3-Butylpyridine

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    539-32-2

    Molecular formula
    C9H13N

    SMILES
    CCCCC1=CN=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 82.92%
    Earthy 69.07%
    Sweet 63.66%
    Nutty 46.27%
    Fatty 41.86%
    Musty 40.65%
    Animal 39.53%
    Vegetable 35.58%
    Herbal 35.37%
    Roasted 33.72%

     

    Flavor
    Green 62.08%
    Fatty 55.63%
    Fruity 54.84%
    Nutty 49.67%
    Earthy 48.81%
    Woody 47.26%
    Spicy 46.77%
    Floral 43.01%
    Citrus 42.04%
    Herbal 39.38%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    5.29 (weak acid)

    Molecular weight
    135.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 80.00 to 81.00 °C. @ 8.00 mm Hg

    Flash point

    • 71.75 ˚C est.

  • Synonyms

    • 3-Butylpyridine
    • 539-32-2
    • 3-n-Butylpyridine
    • PYRIDINE, 3-BUTYL-
    • 1-(3-Pyridyl)butane
    • 3-butyl-pyridine
    • Fusarinin?
    • Fusarin?
    • EINECS 208-715-1
    • UNII-7I8G7Q77YM
    • BRN 0109540
    • 7I8G7Q77YM
    • DTXSID9060231
    • QSNMFWFDOFQASV-UHFFFAOYSA-
    • 5-20-06-00119 (Beilstein Handbook Reference)
    • 3nButylpyridine
    • 3Butylpyridin
    • 3-butyl pyridine
    • Pyridine, 3butyl
    • 1(3Pyridyl)butane
    • MFCD00010709
    • 3-Butylpyridine, 98%
    • SCHEMBL681571
    • DTXCID4041527
    • CHEBI:173362
    • AKOS015839521
    • AC-7560
    • AS-56660
    • FB167461
    • DB-052429
    • B1193
    • NS00022332
    • F20500
    • A829841
    • Q27268343
    • 208-715-1
    • Y8J

