3,7-Dimethyl-2,6-nonadienenitrile

Overview IFRA Request a quote

  • Identifiers

    CAS number
    61792-11-8

    Molecular formula
    C11H17N

    SMILES
    CCC(=CCCC(=CC#N)C)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Citrus 74.89%
    Fruity 60.31%
    Lemon 56.97%
    Fresh 49.39%
    Green 48.15%
    Floral 46.79%
    Metallic 40.29%
    Sweet 40.2%
    Aldehydic 38.84%
    Herbal 35.46%

     

    Flavor
    Herbal 37.87%
    Woody 36.42%
    Citrus 32.51%
    Wood 32.06%
    Spicy 31.28%
    Balsam 30.31%
    Herb 26.09%
    Balsamic 25.12%
    Oriental 24.45%
    Terpene 24.11%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.88 (weak base)

    Molecular weight
    163.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    230°C

    Flash point

    • 106.39 ˚C est.

  • Synonyms

    • 3,7-Dimethylnona-2,6-dienenitrile
    • 61792-11-8
    • Lemonile
    • 3,7-Dimethyl-2,6-nonadienenitrile
    • 2,6-Nonadienenitrile, 3,7-dimethyl-
    • EINECS 263-214-5
    • UNII-B8MK5EZU56
    • B8MK5EZU56
    • DTXSID1052296
    • EC 263-214-5
    • HOMOGERANYL NITRILE
    • DTXCID1030868
    • 3,7-dimethyl-2,6-nonadien-1-nitrile
    • DB-073012

