2-(4-Methylcyclohexylidene)heptanenitrile

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  • Identifiers

    CAS number
    63967-52-2

    Molecular formula
    C14H23N

    SMILES
    CCCCCC(=C1CCC(CC1)C)C#N

  • Odor profile

    Fragrance
    Floral 46.66%
    Citrus 39.28%
    Fresh 38.33%
    Green 38.22%
    Waxy 36.96%
    Jasmin 33.93%
    Metallic 29.98%
    Aldehydic 29.48%
    Spicy 28.78%
    Ozone 26.95%

     

    Flavor
    Woody 35.19%
    Herbal 33.59%
    Wood 24.56%
    Spice 22.17%
    Diterpene 21.09%
    Low 20.95%
    Terpentine 20.23%
    Sandalwood 20.18%
    Oriental 19.96%
    Outdoor 19.56%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    8.35 (weak base)

    Molecular weight
    205.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    291°C

    Flash point

    • 134.04 ˚C est.

  • Synonyms

    • 2-(4-METHYLCYCLOHEXYLIDENE)HEPTANENITRILE
    • 63967-52-2
    • DTXSID00705664
    • ALJJLSJWJSMCCD-UHFFFAOYSA-N
    • 2-(4-Methyl Cyclohexylidene) Heptanonitrile