  • Applications

    3-Butylpyridine (CAS 539-32-2) is primarily used as an organic synthesis intermediate, serving as a building block for pharmaceutical and agrochemical compounds as well as for specialty chemicals and fragrance-related derivatives. It is sometimes employed as a precursor in the preparation of nitrogen-containing heterocyclic compounds and as a ligand or reagent in catalytic processes in industrial manufacturing. In some process chemistries, it may function as a pyridine-like solvent or co-solvent, with usage defined by formulation requirements and local regulations. Handling and applications of 3-Butylpyridine are typically defined by supplier specifications and applicable regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2555.87
    methanol 1792.41
    isopropanol 1843.6
    water 0.32
    ethyl acetate 2826.69
    n-propanol 2057.56
    acetone 3562.69
    n-butanol 2115.78
    acetonitrile 2252.96
    DMF 2998.24
    toluene 1089.9
    isobutanol 1624.43
    1,4-dioxane 2484.12
    methyl acetate 1904.79
    THF 3021.58
    2-butanone 2355.04
    n-pentanol 1137.44
    sec-butanol 1351.81
    n-hexane 252.32
    ethylene glycol 295.86
    NMP 1489.84
    cyclohexane 423.97
    DMSO 3151.99
    n-butyl acetate 3165.11
    n-octanol 356.04
    chloroform 5186.43
    n-propyl acetate 1313.93
    acetic acid 1800.36
    dichloromethane 5957.98
    cyclohexanone 3007.11
    propylene glycol 437.31
    isopropyl acetate 1245.87
    DMAc 1278.16
    2-ethoxyethanol 1030.18
    isopentanol 1472.22
    n-heptane 280.72
    ethyl formate 1795.12
    1,2-dichloroethane 3914.86
    n-hexanol 2030.28
    2-methoxyethanol 2394.21
    isobutyl acetate 737.8
    tetrachloromethane 854.21
    n-pentyl acetate 727.03
    transcutol 3374.34
    n-heptanol 468.74
    ethylbenzene 395.51
    MIBK 926.32
    2-propoxyethanol 1970.12
    tert-butanol 1707.3
    MTBE 1621.89
    2-butoxyethanol 756.55
    propionic acid 1438.06
    o-xylene 430.55
    formic acid 314.29
    diethyl ether 2256.3
    m-xylene 569.32
    p-xylene 472.89
    chlorobenzene 1640.59
    dimethyl carbonate 583.27
    n-octane 67.53
    formamide 502.84
    cyclopentanone 2738.46
    2-pentanone 2238.55
    anisole 728.16
    cyclopentyl methyl ether 1692.58
    gamma-butyrolactone 2711.0
    1-methoxy-2-propanol 1601.52
    pyridine 2772.02
    3-pentanone 1398.7
    furfural 2105.25
    n-dodecane 48.28
    diethylene glycol 1000.33
    diisopropyl ether 495.94
    tert-amyl alcohol 1150.88
    acetylacetone 1758.08
    n-hexadecane 54.52
    acetophenone 604.27
    methyl propionate 1736.48
    isopentyl acetate 1891.12
    trichloroethylene 6079.28
    n-nonanol 290.5
    cyclohexanol 1268.95
    benzyl alcohol 603.16
    2-ethylhexanol 1086.0
    isooctanol 329.52
    dipropyl ether 1539.81
    1,2-dichlorobenzene 1191.27
    ethyl lactate 339.64
    propylene carbonate 1679.85
    n-methylformamide 1414.59
    2-pentanol 1170.13
    n-pentane 278.0
    1-propoxy-2-propanol 1594.27
    1-methoxy-2-propyl acetate 1359.29
    2-(2-methoxypropoxy) propanol 484.32
    mesitylene 308.97
    ε-caprolactone 2147.41
    p-cymene 334.0
    epichlorohydrin 3240.87
    1,1,1-trichloroethane 2996.46
    2-aminoethanol 690.3
    morpholine-4-carbaldehyde 1635.55
    sulfolane 2363.41
    2,2,4-trimethylpentane 110.61
    2-methyltetrahydrofuran 2648.06
    n-hexyl acetate 863.24
    isooctane 92.12
    2-(2-butoxyethoxy)ethanol 770.83
    sec-butyl acetate 667.7
    tert-butyl acetate 979.41
    decalin 150.7
    glycerin 484.56
    diglyme 1570.58
    acrylic acid 1024.48
    isopropyl myristate 272.64
    n-butyric acid 2850.71
    acetyl acetate 1122.61
    di(2-ethylhexyl) phthalate 238.65
    ethyl propionate 966.99
    nitromethane 2807.52
    1,2-diethoxyethane 1737.01
    benzonitrile 1143.72
    trioctyl phosphate 194.54
    1-bromopropane 2501.83
    gamma-valerolactone 2874.64
    n-decanol 225.85
    triethyl phosphate 317.46
    4-methyl-2-pentanol 493.28
    propionitrile 1907.08
    vinylene carbonate 1537.93
    1,1,2-trichlorotrifluoroethane 1692.72
    DMS 593.4
    cumene 233.93
    2-octanol 247.13
    2-hexanone 1206.95
    octyl acetate 362.19
    limonene 630.91
    1,2-dimethoxyethane 1938.11
    ethyl orthosilicate 328.77
    tributyl phosphate 268.01
    diacetone alcohol 862.93
    N,N-dimethylaniline 399.23
    acrylonitrile 2093.9
    aniline 1202.34
    1,3-propanediol 1203.17
    bromobenzene 1852.05
    dibromomethane 3980.84
    1,1,2,2-tetrachloroethane 3917.58
    2-methyl-cyclohexyl acetate 606.41
    tetrabutyl urea 336.61
    diisobutyl methanol 470.58
    2-phenylethanol 813.64
    styrene 626.42
    dioctyl adipate 374.69
    dimethyl sulfate 698.72
    ethyl butyrate 1352.64
    methyl lactate 502.08
    butyl lactate 488.94
    diethyl carbonate 711.3
    propanediol butyl ether 519.82
    triethyl orthoformate 687.89
    p-tert-butyltoluene 305.15
    methyl 4-tert-butylbenzoate 399.07
    morpholine 3113.21
    tert-butylamine 1209.97
    n-dodecanol 182.81
    dimethoxymethane 1824.19
    ethylene carbonate 1461.54
    cyrene 350.59
    2-ethoxyethyl acetate 932.8
    2-ethylhexyl acetate 1361.28
    1,2,4-trichlorobenzene 1177.33
    4-methylpyridine 2546.49
    dibutyl ether 791.4
    2,6-dimethyl-4-heptanol 470.58
    DEF 2118.78
    dimethyl isosorbide 833.41
    tetrachloroethylene 2704.58
    eugenol 409.43
    triacetin 523.57
    span 80 475.25
    1,4-butanediol 366.85
    1,1-dichloroethane 3909.47
    2-methyl-1-pentanol 876.45
    methyl formate 1139.97
    2-methyl-1-butanol 1412.99
    n-decane 76.76
    butyronitrile 2471.39
    3,7-dimethyl-1-octanol 410.54
    1-chlorooctane 340.75
    1-chlorotetradecane 131.09
    n-nonane 82.62
    undecane 59.21
    tert-butylcyclohexane 141.89
    cyclooctane 126.91
    cyclopentanol 1198.94
    tetrahydropyran 3242.1
    tert-amyl methyl ether 905.5
    2,5,8-trioxanonane 849.25
    1-hexene 1063.36
    2-isopropoxyethanol 670.99
    2,2,2-trifluoroethanol 381.19
    methyl butyrate 1513.42

    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

Botanical

Name CAS Botanical Proportion
Mandarin (Italy) 8 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.01%