4-Hexylpyridine

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  • Identifiers

    CAS number
    27876-24-0

    Molecular formula
    C11H17N

    SMILES
    CCCCCCC1=CC=NC=C1

    Safety labels

  • Odor profile

    Fragrance
    Green 87.24%
    Fatty 60.99%
    Earthy 57.91%
    Herbal 50.12%
    Vegetable 47.33%
    Sweet 44.93%
    Nutty 39.57%
    Metallic 35.67%
    Fishy 35.38%
    Animal 30.9%

     

    Flavor
    Green 68.49%
    Fatty 58.48%
    Herbal 44.29%
    Fruity 39.54%
    Fat 36.49%
    Nutty 33.92%
    Earthy 32.91%
    Floral 32.87%
    Waxy 32.67%
    Mushroom 32.43%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    6.22 (neutral)

    Molecular weight
    163.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    246°C

    Flash point

    • 102.47 ˚C est.

  • Synonyms

    • 4-Hexylpyridine
    • 27876-24-0
    • EINECS 248-707-5
    • DTXSID60182174
    • RefChem:99109
    • DTXCID70104665
    • 248-707-5
    • MFCD00068555
    • p-hexylpyridine
    • 4-hexyl-pyridine
    • Pyridine, 4-hexyl-
    • 1-(4-Pyridyl)hexane
    • DBL89NJ8Z3
    • SCHEMBL295105
    • SCHEMBL863724
    • SCHEMBL1260784
    • SCHEMBL5748238
    • SCHEMBL7296109
    • SCHEMBL8205197
    • YWSGFNIDQLIDGL-UHFFFAOYSA-N
    • AKOS016011861
    • DS-6986
    • SY108608
    • CS-0152298
    • NS00028378
    • O11233
    • 27876-24-0

