Bicyclo[4.1.0]heptane-7,7-dicarbonitrile, 1,4-dimethyl-

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  • Identifiers

    Molecular formula
    C11H14N2

    SMILES
    CC1CCC2(C(C1)C2(C#N)C#N)C

  • Odor profile

    Fragrance
    Woody 48.77%
    Spicy 39.46%
    Dry 31.36%
    Citrus 28.9%
    Floral 26.64%
    Earthy 24.92%
    Sweet 24.44%
    Amber 24.36%
    Animal 22.47%
    Herbal 21.89%

     

    Flavor
    Bitter 71.72%
    Odorless 23.11%
    Nitrile 19.91%
    Cedarleaf 19.53%
    Oriental 18.08%
    Very strong 18.06%
    Indole 17.81%
    Sweet-like 17.78%
    Ripe apricot 17.71%
    Rotten 17.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    5.78 (weak acid)

    Molecular weight
    174.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    300°C

    Flash point

    • 105.2 ˚C est.

  • Synonyms

    • Bicyclo[4.1.0]heptane-7,7-dicarbonitrile, 1,4-dimethyl-
    • SGVMKEWWZPDVAK-UHFFFAOYSA-N
    • 1,4-Dimethylbicyclo[4.1.0]heptane-7,7-dicarbonitrile #