  • Applications

    2-(4-Methylcyclohexylidene)heptanenitrile (CAS 63967-52-2) is primarily used as a fragrance intermediate and odorant in perfumery, often contributing to scent profiles or serving as a fixative; it is evaluated for use as a fragrance ingredient in cosmetics and personal-care products and may appear in household products to provide odor effects; in industrial manufacturing it serves as a chemical building block for aroma compound derivatives and other fine chemicals; it can function as a reactive intermediate in coatings and inks formulations where odor control or specific scent notes are desired; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3038.75
    methanol 2936.19
    isopropanol 2350.59
    water 0.16
    ethyl acetate 8027.82
    n-propanol 2794.16
    acetone 10641.87
    n-butanol 2647.61
    acetonitrile 6580.93
    DMF 8462.44
    toluene 2998.19
    isobutanol 1779.63
    1,4-dioxane 5915.17
    methyl acetate 4913.21
    THF 8028.46
    2-butanone 6718.36
    n-pentanol 1257.39
    sec-butanol 1670.13
    n-hexane 353.14
    ethylene glycol 309.83
    NMP 3959.48
    cyclohexane 966.24
    DMSO 6706.29
    n-butyl acetate 4543.44
    n-octanol 474.02
    chloroform 9558.87
    n-propyl acetate 3077.65
    acetic acid 2396.65
    dichloromethane 10050.63
    cyclohexanone 8617.02
    propylene glycol 465.1
    isopropyl acetate 3953.38
    DMAc 3193.31
    2-ethoxyethanol 1523.83
    isopentanol 1827.83
    n-heptane 184.29
    ethyl formate 3462.99
    1,2-dichloroethane 8167.79
    n-hexanol 1800.61
    2-methoxyethanol 3307.73
    isobutyl acetate 1409.08
    tetrachloromethane 1521.95
    n-pentyl acetate 1873.43
    transcutol 7116.4
    n-heptanol 531.27
    ethylbenzene 909.1
    MIBK 2441.34
    2-propoxyethanol 2532.03
    tert-butanol 2042.97
    MTBE 2688.4
    2-butoxyethanol 1088.84
    propionic acid 2361.08
    o-xylene 948.14
    formic acid 551.67
    diethyl ether 5306.06
    m-xylene 1298.14
    p-xylene 1103.09
    chlorobenzene 3918.07
    dimethyl carbonate 1485.87
    n-octane 60.86
    formamide 1289.37
    cyclopentanone 8732.5
    2-pentanone 6699.97
    anisole 1831.19
    cyclopentyl methyl ether 3994.62
    gamma-butyrolactone 7427.29
    1-methoxy-2-propanol 2568.05
    pyridine 7361.37
    3-pentanone 4044.23
    furfural 5181.93
    n-dodecane 39.26
    diethylene glycol 1189.17
    diisopropyl ether 1107.61
    tert-amyl alcohol 1228.07
    acetylacetone 5858.22
    n-hexadecane 50.34
    acetophenone 1599.04
    methyl propionate 4520.28
    isopentyl acetate 2899.33
    trichloroethylene 12727.27
    n-nonanol 407.03
    cyclohexanol 2278.37
    benzyl alcohol 1201.14
    2-ethylhexanol 908.43
    isooctanol 412.82
    dipropyl ether 1836.06
    1,2-dichlorobenzene 2885.58
    ethyl lactate 706.21
    propylene carbonate 3536.21
    n-methylformamide 3822.76
    2-pentanol 1641.16
    n-pentane 331.38
    1-propoxy-2-propanol 1970.37
    1-methoxy-2-propyl acetate 2819.25
    2-(2-methoxypropoxy) propanol 747.8
    mesitylene 726.37
    ε-caprolactone 5344.9
    p-cymene 410.21
    epichlorohydrin 7418.51
    1,1,1-trichloroethane 6491.06
    2-aminoethanol 768.26
    morpholine-4-carbaldehyde 3876.58
    sulfolane 6366.12
    2,2,4-trimethylpentane 85.65
    2-methyltetrahydrofuran 5716.32
    n-hexyl acetate 1978.13
    isooctane 92.69
    2-(2-butoxyethoxy)ethanol 1395.89
    sec-butyl acetate 1684.5
    tert-butyl acetate 2977.67
    decalin 212.55
    glycerin 574.82
    diglyme 3301.12
    acrylic acid 1890.68
    isopropyl myristate 571.71
    n-butyric acid 4421.68
    acetyl acetate 3506.4
    di(2-ethylhexyl) phthalate 396.69
    ethyl propionate 2324.15
    nitromethane 6975.05
    1,2-diethoxyethane 3392.25
    benzonitrile 2758.94
    trioctyl phosphate 322.43
    1-bromopropane 4319.21
    gamma-valerolactone 8241.35
    n-decanol 284.08
    triethyl phosphate 482.5
    4-methyl-2-pentanol 680.85
    propionitrile 4460.28
    vinylene carbonate 3369.9
    1,1,2-trichlorotrifluoroethane 3714.45
    DMS 1563.29
    cumene 426.29
    2-octanol 361.13
    2-hexanone 2560.79
    octyl acetate 705.21
    limonene 691.14
    1,2-dimethoxyethane 3696.65
    ethyl orthosilicate 498.11
    tributyl phosphate 476.27
    diacetone alcohol 2071.33
    N,N-dimethylaniline 805.66
    acrylonitrile 4816.6
    aniline 2510.39
    1,3-propanediol 1433.47
    bromobenzene 4509.11
    dibromomethane 6455.92
    1,1,2,2-tetrachloroethane 8477.51
    2-methyl-cyclohexyl acetate 936.17
    tetrabutyl urea 553.84
    diisobutyl methanol 487.4
    2-phenylethanol 1237.03
    styrene 1503.38
    dioctyl adipate 748.85
    dimethyl sulfate 1740.18
    ethyl butyrate 2224.9
    methyl lactate 1082.57
    butyl lactate 1039.74
    diethyl carbonate 1167.42
    propanediol butyl ether 932.86
    triethyl orthoformate 1119.84
    p-tert-butyltoluene 391.7
    methyl 4-tert-butylbenzoate 843.56
    morpholine 6875.53
    tert-butylamine 1286.02
    n-dodecanol 206.18
    dimethoxymethane 4138.58
    ethylene carbonate 3134.05
    cyrene 669.92
    2-ethoxyethyl acetate 2458.01
    2-ethylhexyl acetate 2058.49
    1,2,4-trichlorobenzene 2990.84
    4-methylpyridine 6298.26
    dibutyl ether 1268.51
    2,6-dimethyl-4-heptanol 487.4
    DEF 5016.45
    dimethyl isosorbide 1550.71
    tetrachloroethylene 5207.35
    eugenol 788.61
    triacetin 1394.29
    span 80 764.14
    1,4-butanediol 432.99
    1,1-dichloroethane 7764.05
    2-methyl-1-pentanol 913.6
    methyl formate 2886.99
    2-methyl-1-butanol 1554.43
    n-decane 78.31
    butyronitrile 4961.63
    3,7-dimethyl-1-octanol 540.54
    1-chlorooctane 481.67
    1-chlorotetradecane 157.63
    n-nonane 79.8
    undecane 53.12
    tert-butylcyclohexane 159.1
    cyclooctane 229.42
    cyclopentanol 2256.3
    tetrahydropyran 8175.42
    tert-amyl methyl ether 1367.67
    2,5,8-trioxanonane 1497.85
    1-hexene 1427.89
    2-isopropoxyethanol 1018.05
    2,2,2-trifluoroethanol 739.87
    methyl butyrate 3361.49

    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