4-Butylpyridine

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  • Identifiers

    CAS number
    5335-75-1

    Molecular formula
    C9H13N

    SMILES
    CCCCC1=CC=NC=C1

    Safety labels

  • Odor profile

    Fragrance
    Green 88.71%
    Sweet 63.38%
    Earthy 60.96%
    Fatty 53.6%
    Herbal 52.64%
    Vegetable 44.21%
    Nutty 43.65%
    Fishy 38.96%
    Animal 35.99%
    Musty 34.55%

     

    Flavor
    Green 83.36%
    Fatty 64.56%
    Herbal 52.15%
    Nutty 48.5%
    Fruity 41.64%
    Earthy 40.24%
    Spicy 38.77%
    Pepper 38.45%
    Vegetable 37.93%
    Fat 36.22%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    5.94 (weak acid)

    Molecular weight
    135.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    206°C

    Flash point

    • 75.75 ˚C est.

  • Synonyms

    • 4-Butylpyridine
    • 5335-75-1
    • Pyridine, 4-butyl-
    • 4-Butyl pyridine
    • UNII-84YCH4G36W
    • 84YCH4G36W
    • Pyridine, 4-n-butyl
    • NSC-970
    • DTXSID60201511
    • NSC 970
    • RefChem:98258
    • DTXCID90124002
    • LWMDPZVQAMQFOC-UHFFFAOYSA-N
    • MFCD00129015
    • 4-butyl-pyridine
    • 4-n-butylpyridine
    • NSC970
    • SCHEMBL294392
    • SCHEMBL346623
    • SCHEMBL1447729
    • SCHEMBL1447730
    • SCHEMBL2252883
    • SCHEMBL8183978
    • SCHEMBL27533246
    • SCHEMBL27577717
    • AKOS006273588
    • BL000376
    • DS-18604
    • SY108208
    • CS-0186972
    • F229043
    • Q27269564
    • 5335-75-1

