3-Hexylpyridine

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  • Identifiers

    CAS number
    6311-92-8

    Molecular formula
    C11H17N

    SMILES
    CCCCCCC1=CN=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 83.8%
    Earthy 64.58%
    Fatty 49.95%
    Sweet 43.78%
    Vegetable 40.24%
    Nutty 40.06%
    Herbal 35.88%
    Musty 34.48%
    Animal 33.56%
    Metallic 32.82%

     

    Flavor
    Fatty 44.84%
    Green 41.29%
    Fruity 37.24%
    Earthy 32.05%
    Herbal 30.93%
    Waxy 30.1%
    Nutty 29.66%
    Musty 28.4%
    Woody 27.67%
    Fat 26.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    5.99 (weak acid)

    Molecular weight
    163.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 241.00 to 243.00 °C. @ 760.00 mm Hg

    Flash point

    • 100.35 ˚C est.

  • Synonyms

    • 3-HEXYLPYRIDINE
    • 6311-92-8
    • DTXSID00212449
    • NSC 42647
    • RefChem:502220
    • DTXCID50134940
    • 676-822-4
    • 3-N-hexylpyridine
    • Pyridine, 3-hexyl-
    • Pyridine, 3-hexyl
    • MFCD02683071
    • NSC-42647
    • 3-hexyl pyridine
    • 3-hexyl-pyridine
    • NSC42647
    • 3-N-Hexylpyridine,98+%
    • MD353QCV8F
    • SCHEMBL533685
    • SCHEMBL919570
    • SCHEMBL1336571
    • SCHEMBL2090566
    • SCHEMBL4586892
    • SCHEMBL5746451
    • SCHEMBL8198468
    • SCHEMBL8201003
    • CHEBI:173435
    • AKOS016011183
    • SB54451
    • AS-56685
    • CS-0331542
    • ST50824856
    • H52714
    • 6311-92-8

