2-Hexylpyridine

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  • Identifiers

    CAS number
    1129-69-7

    Molecular formula
    C11H17N

    SMILES
    CCCCCCC1=CC=CC=N1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 87.85%
    Fatty 65.54%
    Earthy 56.56%
    Vegetable 56.52%
    Herbal 47.28%
    Nutty 42.45%
    Metallic 36.61%
    Fishy 34.55%
    Sweet 34.16%
    Meaty 34.14%

     

    Flavor
    Green 84.23%
    Fatty 63.05%
    Herbal 54.97%
    Pepper 39.92%
    Fat 39.49%
    Mushroom 38.21%
    Earthy 37.51%
    Fruity 35.64%
    Vegetable 35.24%
    Nutty 34.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    6.01 (neutral)

    Molecular weight
    163.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    238°C

    Flash point

    • 97.44 ˚C est.

  • Synonyms

    • 2-Hexylpyridine
    • 1129-69-7
    • Pyridine, 2-hexyl-
    • 2-n-Hexylpyridine
    • 2-(n-Hexyl)pyridine
    • 2-HEXYL-PYRIDINE
    • EINECS 214-454-4
    • BRN 0114710
    • AI3-24115
    • Pyridine, 2-(n-hexyl)-
    • DTXSID10150207
    • 2-C6H13(c-C5H4N)
    • 5-20-06-00161 (Beilstein Handbook Reference)
    • MFCD00023552
    • SCHEMBL733452
    • 64D57S7HGV
    • DTXCID5072698
    • FEMA NO. 4948
    • FEMA 4948
    • CHEBI:195229
    • AKOS006228412
    • FH35632
    • AS-56684
    • DB-021154
    • CS-0152299
    • NS00021531
    • D83986
    • Q63398212
    • 214-454-4