  • Applications

    4-Butylpyridine is primarily used as an intermediate in the synthesis of pyridine-containing compounds, serving as a precursor for pharmaceuticals, agricultural chemicals, and dyes. It also functions as a building block for ligand systems in metal-catalyzed processes and for functional materials. In organic synthesis, it can be used as a solvent or reaction medium due to the basicity of the pyridine ring and its solubility characteristics. It is also a precursor for pyridine-containing monomers and for applications in polymerization or as a component of catalysts in polymer synthesis. Its use is subject to local regulations and formulation limits. Chemical name: 4-Butylpyridine; CAS number: 5335-75-1.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2755.09
    methanol 2387.11
    isopropanol 1839.71
    water 0.27
    ethyl acetate 3457.88
    n-propanol 2382.25
    acetone 4831.17
    n-butanol 2122.73
    acetonitrile 2690.19
    DMF 4356.39
    toluene 1621.17
    isobutanol 1659.33
    1,4-dioxane 2832.73
    methyl acetate 2808.15
    THF 3688.0
    2-butanone 3514.6
    n-pentanol 1159.27
    sec-butanol 1467.59
    n-hexane 204.14
    ethylene glycol 456.04
    NMP 3444.22
    cyclohexane 326.83
    DMSO 8440.93
    n-butyl acetate 3294.37
    n-octanol 319.79
    chloroform 5981.35
    n-propyl acetate 1635.11
    acetic acid 1973.73
    dichloromethane 7469.56
    cyclohexanone 4385.8
    propylene glycol 685.77
    isopropyl acetate 1312.87
    DMAc 2022.66
    2-ethoxyethanol 1301.46
    isopentanol 1374.12
    n-heptane 201.61
    ethyl formate 2105.61
    1,2-dichloroethane 5424.34
    n-hexanol 1846.6
    2-methoxyethanol 3211.73
    isobutyl acetate 775.15
    tetrachloromethane 1106.76
    n-pentyl acetate 768.83
    transcutol 4777.17
    n-heptanol 406.96
    ethylbenzene 503.66
    MIBK 1044.02
    2-propoxyethanol 2343.87
    tert-butanol 1769.72
    MTBE 1578.86
    2-butoxyethanol 786.32
    propionic acid 2255.82
    o-xylene 699.82
    formic acid 475.19
    diethyl ether 2008.13
    m-xylene 798.01
    p-xylene 606.95
    chlorobenzene 2427.09
    dimethyl carbonate 812.58
    n-octane 43.14
    formamide 990.84
    cyclopentanone 4852.23
    2-pentanone 2914.22
    anisole 970.49
    cyclopentyl methyl ether 2404.63
    gamma-butyrolactone 5052.09
    1-methoxy-2-propanol 1990.92
    pyridine 3828.04
    3-pentanone 2064.57
    furfural 3318.67
    n-dodecane 28.4
    diethylene glycol 1168.63
    diisopropyl ether 439.78
    tert-amyl alcohol 1334.81
    acetylacetone 2427.29
    n-hexadecane 33.97
    acetophenone 864.37
    methyl propionate 2681.5
    isopentyl acetate 1956.33
    trichloroethylene 8225.35
    n-nonanol 264.84
    cyclohexanol 1563.87
    benzyl alcohol 843.2
    2-ethylhexanol 969.48
    isooctanol 292.74
    dipropyl ether 1495.21
    1,2-dichlorobenzene 1772.15
    ethyl lactate 412.9
    propylene carbonate 2265.57
    n-methylformamide 2985.71
    2-pentanol 1133.28
    n-pentane 186.07
    1-propoxy-2-propanol 1794.34
    1-methoxy-2-propyl acetate 1746.97
    2-(2-methoxypropoxy) propanol 556.9
    mesitylene 392.12
    ε-caprolactone 3174.06
    p-cymene 389.37
    epichlorohydrin 4984.43
    1,1,1-trichloroethane 3881.84
    2-aminoethanol 1053.05
    morpholine-4-carbaldehyde 2752.87
    sulfolane 5665.32
    2,2,4-trimethylpentane 89.36
    2-methyltetrahydrofuran 3787.08
    n-hexyl acetate 967.8
    isooctane 69.58
    2-(2-butoxyethoxy)ethanol 1006.35
    sec-butyl acetate 775.39
    tert-butyl acetate 1142.49
    decalin 147.98
    glycerin 708.93
    diglyme 1991.55
    acrylic acid 1684.8
    isopropyl myristate 278.97
    n-butyric acid 3091.99
    acetyl acetate 1257.32
    di(2-ethylhexyl) phthalate 262.73
    ethyl propionate 1243.6
    nitromethane 4640.67
    1,2-diethoxyethane 2184.14
    benzonitrile 1575.53
    trioctyl phosphate 207.76
    1-bromopropane 2498.7
    gamma-valerolactone 4616.21
    n-decanol 204.64
    triethyl phosphate 360.34
    4-methyl-2-pentanol 453.24
    propionitrile 2372.62
    vinylene carbonate 1964.63
    1,1,2-trichlorotrifluoroethane 2663.7
    DMS 860.84
    cumene 275.58
    2-octanol 233.69
    2-hexanone 1470.79
    octyl acetate 384.48
    limonene 722.24
    1,2-dimethoxyethane 2134.47
    ethyl orthosilicate 374.51
    tributyl phosphate 324.41
    diacetone alcohol 1146.68
    N,N-dimethylaniline 509.87
    acrylonitrile 3002.26
    aniline 2010.79
    1,3-propanediol 1525.43
    bromobenzene 2776.35
    dibromomethane 4770.64
    1,1,2,2-tetrachloroethane 5558.26
    2-methyl-cyclohexyl acetate 702.5
    tetrabutyl urea 408.26
    diisobutyl methanol 430.26
    2-phenylethanol 1000.42
    styrene 822.06
    dioctyl adipate 405.53
    dimethyl sulfate 1288.47
    ethyl butyrate 1542.91
    methyl lactate 717.96
    butyl lactate 569.45
    diethyl carbonate 796.11
    propanediol butyl ether 638.06
    triethyl orthoformate 735.88
    p-tert-butyltoluene 338.62
    methyl 4-tert-butylbenzoate 456.54
    morpholine 3928.11
    tert-butylamine 1164.16
    n-dodecanol 158.74
    dimethoxymethane 2286.76
    ethylene carbonate 1799.61
    cyrene 443.78
    2-ethoxyethyl acetate 1225.23
    2-ethylhexyl acetate 1470.58
    1,2,4-trichlorobenzene 1919.13
    4-methylpyridine 3474.65
    dibutyl ether 758.41
    2,6-dimethyl-4-heptanol 430.26
    DEF 2876.39
    dimethyl isosorbide 1106.76
    tetrachloroethylene 3841.12
    eugenol 477.52
    triacetin 657.24
    span 80 533.19
    1,4-butanediol 455.57
    1,1-dichloroethane 4512.29
    2-methyl-1-pentanol 857.7
    methyl formate 2065.63
    2-methyl-1-butanol 1380.29
    n-decane 48.82
    butyronitrile 2403.4
    3,7-dimethyl-1-octanol 423.36
    1-chlorooctane 310.63
    1-chlorotetradecane 105.93
    n-nonane 52.66
    undecane 35.99
    tert-butylcyclohexane 139.43
    cyclooctane 103.5
    cyclopentanol 1791.25
    tetrahydropyran 3722.87
    tert-amyl methyl ether 976.93
    2,5,8-trioxanonane 1039.82
    1-hexene 857.38
    2-isopropoxyethanol 806.3
    2,2,2-trifluoroethanol 494.72
    methyl butyrate 1894.53

    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