  • Applications

    3-Hexylpyridine (CAS number: 6311-92-8) is primarily employed as a chemical building block in the synthesis of pyridine-containing intermediates for pharmaceutical and agrochemical applications. It can serve as a precursor in fine and specialty chemicals development, enabling the introduction of the lipophilic hexyl substituent to tune properties of downstream compounds. In perfumery and fragrance domains, it may be used as an odorant or fragrance intermediate, contributing to distinctive notes or as a reactive scaffold for formulating complex blends. It is also encountered in polymer and coating contexts as a starting material or functionalized pyridine unit for specialty materials and ligands in catalysis. In research settings, it is used as a reactive intermediate and reference compound in synthetic method development and analytical method validation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9470.09
    methanol 8306.63
    isopropanol 5820.14
    water 0.13
    ethyl acetate 16891.54
    n-propanol 7378.37
    acetone 19398.2
    n-butanol 7178.22
    acetonitrile 11300.74
    DMF 10468.55
    toluene 4605.98
    isobutanol 5428.53
    1,4-dioxane 10453.93
    methyl acetate 8874.07
    THF 11369.48
    2-butanone 11895.8
    n-pentanol 4016.27
    sec-butanol 4666.68
    n-hexane 1368.13
    ethylene glycol 726.97
    NMP 3642.64
    cyclohexane 1758.77
    DMSO 12236.37
    n-butyl acetate 12274.75
    n-octanol 762.83
    chloroform 13414.31
    n-propyl acetate 6261.67
    acetic acid 4620.5
    dichloromethane 16935.46
    cyclohexanone 10644.65
    propylene glycol 1057.33
    isopropyl acetate 7010.88
    DMAc 4536.34
    2-ethoxyethanol 4676.06
    isopentanol 5598.46
    n-heptane 723.81
    ethyl formate 6004.78
    1,2-dichloroethane 15708.09
    n-hexanol 5456.68
    2-methoxyethanol 10076.64
    isobutyl acetate 3135.49
    tetrachloromethane 2177.1
    n-pentyl acetate 2420.63
    transcutol 14232.36
    n-heptanol 1036.27
    ethylbenzene 1356.89
    MIBK 4413.07
    2-propoxyethanol 7127.6
    tert-butanol 6415.02
    MTBE 9330.37
    2-butoxyethanol 2072.92
    propionic acid 4039.0
    o-xylene 1515.61
    formic acid 856.51
    diethyl ether 16438.59
    m-xylene 2023.92
    p-xylene 1435.96
    chlorobenzene 4941.12
    dimethyl carbonate 2080.89
    n-octane 170.17
    formamide 1663.85
    cyclopentanone 8901.79
    2-pentanone 11927.38
    anisole 2619.69
    cyclopentyl methyl ether 7359.14
    gamma-butyrolactone 7999.67
    1-methoxy-2-propanol 6348.16
    pyridine 9827.63
    3-pentanone 7715.87
    furfural 5535.24
    n-dodecane 88.24
    diethylene glycol 2971.43
    diisopropyl ether 2973.44
    tert-amyl alcohol 4237.14
    acetylacetone 8469.72
    n-hexadecane 106.49
    acetophenone 1867.03
    methyl propionate 8603.76
    isopentyl acetate 7330.65
    trichloroethylene 19002.51
    n-nonanol 648.48
    cyclohexanol 4283.5
    benzyl alcohol 1872.34
    2-ethylhexanol 2970.97
    isooctanol 807.35
    dipropyl ether 7254.88
    1,2-dichlorobenzene 3289.52
    ethyl lactate 1005.7
    propylene carbonate 4246.45
    n-methylformamide 5098.18
    2-pentanol 4444.34
    n-pentane 1167.13
    1-propoxy-2-propanol 5432.23
    1-methoxy-2-propyl acetate 5485.89
    2-(2-methoxypropoxy) propanol 1240.78
    mesitylene 1053.76
    ε-caprolactone 7367.09
    p-cymene 853.24
    epichlorohydrin 11258.89
    1,1,1-trichloroethane 10023.3
    2-aminoethanol 1984.54
    morpholine-4-carbaldehyde 5265.88
    sulfolane 7075.09
    2,2,4-trimethylpentane 357.74
    2-methyltetrahydrofuran 10191.12
    n-hexyl acetate 2656.37
    isooctane 321.77
    2-(2-butoxyethoxy)ethanol 2345.89
    sec-butyl acetate 3341.49
    tert-butyl acetate 5291.9
    decalin 492.41
    glycerin 1130.81
    diglyme 5231.21
    acrylic acid 2471.0
    isopropyl myristate 748.08
    n-butyric acid 8854.16
    acetyl acetate 4850.79
    di(2-ethylhexyl) phthalate 494.75
    ethyl propionate 4566.12
    nitromethane 9964.6
    1,2-diethoxyethane 10308.37
    benzonitrile 3262.03
    trioctyl phosphate 399.77
    1-bromopropane 10154.78
    gamma-valerolactone 9941.18
    n-decanol 473.06
    triethyl phosphate 865.21
    4-methyl-2-pentanol 1740.75
    propionitrile 7959.67
    vinylene carbonate 3483.28
    1,1,2-trichlorotrifluoroethane 4776.9
    DMS 1917.54
    cumene 716.21
    2-octanol 575.54
    2-hexanone 5492.61
    octyl acetate 935.73
    limonene 1751.14
    1,2-dimethoxyethane 9194.28
    ethyl orthosilicate 1007.14
    tributyl phosphate 674.08
    diacetone alcohol 3534.09
    N,N-dimethylaniline 1208.89
    acrylonitrile 7424.2
    aniline 4411.13
    1,3-propanediol 3697.02
    bromobenzene 5874.96
    dibromomethane 12112.57
    1,1,2,2-tetrachloroethane 12627.24
    2-methyl-cyclohexyl acetate 1698.48
    tetrabutyl urea 814.29
    diisobutyl methanol 1283.44
    2-phenylethanol 2235.02
    styrene 2305.98
    dioctyl adipate 871.72
    dimethyl sulfate 2199.81
    ethyl butyrate 5412.68
    methyl lactate 1517.17
    butyl lactate 1329.28
    diethyl carbonate 2387.36
    propanediol butyl ether 1207.11
    triethyl orthoformate 2365.22
    p-tert-butyltoluene 781.53
    methyl 4-tert-butylbenzoate 880.13
    morpholine 13186.35
    tert-butylamine 4650.94
    n-dodecanol 366.18
    dimethoxymethane 9317.4
    ethylene carbonate 3776.29
    cyrene 772.78
    2-ethoxyethyl acetate 3630.68
    2-ethylhexyl acetate 5054.37
    1,2,4-trichlorobenzene 3196.63
    4-methylpyridine 9959.12
    dibutyl ether 3352.9
    2,6-dimethyl-4-heptanol 1283.44
    DEF 10012.78
    dimethyl isosorbide 2129.33
    tetrachloroethylene 8316.07
    eugenol 887.01
    triacetin 1441.39
    span 80 1081.15
    1,4-butanediol 1057.4
    1,1-dichloroethane 14627.69
    2-methyl-1-pentanol 3130.18
    methyl formate 3719.36
    2-methyl-1-butanol 4967.16
    n-decane 174.38
    butyronitrile 9639.35
    3,7-dimethyl-1-octanol 1097.38
    1-chlorooctane 867.61
    1-chlorotetradecane 276.3
    n-nonane 198.69
    undecane 119.53
    tert-butylcyclohexane 467.5
    cyclooctane 480.89
    cyclopentanol 3226.41
    tetrahydropyran 14978.15
    tert-amyl methyl ether 4829.94
    2,5,8-trioxanonane 2326.87
    1-hexene 5154.31
    2-isopropoxyethanol 2854.35
    2,2,2-trifluoroethanol 822.42
    methyl butyrate 6430.95

    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