  • Applications

    3,7-Dimethyl-2,6-nonadienenitrile, CAS 61792-11-8, is primarily viewed as a chemical intermediate and building block in organic synthesis for functional nitrile compounds and conjugated diene derivatives. In industry, it may be used as a feedstock for specialty chemical precursors in polymer and high-performance plastic materials, and is also considered a potential precursor for applications in nitrile-based coatings and adhesives. Additionally, it can serve as a precursor for fragrance-related intermediates, and is studied as part of synthetic routes for pharmaceutical intermediates and certain agrochemical intermediates. Use depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 641.49
    methanol 714.56
    isopropanol 492.82
    water 0.61
    ethyl acetate 921.82
    n-propanol 529.32
    acetone 1394.15
    n-butanol 479.17
    acetonitrile 854.62
    DMF 1368.59
    toluene 513.84
    isobutanol 363.11
    1,4-dioxane 1679.65
    methyl acetate 740.52
    THF 1679.14
    2-butanone 985.41
    n-pentanol 336.66
    sec-butanol 403.26
    n-hexane 201.32
    ethylene glycol 126.68
    NMP 1072.16
    cyclohexane 463.59
    DMSO 1214.0
    n-butyl acetate 713.66
    n-octanol 182.77
    chloroform 1973.73
    n-propyl acetate 479.47
    acetic acid 602.44
    dichloromethane 1381.49
    cyclohexanone 1344.43
    propylene glycol 222.27
    isopropyl acetate 497.97
    DMAc 1009.62
    2-ethoxyethanol 379.2
    isopentanol 325.57
    n-heptane 144.75
    ethyl formate 392.52
    1,2-dichloroethane 919.13
    n-hexanol 548.18
    2-methoxyethanol 597.71
    isobutyl acetate 293.99
    tetrachloromethane 398.05
    n-pentyl acetate 321.33
    transcutol 1587.45
    n-heptanol 187.14
    ethylbenzene 192.05
    MIBK 340.24
    2-propoxyethanol 588.26
    tert-butanol 574.48
    MTBE 646.75
    2-butoxyethanol 285.24
    propionic acid 509.35
    o-xylene 225.24
    formic acid 170.69
    diethyl ether 1032.0
    m-xylene 257.76
    p-xylene 268.08
    chlorobenzene 579.55
    dimethyl carbonate 240.07
    n-octane 42.86
    formamide 263.51
    cyclopentanone 1344.43
    2-pentanone 742.83
    anisole 379.39
    cyclopentyl methyl ether 797.47
    gamma-butyrolactone 1129.57
    1-methoxy-2-propanol 498.37
    pyridine 1288.67
    3-pentanone 645.77
    furfural 818.94
    n-dodecane 26.11
    diethylene glycol 376.01
    diisopropyl ether 263.82
    tert-amyl alcohol 398.88
    acetylacetone 738.33
    n-hexadecane 31.1
    acetophenone 321.86
    methyl propionate 591.58
    isopentyl acetate 516.31
    trichloroethylene 1560.66
    n-nonanol 163.41
    cyclohexanol 557.08
    benzyl alcohol 259.51
    2-ethylhexanol 289.41
    isooctanol 142.67
    dipropyl ether 541.15
    1,2-dichlorobenzene 428.18
    ethyl lactate 172.21
    propylene carbonate 569.4
    n-methylformamide 527.42
    2-pentanol 333.71
    n-pentane 163.48
    1-propoxy-2-propanol 494.15
    1-methoxy-2-propyl acetate 517.82
    2-(2-methoxypropoxy) propanol 294.04
    mesitylene 162.27
    ε-caprolactone 834.85
    p-cymene 136.14
    epichlorohydrin 976.53
    1,1,1-trichloroethane 1022.05
    2-aminoethanol 251.63
    morpholine-4-carbaldehyde 876.8
    sulfolane 1059.04
    2,2,4-trimethylpentane 48.11
    2-methyltetrahydrofuran 1244.9
    n-hexyl acetate 419.11
    isooctane 41.1
    2-(2-butoxyethoxy)ethanol 409.58
    sec-butyl acetate 304.48
    tert-butyl acetate 482.18
    decalin 101.19
    glycerin 231.27
    diglyme 880.48
    acrylic acid 419.05
    isopropyl myristate 167.51
    n-butyric acid 659.2
    acetyl acetate 539.94
    di(2-ethylhexyl) phthalate 139.31
    ethyl propionate 372.47
    nitromethane 992.01
    1,2-diethoxyethane 723.86
    benzonitrile 445.25
    trioctyl phosphate 101.58
    1-bromopropane 667.41
    gamma-valerolactone 1164.68
    n-decanol 118.89
    triethyl phosphate 177.15
    4-methyl-2-pentanol 157.21
    propionitrile 631.68
    vinylene carbonate 528.22
    1,1,2-trichlorotrifluoroethane 769.7
    DMS 381.7
    cumene 114.32
    2-octanol 129.89
    2-hexanone 528.84
    octyl acetate 199.55
    limonene 249.55
    1,2-dimethoxyethane 768.31
    ethyl orthosilicate 181.53
    tributyl phosphate 130.76
    diacetone alcohol 404.77
    N,N-dimethylaniline 223.94
    acrylonitrile 638.24
    aniline 479.44
    1,3-propanediol 295.33
    bromobenzene 644.12
    dibromomethane 1001.74
    1,1,2,2-tetrachloroethane 1312.31
    2-methyl-cyclohexyl acetate 305.38
    tetrabutyl urea 168.21
    diisobutyl methanol 172.39
    2-phenylethanol 305.67
    styrene 281.78
    dioctyl adipate 229.93
    dimethyl sulfate 372.08
    ethyl butyrate 465.64
    methyl lactate 237.32
    butyl lactate 213.56
    diethyl carbonate 277.7
    propanediol butyl ether 266.04
    triethyl orthoformate 315.74
    p-tert-butyltoluene 143.06
    methyl 4-tert-butylbenzoate 268.45
    morpholine 1607.73
    tert-butylamine 406.66
    n-dodecanol 93.07
    dimethoxymethane 638.98
    ethylene carbonate 492.32
    cyrene 263.93
    2-ethoxyethyl acetate 437.42
    2-ethylhexyl acetate 445.54
    1,2,4-trichlorobenzene 511.62
    4-methylpyridine 925.21
    dibutyl ether 349.15
    2,6-dimethyl-4-heptanol 172.39
    DEF 754.11
    dimethyl isosorbide 518.47
    tetrachloroethylene 912.19
    eugenol 248.92
    triacetin 406.71
    span 80 291.84
    1,4-butanediol 131.34
    1,1-dichloroethane 1030.6
    2-methyl-1-pentanol 231.5
    methyl formate 351.06
    2-methyl-1-butanol 300.92
    n-decane 48.52
    butyronitrile 587.18
    3,7-dimethyl-1-octanol 179.43
    1-chlorooctane 170.92
    1-chlorotetradecane 68.72
    n-nonane 52.35
    undecane 33.76
    tert-butylcyclohexane 77.8
    cyclooctane 115.7
    cyclopentanol 533.34
    tetrahydropyran 1863.2
    tert-amyl methyl ether 391.19
    2,5,8-trioxanonane 560.31
    1-hexene 451.18
    2-isopropoxyethanol 292.6
    2,2,2-trifluoroethanol 191.23
    methyl butyrate 479.35

    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