Pyridine, 2-(2,4-dimethylcyclohexyl)-

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  • Identifiers

    CAS number
    885702-72-7

    Molecular formula
    C13H19N

    SMILES
    CC1CCC(C(C1)C)C2=CC=CC=N2

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 81.9%
    Herbal 59.02%
    Earthy 58.44%
    Woody 46.32%
    Animal 40.56%
    Leafy 39.89%
    Fresh 34.45%
    Floral 33.46%
    Cortex 31.97%
    Leathery 29.96%

     

    Flavor
    Green 41.53%
    Woody 36.67%
    Earthy 36.14%
    Sweet 36.01%
    Herbal 35.3%
    Musty 33.93%
    Spice 29.29%
    Wood 29.05%
    Fruity 27.74%
    Herb 26.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    6.74 (neutral)

    Molecular weight
    189.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    277°C

    Flash point

    • 110.83 ˚C est.

  • Synonyms

    • Pyridine, 2-(2,4-dimethylcyclohexyl)-
    • 885702-72-7
    • 2-(2,4-dimethylcyclohexyl)pyridine
    • DTXSID10889227
    • RefChem:870601
    • DTXCID20840203
    • SCHEMBL579302
    • SCHEMBL29411167
    • 2-(2,4-dimethyl cyclohexyl) pyridine
    • 885702-72-7

