2-Butylpyridine

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  • Identifiers

    CAS number
    5058-19-5

    Molecular formula
    C9H13N

    SMILES
    CCCCC1=CC=CC=N1

  • Odor profile

    Fragrance
    Green 86.81%
    Fatty 56.58%
    Earthy 56.12%
    Sweet 51.49%
    Vegetable 50.66%
    Herbal 48.13%
    Nutty 45.17%
    Fishy 38.72%
    Animal 36.11%
    Musty 35.13%

     

    Flavor
    Green 91.54%
    Fatty 64.07%
    Herbal 55.05%
    Nutty 46.82%
    Pepper 43.87%
    Vegetable 43.45%
    Earthy 41.31%
    Fat 33.92%
    Mushroom 33.9%
    Spicy 33.6%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    5.32 (weak acid)

    Molecular weight
    135.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    197°C

    Flash point

    • 65.77 ˚C est.

  • Synonyms

    • 2-Butylpyridine
    • 5058-19-5
    • 2-Butyl-pyridine
    • Pyridine, 2-butyl-
    • UNII-54XCM5F4F7
    • 54XCM5F4F7
    • NSC-969
    • EINECS 225-758-1
    • DTXSID00198597
    • NSC 969
    • butylpyridine
    • NSC969
    • SCHEMBL64052
    • DTXCID60121088
    • AKOS006272770
    • AC-7561
    • SB54898
    • DB-020753
    • NS00022254
    • Q21546972
    • 225-758-1