  • Applications

    4-Hexylpyridine (CAS 27876-24-0) is used as a versatile intermediate for the synthesis of pyridine-containing compounds, including pharmaceutical and agrochemical intermediates; it serves as a precursor for pyridine-based ligands in metal-catalyzed transformations and as a building block for pyridine-containing polymers and coatings; in polymer and coating applications it can act as a basic catalyst or additive to adjust cure kinetics and adhesion; and in materials science it functions as a ligand for metal complexes in advanced materials and electronic applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7469.26
    methanol 6355.66
    isopropanol 4589.03
    water 0.11
    ethyl acetate 12101.5
    n-propanol 5958.96
    acetone 14293.88
    n-butanol 5334.79
    acetonitrile 7584.01
    DMF 8085.02
    toluene 3747.9
    isobutanol 3984.1
    1,4-dioxane 8838.69
    methyl acetate 6758.15
    THF 9272.42
    2-butanone 9345.72
    n-pentanol 3028.68
    sec-butanol 3521.6
    n-hexane 933.98
    ethylene glycol 678.43
    NMP 3035.26
    cyclohexane 1347.75
    DMSO 10672.02
    n-butyl acetate 7555.16
    n-octanol 481.97
    chloroform 10320.35
    n-propyl acetate 4158.36
    acetic acid 3217.75
    dichloromethane 13042.9
    cyclohexanone 8196.14
    propylene glycol 980.85
    isopropyl acetate 4651.98
    DMAc 3681.86
    2-ethoxyethanol 3871.27
    isopentanol 3916.45
    n-heptane 479.28
    ethyl formate 3859.69
    1,2-dichloroethane 12570.8
    n-hexanol 4085.68
    2-methoxyethanol 8256.28
    isobutyl acetate 2013.35
    tetrachloromethane 1671.28
    n-pentyl acetate 1497.29
    transcutol 10742.09
    n-heptanol 687.67
    ethylbenzene 945.44
    MIBK 2849.23
    2-propoxyethanol 5570.21
    tert-butanol 4419.07
    MTBE 6943.03
    2-butoxyethanol 1456.87
    propionic acid 3193.72
    o-xylene 1142.81
    formic acid 673.49
    diethyl ether 12446.21
    m-xylene 1496.34
    p-xylene 996.39
    chlorobenzene 3663.26
    dimethyl carbonate 1466.23
    n-octane 105.64
    formamide 1315.05
    cyclopentanone 7260.59
    2-pentanone 8428.42
    anisole 1863.72
    cyclopentyl methyl ether 5895.74
    gamma-butyrolactone 6182.86
    1-methoxy-2-propanol 4907.12
    pyridine 8223.53
    3-pentanone 5928.86
    furfural 3984.7
    n-dodecane 55.88
    diethylene glycol 2424.17
    diisopropyl ether 2007.59
    tert-amyl alcohol 3056.31
    acetylacetone 5936.06
    n-hexadecane 68.05
    acetophenone 1306.71
    methyl propionate 6530.5
    isopentyl acetate 4550.86
    trichloroethylene 14470.51
    n-nonanol 426.35
    cyclohexanol 3429.69
    benzyl alcohol 1375.29
    2-ethylhexanol 1919.88
    isooctanol 520.02
    dipropyl ether 4990.9
    1,2-dichlorobenzene 2311.23
    ethyl lactate 720.59
    propylene carbonate 2895.46
    n-methylformamide 4140.09
    2-pentanol 3210.59
    n-pentane 813.54
    1-propoxy-2-propanol 3897.23
    1-methoxy-2-propyl acetate 3889.24
    2-(2-methoxypropoxy) propanol 909.64
    mesitylene 770.28
    ε-caprolactone 5393.71
    p-cymene 542.38
    epichlorohydrin 8982.86
    1,1,1-trichloroethane 7207.44
    2-aminoethanol 1777.38
    morpholine-4-carbaldehyde 4354.29
    sulfolane 5854.73
    2,2,4-trimethylpentane 238.33
    2-methyltetrahydrofuran 8276.72
    n-hexyl acetate 1689.03
    isooctane 201.95
    2-(2-butoxyethoxy)ethanol 1722.55
    sec-butyl acetate 2187.83
    tert-butyl acetate 3554.47
    decalin 352.62
    glycerin 989.47
    diglyme 3832.65
    acrylic acid 1922.94
    isopropyl myristate 496.9
    n-butyric acid 6008.15
    acetyl acetate 3328.1
    di(2-ethylhexyl) phthalate 348.94
    ethyl propionate 3088.64
    nitromethane 7337.68
    1,2-diethoxyethane 7559.89
    benzonitrile 2148.27
    trioctyl phosphate 271.34
    1-bromopropane 7922.34
    gamma-valerolactone 7866.51
    n-decanol 313.19
    triethyl phosphate 617.41
    4-methyl-2-pentanol 1145.44
    propionitrile 5778.51
    vinylene carbonate 2344.68
    1,1,2-trichlorotrifluoroethane 3883.81
    DMS 1330.29
    cumene 478.72
    2-octanol 360.78
    2-hexanone 3797.82
    octyl acetate 615.34
    limonene 1171.84
    1,2-dimethoxyethane 6934.17
    ethyl orthosilicate 712.73
    tributyl phosphate 455.41
    diacetone alcohol 2409.51
    N,N-dimethylaniline 837.91
    acrylonitrile 5470.7
    aniline 3597.94
    1,3-propanediol 3104.98
    bromobenzene 4365.07
    dibromomethane 9099.97
    1,1,2,2-tetrachloroethane 9775.93
    2-methyl-cyclohexyl acetate 1140.96
    tetrabutyl urea 565.54
    diisobutyl methanol 831.32
    2-phenylethanol 1617.81
    styrene 1634.93
    dioctyl adipate 618.21
    dimethyl sulfate 1657.44
    ethyl butyrate 3357.58
    methyl lactate 1140.92
    butyl lactate 851.68
    diethyl carbonate 1523.57
    propanediol butyl ether 841.11
    triethyl orthoformate 1578.69
    p-tert-butyltoluene 515.72
    methyl 4-tert-butylbenzoate 595.69
    morpholine 11424.45
    tert-butylamine 3294.53
    n-dodecanol 244.97
    dimethoxymethane 7440.09
    ethylene carbonate 2514.99
    cyrene 584.47
    2-ethoxyethyl acetate 2482.66
    2-ethylhexyl acetate 3110.8
    1,2,4-trichlorobenzene 2347.75
    4-methylpyridine 7547.96
    dibutyl ether 2143.61
    2,6-dimethyl-4-heptanol 831.32
    DEF 7254.82
    dimethyl isosorbide 1576.53
    tetrachloroethylene 6531.32
    eugenol 602.0
    triacetin 999.05
    span 80 787.09
    1,4-butanediol 881.39
    1,1-dichloroethane 10812.18
    2-methyl-1-pentanol 2226.48
    methyl formate 2794.01
    2-methyl-1-butanol 3600.71
    n-decane 108.08
    butyronitrile 6351.23
    3,7-dimethyl-1-octanol 703.12
    1-chlorooctane 565.18
    1-chlorotetradecane 184.26
    n-nonane 120.65
    undecane 74.09
    tert-butylcyclohexane 314.21
    cyclooctane 347.01
    cyclopentanol 2617.01
    tetrahydropyran 12369.8
    tert-amyl methyl ether 3557.0
    2,5,8-trioxanonane 1767.38
    1-hexene 3592.77
    2-isopropoxyethanol 2296.17
    2,2,2-trifluoroethanol 573.79
    methyl butyrate 4223.58

    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