  • Applications

    CAS number: 885702-72-7; Pyridine, 2-(2,4-dimethylcyclohexyl)- is primarily used as a synthetic intermediate in the manufacture of pharmaceuticals and agrochemicals, where it serves as a building block for active ingredients or key intermediates. It may also find application in fragrance chemistry as an odorant or fixative component, leveraging the pyridine ring to impart distinctive notes. In polymer and plastics chemistry, it is evaluated as a specialty building block for new materials or as a processing aid. In coatings and inks contexts, it can be used as an intermediate or formulation additive to enable specific routes of synthesis or properties. Additionally, as a heteroaromatic compound, it may be used as a solvent or reagent in certain industrial manufacturing steps under appropriate handling and regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3950.55
    methanol 2513.64
    isopropanol 3191.72
    water 0.27
    ethyl acetate 5722.82
    n-propanol 3516.73
    acetone 6914.66
    n-butanol 3542.63
    acetonitrile 4370.81
    DMF 3420.78
    toluene 2589.64
    isobutanol 2634.87
    1,4-dioxane 6905.17
    methyl acetate 3271.45
    THF 7382.14
    2-butanone 4320.41
    n-pentanol 1532.01
    sec-butanol 1945.13
    n-hexane 500.66
    ethylene glycol 187.47
    NMP 1327.52
    cyclohexane 1311.02
    DMSO 2493.69
    n-butyl acetate 4359.47
    n-octanol 508.51
    chloroform 7572.45
    n-propyl acetate 1795.47
    acetic acid 1514.83
    dichloromethane 8462.38
    cyclohexanone 5263.64
    propylene glycol 323.5
    isopropyl acetate 2709.95
    DMAc 1510.3
    2-ethoxyethanol 1478.29
    isopentanol 2883.49
    n-heptane 377.71
    ethyl formate 2490.78
    1,2-dichloroethane 6628.61
    n-hexanol 2920.44
    2-methoxyethanol 3566.06
    isobutyl acetate 1115.45
    tetrachloromethane 1183.53
    n-pentyl acetate 1111.59
    transcutol 5504.08
    n-heptanol 646.54
    ethylbenzene 637.38
    MIBK 1865.07
    2-propoxyethanol 3476.41
    tert-butanol 2753.96
    MTBE 4083.31
    2-butoxyethanol 1030.74
    propionic acid 1417.17
    o-xylene 831.89
    formic acid 230.26
    diethyl ether 7526.43
    m-xylene 1256.71
    p-xylene 698.33
    chlorobenzene 2566.76
    dimethyl carbonate 734.02
    n-octane 103.03
    formamide 452.29
    cyclopentanone 4156.39
    2-pentanone 4447.92
    anisole 1037.69
    cyclopentyl methyl ether 3412.81
    gamma-butyrolactone 3778.35
    1-methoxy-2-propanol 2360.38
    pyridine 4476.42
    3-pentanone 2716.28
    furfural 2256.89
    n-dodecane 66.92
    diethylene glycol 1256.58
    diisopropyl ether 1409.27
    tert-amyl alcohol 1510.58
    acetylacetone 2812.36
    n-hexadecane 80.5
    acetophenone 712.78
    methyl propionate 2814.97
    isopentyl acetate 3164.83
    trichloroethylene 7481.67
    n-nonanol 427.12
    cyclohexanol 2384.29
    benzyl alcohol 762.5
    2-ethylhexanol 1365.8
    isooctanol 444.23
    dipropyl ether 2694.91
    1,2-dichlorobenzene 1461.74
    ethyl lactate 334.52
    propylene carbonate 2003.74
    n-methylformamide 1744.83
    2-pentanol 2070.68
    n-pentane 670.55
    1-propoxy-2-propanol 2277.49
    1-methoxy-2-propyl acetate 2323.62
    2-(2-methoxypropoxy) propanol 613.73
    mesitylene 617.15
    ε-caprolactone 3473.82
    p-cymene 434.44
    epichlorohydrin 4954.42
    1,1,1-trichloroethane 4561.88
    2-aminoethanol 623.19
    morpholine-4-carbaldehyde 2080.96
    sulfolane 2338.95
    2,2,4-trimethylpentane 166.85
    2-methyltetrahydrofuran 5541.81
    n-hexyl acetate 1392.63
    isooctane 160.49
    2-(2-butoxyethoxy)ethanol 1146.19
    sec-butyl acetate 1100.62
    tert-butyl acetate 2036.18
    decalin 243.75
    glycerin 360.3
    diglyme 2401.16
    acrylic acid 835.14
    isopropyl myristate 411.88
    n-butyric acid 3628.69
    acetyl acetate 1788.99
    di(2-ethylhexyl) phthalate 284.92
    ethyl propionate 1393.8
    nitromethane 2823.26
    1,2-diethoxyethane 3607.83
    benzonitrile 1488.81
    trioctyl phosphate 237.02
    1-bromopropane 4689.35
    gamma-valerolactone 4778.48
    n-decanol 319.75
    triethyl phosphate 339.16
    4-methyl-2-pentanol 920.57
    propionitrile 3502.54
    vinylene carbonate 1710.42
    1,1,2-trichlorotrifluoroethane 1562.35
    DMS 788.4
    cumene 335.26
    2-octanol 357.21
    2-hexanone 1747.79
    octyl acetate 517.72
    limonene 862.11
    1,2-dimethoxyethane 3471.22
    ethyl orthosilicate 393.88
    tributyl phosphate 334.47
    diacetone alcohol 1338.23
    N,N-dimethylaniline 472.8
    acrylonitrile 2724.49
    aniline 2048.08
    1,3-propanediol 1493.91
    bromobenzene 2954.73
    dibromomethane 6196.68
    1,1,2,2-tetrachloroethane 4779.54
    2-methyl-cyclohexyl acetate 764.31
    tetrabutyl urea 373.67
    diisobutyl methanol 593.71
    2-phenylethanol 1055.58
    styrene 943.63
    dioctyl adipate 437.82
    dimethyl sulfate 677.24
    ethyl butyrate 1894.06
    methyl lactate 496.28
    butyl lactate 571.98
    diethyl carbonate 876.14
    propanediol butyl ether 578.82
    triethyl orthoformate 935.39
    p-tert-butyltoluene 404.97
    methyl 4-tert-butylbenzoate 480.49
    morpholine 7260.67
    tert-butylamine 2075.86
    n-dodecanol 237.91
    dimethoxymethane 3776.45
    ethylene carbonate 1860.99
    cyrene 389.36
    2-ethoxyethyl acetate 1497.24
    2-ethylhexyl acetate 2151.96
    1,2,4-trichlorobenzene 1398.19
    4-methylpyridine 4216.49
    dibutyl ether 1433.57
    2,6-dimethyl-4-heptanol 593.71
    DEF 3120.21
    dimethyl isosorbide 1030.54
    tetrachloroethylene 3158.42
    eugenol 445.35
    triacetin 630.29
    span 80 553.95
    1,4-butanediol 346.75
    1,1-dichloroethane 6494.64
    2-methyl-1-pentanol 1155.57
    methyl formate 1361.79
    2-methyl-1-butanol 2184.49
    n-decane 123.54
    butyronitrile 4270.86
    3,7-dimethyl-1-octanol 554.61
    1-chlorooctane 519.55
    1-chlorotetradecane 179.37
    n-nonane 134.11
    undecane 87.62
    tert-butylcyclohexane 192.46
    cyclooctane 334.49
    cyclopentanol 1824.57
    tetrahydropyran 9299.32
    tert-amyl methyl ether 1796.66
    2,5,8-trioxanonane 1099.2
    1-hexene 1741.91
    2-isopropoxyethanol 950.46
    2,2,2-trifluoroethanol 333.38
    methyl butyrate 2085.46

    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