  • Applications

    2-Butylpyridine (CAS 5058-19-5) is primarily used as an intermediate in the synthesis of heterocyclic compounds and active ingredients for pharmaceutical and agrochemical applications. It serves as a building block for related pyridine derivatives and can function as a ligand precursor in homogeneous catalysis and other synthetic transformations. In process chemistry, it may be employed as a reagent or solvent/co-solvent in organic synthesis and scale-up. It is also evaluated as a precursor for specialty chemicals and materials used in research and development within coatings, dyes, and related industrial sectors. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1868.81
    methanol 1667.45
    isopropanol 1222.88
    water 0.26
    ethyl acetate 1611.13
    n-propanol 1452.53
    acetone 1972.04
    n-butanol 1497.91
    acetonitrile 1337.06
    DMF 1906.89
    toluene 1018.27
    isobutanol 1056.14
    1,4-dioxane 2042.79
    methyl acetate 1092.31
    THF 2194.74
    2-butanone 1367.66
    n-pentanol 1006.6
    sec-butanol 970.48
    n-hexane 401.9
    ethylene glycol 236.3
    NMP 1054.46
    cyclohexane 588.49
    DMSO 2364.06
    n-butyl acetate 2176.21
    n-octanol 400.74
    chloroform 4863.27
    n-propyl acetate 863.01
    acetic acid 1191.63
    dichloromethane 4586.29
    cyclohexanone 2073.46
    propylene glycol 346.87
    isopropyl acetate 750.87
    DMAc 988.62
    2-ethoxyethanol 744.18
    isopentanol 1017.97
    n-heptane 390.64
    ethyl formate 1054.76
    1,2-dichloroethane 2632.17
    n-hexanol 1811.99
    2-methoxyethanol 1493.8
    isobutyl acetate 531.4
    tetrachloromethane 769.02
    n-pentyl acetate 581.4
    transcutol 2640.24
    n-heptanol 438.01
    ethylbenzene 416.56
    MIBK 586.13
    2-propoxyethanol 1506.56
    tert-butanol 1128.41
    MTBE 1082.85
    2-butoxyethanol 626.04
    propionic acid 904.51
    o-xylene 383.35
    formic acid 218.86
    diethyl ether 1749.27
    m-xylene 483.89
    p-xylene 473.16
    chlorobenzene 1405.98
    dimethyl carbonate 365.51
    n-octane 97.7
    formamide 306.15
    cyclopentanone 1715.99
    2-pentanone 1328.1
    anisole 644.1
    cyclopentyl methyl ether 1238.23
    gamma-butyrolactone 1630.81
    1-methoxy-2-propanol 1039.94
    pyridine 2372.0
    3-pentanone 909.03
    furfural 1416.21
    n-dodecane 69.34
    diethylene glycol 755.96
    diisopropyl ether 382.74
    tert-amyl alcohol 777.11
    acetylacetone 1017.38
    n-hexadecane 78.08
    acetophenone 521.32
    methyl propionate 1011.1
    isopentyl acetate 1312.98
    trichloroethylene 4248.5
    n-nonanol 322.05
    cyclohexanol 1039.46
    benzyl alcohol 554.03
    2-ethylhexanol 997.51
    isooctanol 301.0
    dipropyl ether 1355.89
    1,2-dichlorobenzene 939.14
    ethyl lactate 260.95
    propylene carbonate 1092.2
    n-methylformamide 834.05
    2-pentanol 851.53
    n-pentane 360.34
    1-propoxy-2-propanol 1168.74
    1-methoxy-2-propyl acetate 912.29
    2-(2-methoxypropoxy) propanol 440.07
    mesitylene 265.24
    ε-caprolactone 1515.64
    p-cymene 306.01
    epichlorohydrin 1993.84
    1,1,1-trichloroethane 2093.94
    2-aminoethanol 516.27
    morpholine-4-carbaldehyde 1142.23
    sulfolane 1529.33
    2,2,4-trimethylpentane 106.59
    2-methyltetrahydrofuran 1842.38
    n-hexyl acetate 744.17
    isooctane 87.58
    2-(2-butoxyethoxy)ethanol 665.53
    sec-butyl acetate 472.15
    tert-butyl acetate 589.84
    decalin 175.46
    glycerin 376.31
    diglyme 1291.3
    acrylic acid 682.14
    isopropyl myristate 263.31
    n-butyric acid 1814.75
    acetyl acetate 701.3
    di(2-ethylhexyl) phthalate 235.83
    ethyl propionate 636.15
    nitromethane 1422.24
    1,2-diethoxyethane 1406.14
    benzonitrile 1045.78
    trioctyl phosphate 186.47
    1-bromopropane 2010.49
    gamma-valerolactone 1782.27
    n-decanol 244.53
    triethyl phosphate 269.11
    4-methyl-2-pentanol 357.27
    propionitrile 1351.85
    vinylene carbonate 1045.32
    1,1,2-trichlorotrifluoroethane 1163.06
    DMS 474.1
    cumene 230.66
    2-octanol 259.27
    2-hexanone 903.68
    octyl acetate 336.97
    limonene 563.07
    1,2-dimethoxyethane 1500.07
    ethyl orthosilicate 283.18
    tributyl phosphate 245.99
    diacetone alcohol 525.42
    N,N-dimethylaniline 370.86
    acrylonitrile 1347.17
    aniline 1045.39
    1,3-propanediol 792.11
    bromobenzene 1602.26
    dibromomethane 3307.74
    1,1,2,2-tetrachloroethane 2922.1
    2-methyl-cyclohexyl acetate 498.91
    tetrabutyl urea 331.98
    diisobutyl methanol 389.7
    2-phenylethanol 756.1
    styrene 661.46
    dioctyl adipate 354.2
    dimethyl sulfate 429.91
    ethyl butyrate 991.04
    methyl lactate 339.48
    butyl lactate 400.77
    diethyl carbonate 554.05
    propanediol butyl ether 462.21
    triethyl orthoformate 558.92
    p-tert-butyltoluene 275.64
    methyl 4-tert-butylbenzoate 348.52
    morpholine 2360.14
    tert-butylamine 870.26
    n-dodecanol 199.13
    dimethoxymethane 1232.52
    ethylene carbonate 958.33
    cyrene 291.78
    2-ethoxyethyl acetate 685.38
    2-ethylhexyl acetate 1021.31
    1,2,4-trichlorobenzene 951.6
    4-methylpyridine 2095.98
    dibutyl ether 809.96
    2,6-dimethyl-4-heptanol 389.7
    DEF 1428.35
    dimethyl isosorbide 674.22
    tetrachloroethylene 2123.31
    eugenol 369.8
    triacetin 449.57
    span 80 462.0
    1,4-butanediol 298.12
    1,1-dichloroethane 2705.78
    2-methyl-1-pentanol 726.41
    methyl formate 640.1
    2-methyl-1-butanol 1004.03
    n-decane 109.39
    butyronitrile 1710.15
    3,7-dimethyl-1-octanol 396.15
    1-chlorooctane 379.13
    1-chlorotetradecane 154.25
    n-nonane 121.99
    undecane 84.64
    tert-butylcyclohexane 152.85
    cyclooctane 170.12
    cyclopentanol 888.63
    tetrahydropyran 2509.45
    tert-amyl methyl ether 654.29
    2,5,8-trioxanonane 758.08
    1-hexene 1246.5
    2-isopropoxyethanol 489.29
    2,2,2-trifluoroethanol 229.81
    methyl butyrate 992.34

    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