  • Applications

    Bicyclo[4.1.0]heptane-7,7-dicarbonitrile, 1,4-dimethyl- is a specialized synthetic building block used as an intermediate in organic synthesis. In industrial manufacturing and the polymers/plastics sector, it can serve as a precursor to functional nitrile-containing monomers and rigid crosslinkable intermediates for high‑performance resins. In coatings and inks, it provides a compact bicyclic core that can be further functionalized to tailor thermal and mechanical properties. In electronics and optoelectronics, its nitrile-bearing bicyclic scaffold is explored as a precursor to small molecules for advanced materials, including potential applications in liquid-crystal or semiconductor contexts. In pharmaceuticals and agrochemicals, it may be advanced as an intermediate for the synthesis of nitrile-containing heterocycles and other complex intermediates. In research and custom synthesis, it is often used as a specialized starting material for multi-step routes to higher-value chemicals, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 105.98
    methanol 125.66
    isopropanol 89.77
    water 2.12
    ethyl acetate 292.96
    n-propanol 101.17
    acetone 461.01
    n-butanol 78.79
    acetonitrile 307.26
    DMF 555.72
    toluene 91.39
    isobutanol 75.31
    1,4-dioxane 366.0
    methyl acetate 387.38
    THF 645.4
    2-butanone 343.98
    n-pentanol 52.73
    sec-butanol 70.38
    n-hexane 5.88
    ethylene glycol 77.53
    NMP 416.93
    cyclohexane 14.27
    DMSO 398.38
    n-butyl acetate 141.19
    n-octanol 41.65
    chloroform 502.02
    n-propyl acetate 146.88
    acetic acid 153.51
    dichloromethane 523.55
    cyclohexanone 374.38
    propylene glycol 78.19
    isopropyl acetate 180.71
    DMAc 336.15
    2-ethoxyethanol 121.34
    isopentanol 68.43
    n-heptane 7.13
    ethyl formate 186.79
    1,2-dichloroethane 349.47
    n-hexanol 81.71
    2-methoxyethanol 246.36
    isobutyl acetate 97.98
    tetrachloromethane 72.83
    n-pentyl acetate 91.61
    transcutol 256.51
    n-heptanol 45.6
    ethylbenzene 49.06
    MIBK 146.93
    2-propoxyethanol 184.47
    tert-butanol 94.61
    MTBE 98.1
    2-butoxyethanol 103.99
    propionic acid 171.64
    o-xylene 58.01
    formic acid 90.87
    diethyl ether 123.62
    m-xylene 69.74
    p-xylene 75.4
    chlorobenzene 191.57
    dimethyl carbonate 206.54
    n-octane 3.92
    formamide 182.57
    cyclopentanone 671.54
    2-pentanone 253.57
    anisole 136.07
    cyclopentyl methyl ether 191.03
    gamma-butyrolactone 725.77
    1-methoxy-2-propanol 201.44
    pyridine 306.44
    3-pentanone 213.83
    furfural 454.96
    n-dodecane 4.24
    diethylene glycol 178.62
    diisopropyl ether 44.89
    tert-amyl alcohol 70.66
    acetylacetone 433.24
    n-hexadecane 4.98
    acetophenone 149.88
    methyl propionate 288.22
    isopentyl acetate 126.24
    trichloroethylene 693.63
    n-nonanol 38.86
    cyclohexanol 84.18
    benzyl alcohol 96.07
    2-ethylhexanol 48.53
    isooctanol 39.07
    dipropyl ether 65.84
    1,2-dichlorobenzene 175.94
    ethyl lactate 91.95
    propylene carbonate 345.59
    n-methylformamide 308.49
    2-pentanol 56.7
    n-pentane 6.33
    1-propoxy-2-propanol 120.74
    1-methoxy-2-propyl acetate 195.05
    2-(2-methoxypropoxy) propanol 100.81
    mesitylene 43.58
    ε-caprolactone 282.85
    p-cymene 36.75
    epichlorohydrin 645.41
    1,1,1-trichloroethane 307.23
    2-aminoethanol 90.17
    morpholine-4-carbaldehyde 367.12
    sulfolane 565.27
    2,2,4-trimethylpentane 4.45
    2-methyltetrahydrofuran 302.8
    n-hexyl acetate 122.36
    isooctane 5.41
    2-(2-butoxyethoxy)ethanol 120.28
    sec-butyl acetate 101.03
    tert-butyl acetate 168.79
    decalin 9.52
    glycerin 106.43
    diglyme 251.71
    acrylic acid 184.49
    isopropyl myristate 49.99
    n-butyric acid 163.99
    acetyl acetate 240.43
    di(2-ethylhexyl) phthalate 52.91
    ethyl propionate 147.22
    nitromethane 570.4
    1,2-diethoxyethane 98.32
    benzonitrile 167.28
    trioctyl phosphate 41.33
    1-bromopropane 133.61
    gamma-valerolactone 561.05
    n-decanol 30.03
    triethyl phosphate 61.05
    4-methyl-2-pentanol 43.99
    propionitrile 198.41
    vinylene carbonate 326.68
    1,1,2-trichlorotrifluoroethane 314.56
    DMS 210.63
    cumene 36.25
    2-octanol 31.63
    2-hexanone 137.95
    octyl acetate 63.66
    limonene 46.42
    1,2-dimethoxyethane 218.11
    ethyl orthosilicate 51.86
    tributyl phosphate 46.86
    diacetone alcohol 178.95
    N,N-dimethylaniline 77.09
    acrylonitrile 294.61
    aniline 113.73
    1,3-propanediol 116.56
    bromobenzene 200.48
    dibromomethane 293.53
    1,1,2,2-tetrachloroethane 415.11
    2-methyl-cyclohexyl acetate 91.3
    tetrabutyl urea 60.58
    diisobutyl methanol 34.72
    2-phenylethanol 119.07
    styrene 63.56
    dioctyl adipate 71.32
    dimethyl sulfate 305.97
    ethyl butyrate 103.5
    methyl lactate 162.73
    butyl lactate 80.99
    diethyl carbonate 85.95
    propanediol butyl ether 91.27
    triethyl orthoformate 68.48
    p-tert-butyltoluene 36.87
    methyl 4-tert-butylbenzoate 121.06
    morpholine 325.84
    tert-butylamine 47.8
    n-dodecanol 23.5
    dimethoxymethane 326.92
    ethylene carbonate 262.15
    cyrene 140.83
    2-ethoxyethyl acetate 152.68
    2-ethylhexyl acetate 95.55
    1,2,4-trichlorobenzene 211.22
    4-methylpyridine 243.23
    dibutyl ether 41.46
    2,6-dimethyl-4-heptanol 34.72
    DEF 200.49
    dimethyl isosorbide 209.16
    tetrachloroethylene 258.18
    eugenol 109.9
    triacetin 143.22
    span 80 81.02
    1,4-butanediol 56.99
    1,1-dichloroethane 306.75
    2-methyl-1-pentanol 45.7
    methyl formate 314.77
    2-methyl-1-butanol 58.69
    n-decane 6.2
    butyronitrile 152.63
    3,7-dimethyl-1-octanol 42.58
    1-chlorooctane 33.66
    1-chlorotetradecane 15.09
    n-nonane 5.38
    undecane 5.09
    tert-butylcyclohexane 8.4
    cyclooctane 5.57
    cyclopentanol 136.17
    tetrahydropyran 250.73
    tert-amyl methyl ether 67.25
    2,5,8-trioxanonane 161.05
    1-hexene 26.67
    2-isopropoxyethanol 90.5
    2,2,2-trifluoroethanol 127.37
    methyl butyrate 177.74

    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