.25
    n-methylformamide 2849.98
    2-pentanol 1902.11
    n-pentane 608.01
    1-propoxy-2-propanol 2095.57
    1-methoxy-2-propyl acetate 2269.43
    2-(2-methoxypropoxy) propanol 809.13
    mesitylene 642.83
    ε-caprolactone 4798.9
    p-cymene 461.43
    epichlorohydrin 5153.82
    1,1,1-trichloroethane 5710.12
    2-aminoethanol 862.47
    morpholine-4-carbaldehyde 3182.06
    sulfolane 5120.05
    2,2,4-trimethylpentane 177.98
    2-methyltetrahydrofuran 5855.69
    n-hexyl acetate 2021.56
    isooctane 174.44
    2-(2-butoxyethoxy)ethanol 1347.14
    sec-butyl acetate 1646.65
    tert-butyl acetate 2833.18
    decalin 369.04
    glycerin 607.88
    diglyme 2924.17
    acrylic acid 1791.87
    isopropyl myristate 634.07
    n-butyric acid 3878.94
    acetyl acetate 2508.78
    di(2-ethylhexyl) phthalate 399.66
    ethyl propionate 2067.63
    nitromethane 5538.77
    1,2-diethoxyethane 3353.44
    benzonitrile 2278.41
    trioctyl phosphate 348.07
    1-bromopropane 3919.21
    gamma-valerolactone 5994.08
    n-decanol 402.45
    triethyl phosphate 538.51
    4-methyl-2-pentanol 848.14
    propionitrile 4515.94
    vinylene carbonate 2484.44
    1,1,2-trichlorotrifluoroethane 2968.74
    DMS 1346.26
    cumene 440.99
    2-octanol 549.5
    2-hexanone 3054.79
    octyl acetate 767.44
    limonene 897.84
    1,2-dimethoxyethane 3610.03
    ethyl orthosilicate 577.86
    tributyl phosphate 501.85
    diacetone alcohol 1919.04
    N,N-dimethylaniline 733.5
    acrylonitrile 4203.01
    aniline 1933.03
    1,3-propanediol 1424.57
    bromobenzene 3183.86
    dibromomethane 5097.87
    1,1,2,2-tetrachloroethane 6231.38
    2-methyl-cyclohexyl acetate 1118.03
    tetrabutyl urea 588.54
    diisobutyl methanol 687.02
    2-phenylethanol 1129.51
    styrene 1238.01
    dioctyl adipate 773.03
    dimethyl sulfate 1317.67
    ethyl butyrate 2242.25
    methyl lactate 815.7
    butyl lactate 1001.51
    diethyl carbonate 1142.48
    propanediol butyl ether 957.0
    triethyl orthoformate 1191.54
    p-tert-butyltoluene 468.68
    methyl 4-tert-butylbenzoate 843.79
    morpholine 6537.17
    tert-butylamine 2165.59
    n-dodecanol 296.05
    dimethoxymethane 2624.95
    ethylene carbonate 2411.18
    cyrene 702.14
    2-ethoxyethyl acetate 2098.17
    2-ethylhexyl acetate 2218.1
    1,2,4-trichlorobenzene 2149.15
    4-methylpyridine 4765.62
    dibutyl ether 1691.79
    2,6-dimethyl-4-heptanol 687.02
    DEF 4090.26
    dimethyl isosorbide 1514.17
    tetrachloroethylene 4276.89
    eugenol 787.01
    triacetin 1354.49
    span 80 860.63
    1,4-butanediol 500.57
    1,1-dichloroethane 6240.13
    2-methyl-1-pentanol 1228.52
    methyl formate 1991.69
    2-methyl-1-butanol 1806.18
    n-decane 162.5
    butyronitrile 4344.06
    3,7-dimethyl-1-octanol 720.69
    1-chlorooctane 687.04
    1-chlorotetradecane 227.0
    n-nonane 184.63
    undecane 106.1
    tert-butylcyclohexane 304.0
    cyclooctane 366.1
    cyclopentanol 2615.08
    tetrahydropyran 8377.41
    tert-amyl methyl ether 1968.6
    2,5,8-trioxanonane 1467.98
    1-hexene 2353.13
    2-isopropoxyethanol 1200.5
    2,2,2-trifluoroethanol 739.13
    methyl butyrate 2977.57

    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