  • Applications

    2-Hexylpyridine (CAS 1129-69-7) is mainly used as a building block in organic synthesis for specialty chemicals across several industries; in fragrance and cosmetics it can serve as an odorant or fragrance component, occasionally contributing leafy, spicy, or woody notes. It is commonly evaluated as an intermediate in pharmaceutical and agrochemical manufacturing, enabling the construction of more complex molecules. In industrial manufacturing it may be employed as a reaction solvent or versatile building block for resin and coating formulations, and in coatings/inks and polymers it can serve as an intermediate to introduce pyridyl functionality into advanced materials. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7708.19
    methanol 7215.5
    isopropanol 4726.69
    water 0.09
    ethyl acetate 13208.1
    n-propanol 6103.85
    acetone 19332.32
    n-butanol 6153.22
    acetonitrile 9761.86
    DMF 9849.66
    toluene 4766.49
    isobutanol 4446.26
    1,4-dioxane 9807.0
    methyl acetate 7806.01
    THF 11924.05
    2-butanone 11437.11
    n-pentanol 3575.79
    sec-butanol 4134.93
    n-hexane 1939.59
    ethylene glycol 600.04
    NMP 4305.09
    cyclohexane 2204.89
    DMSO 14035.99
    n-butyl acetate 10846.8
    n-octanol 861.38
    chloroform 14116.82
    n-propyl acetate 5677.07
    acetic acid 3849.46
    dichloromethane 17962.35
    cyclohexanone 11149.65
    propylene glycol 899.5
    isopropyl acetate 5713.36
    DMAc 4885.61
    2-ethoxyethanol 3793.61
    isopentanol 4687.91
    n-heptane 901.51
    ethyl formate 4926.29
    1,2-dichloroethane 15666.08
    n-hexanol 4862.91
    2-methoxyethanol 8067.81
    isobutyl acetate 2744.58
    tetrachloromethane 2307.13
    n-pentyl acetate 2533.48
    transcutol 13743.89
    n-heptanol 1010.14
    ethylbenzene 1434.25
    MIBK 3961.2
    2-propoxyethanol 6040.72
    tert-butanol 5053.97
    MTBE 8241.39
    2-butoxyethanol 1886.4
    propionic acid 3456.83
    o-xylene 1503.01
    formic acid 676.48
    diethyl ether 15573.08
    m-xylene 1971.44
    p-xylene 1530.28
    chlorobenzene 5080.22
    dimethyl carbonate 1833.53
    n-octane 217.92
    formamide 1292.65
    cyclopentanone 9469.01
    2-pentanone 10880.78
    anisole 2697.04
    cyclopentyl methyl ether 7325.14
    gamma-butyrolactone 7750.93
    1-methoxy-2-propanol 5195.92
    pyridine 9937.32
    3-pentanone 7347.79
    furfural 5180.46
    n-dodecane 114.6
    diethylene glycol 2479.57
    diisopropyl ether 2710.47
    tert-amyl alcohol 3726.94
    acetylacetone 7765.99
    n-hexadecane 138.67
    acetophenone 1920.77
    methyl propionate 7052.32
    isopentyl acetate 6471.1
    trichloroethylene 18198.29
    n-nonanol 737.35
    cyclohexanol 4132.2
    benzyl alcohol 1808.05
    2-ethylhexanol 2782.12
    isooctanol 782.88
    dipropyl ether 6760.06
    1,2-dichlorobenzene 3290.03
    ethyl lactate 927.89
    propylene carbonate 3856.53
    n-methylformamide 4141.39
    2-pentanol 3780.58
    n-pentane 1412.9
    1-propoxy-2-propanol 4668.17
    1-methoxy-2-propyl acetate 4765.2
    2-(2-methoxypropoxy) propanol 1272.8
    mesitylene 1040.36
    ε-caprolactone 7143.65
    p-cymene 839.56
    epichlorohydrin 10690.91
    1,1,1-trichloroethane 9340.31
    2-aminoethanol 1563.02
    morpholine-4-carbaldehyde 5153.49
    sulfolane 7894.17
    2,2,4-trimethylpentane 385.65
    2-methyltetrahydrofuran 10707.89
    n-hexyl acetate 2972.68
    isooctane 315.69
    2-(2-butoxyethoxy)ethanol 2317.98
    sec-butyl acetate 2980.22
    tert-butyl acetate 4373.56
    decalin 602.91
    glycerin 950.87
    diglyme 4970.76
    acrylic acid 2203.33
    isopropyl myristate 838.87
    n-butyric acid 7224.78
    acetyl acetate 4126.93
    di(2-ethylhexyl) phthalate 560.1
    ethyl propionate 4176.8
    nitromethane 8603.28
    1,2-diethoxyethane 10214.8
    benzonitrile 3174.46
    trioctyl phosphate 450.61
    1-bromopropane 10843.39
    gamma-valerolactone 9010.85
    n-decanol 536.86
    triethyl phosphate 872.69
    4-methyl-2-pentanol 1479.0
    propionitrile 7112.17
    vinylene carbonate 3180.22
    1,1,2-trichlorotrifluoroethane 4532.84
    DMS 2005.62
    cumene 740.56
    2-octanol 618.69
    2-hexanone 5500.1
    octyl acetate 1028.72
    limonene 1825.24
    1,2-dimethoxyethane 8400.42
    ethyl orthosilicate 999.48
    tributyl phosphate 749.73
    diacetone alcohol 2987.75
    N,N-dimethylaniline 1272.64
    acrylonitrile 6454.51
    aniline 4369.82
    1,3-propanediol 2963.17
    bromobenzene 6271.94
    dibromomethane 13058.68
    1,1,2,2-tetrachloroethane 12669.49
    2-methyl-cyclohexyl acetate 1688.37
    tetrabutyl urea 956.83
    diisobutyl methanol 1186.59
    2-phenylethanol 2143.96
    styrene 2465.9
    dioctyl adipate 1015.13
    dimethyl sulfate 2223.44
    ethyl butyrate 4842.42
    methyl lactate 1349.91
    butyl lactate 1386.82
    diethyl carbonate 2183.12
    propanediol butyl ether 1253.87
    triethyl orthoformate 2221.42
    p-tert-butyltoluene 764.27
    methyl 4-tert-butylbenzoate 909.98
    morpholine 12248.61
    tert-butylamine 3682.24
    n-dodecanol 418.36
    dimethoxymethane 8250.04
    ethylene carbonate 3436.3
    cyrene 805.62
    2-ethoxyethyl acetate 3542.72
    2-ethylhexyl acetate 4720.33
    1,2,4-trichlorobenzene 3294.27
    4-methylpyridine 9565.42
    dibutyl ether 3923.31
    2,6-dimethyl-4-heptanol 1186.59
    DEF 9132.49
    dimethyl isosorbide 2170.24
    tetrachloroethylene 8330.85
    eugenol 902.48
    triacetin 1580.61
    span 80 1188.93
    1,4-butanediol 912.58
    1,1-dichloroethane 13488.31
    2-methyl-1-pentanol 2817.37
    methyl formate 3106.73
    2-methyl-1-butanol 4412.14
    n-decane 228.33
    butyronitrile 8273.52
    3,7-dimethyl-1-octanol 1150.55
    1-chlorooctane 1050.07
    1-chlorotetradecane 343.89
    n-nonane 262.65
    undecane 153.24
    tert-butylcyclohexane 540.4
    cyclooctane 588.86
    cyclopentanol 3180.65
    tetrahydropyran 14782.28
    tert-amyl methyl ether 4563.11
    2,5,8-trioxanonane 2336.1
    1-hexene 5935.17
    2-isopropoxyethanol 2394.38
    2,2,2-trifluoroethanol 695.57
    methyl butyrate 5997.66

    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