4-Pentylpyridine

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  • Identifiers

    CAS number
    2961-50-4

    Molecular formula
    C10H15N

    SMILES
    CCCCCC1=CC=NC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 89.05%
    Earthy 60.49%
    Fatty 59.52%
    Sweet 52.67%
    Herbal 50.87%
    Vegetable 47.71%
    Nutty 41.9%
    Fishy 37.68%
    Metallic 34.31%
    Musty 32.69%

     

    Flavor
    Green 77.03%
    Fatty 63.68%
    Herbal 48.69%
    Fruity 41.68%
    Nutty 40.84%
    Fat 38.21%
    Earthy 36.06%
    Pepper 35.16%
    Mushroom 34.25%
    Floral 34.2%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.22 (neutral)

    Molecular weight
    149.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    227°C

    Flash point

    • 90.1 ˚C est.

  • Synonyms

    • 4-Pentylpyridine
    • 2961-50-4
    • 4-Amylpyridine
    • Pyridine, 4-pentyl-
    • 1-(4-Pyridyl)pentane
    • 4-n-Pentylpyridine
    • P-AMYLPYRIDINE
    • 4-N-AMYLPYRIDINE
    • TUX2DXO6PF
    • 4-pentyl-pyridine
    • NSC-4694
    • EINECS 220-994-1
    • AI3-24360
    • DTXSID70183793
    • NSC 4694
    • 4-Amylpridine
    • NSC4694
    • MFCD02093422
    • UNII-TUX2DXO6PF
    • SCHEMBL369568
    • DTXCID10106284
    • AKOS016007879
    • SB52460
    • AS-57180
    • A1498
    • NS00028735
    • T70725
    • Q63391567
    • 220-994-1

  • Applications

    4-Pentylpyridine (CAS 2961-50-4) is primarily used as a synthetic intermediate for pyridine-containing compounds and is commonly evaluated as a building block in the synthesis of specialty chemicals across pharmaceuticals, agrochemicals, and materials. It can serve as a precursor for pyridine-based ligands in catalysis and for dyes or monomers used in polymers and organic electronics. In fragrance chemistry, it may be explored as an odorant or fragrance-building block. In coordination chemistry research, it can function as a ligand precursor for catalytic applications. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6401.0
    methanol 5457.95
    isopropanol 3713.83
    water 0.2
    ethyl acetate 8788.77
    n-propanol 4991.56
    acetone 8789.58
    n-butanol 4552.77
    acetonitrile 5094.84
    DMF 6206.45
    toluene 3258.67
    isobutanol 3356.1
    1,4-dioxane 6854.27
    methyl acetate 4797.78
    THF 7082.51
    2-butanone 6068.41
    n-pentanol 2504.44
    sec-butanol 2888.62
    n-hexane 601.25
    ethylene glycol 662.85
    NMP 2689.31
    cyclohexane 1052.63
    DMSO 8036.5
    n-butyl acetate 6356.96
    n-octanol 433.28
    chloroform 8881.07
    n-propyl acetate 2941.22
    acetic acid 2913.37
    dichloromethane 10523.52
    cyclohexanone 6429.3
    propylene glycol 917.36
    isopropyl acetate 3289.13
    DMAc 2809.72
    2-ethoxyethanol 3019.44
    isopentanol 3145.62
    n-heptane 438.55
    ethyl formate 3348.86
    1,2-dichloroethane 9191.33
    n-hexanol 3875.9
    2-methoxyethanol 7105.03
    isobutyl acetate 1485.6
    tetrachloromethane 1467.02
    n-pentyl acetate 1197.49
    transcutol 8457.78
    n-heptanol 639.88
    ethylbenzene 810.36
    MIBK 1969.65
    2-propoxyethanol 4719.47
    tert-butanol 3414.66
    MTBE 4099.82
    2-butoxyethanol 1268.68
    propionic acid 2845.18
    o-xylene 1036.75
    formic acid 661.72
    diethyl ether 7777.72
    m-xylene 1369.6
    p-xylene 845.55
    chlorobenzene 3097.44
    dimethyl carbonate 1208.1
    n-octane 84.78
    formamide 1230.78
    cyclopentanone 5499.79
    2-pentanone 5777.11
    anisole 1499.09
    cyclopentyl methyl ether 4619.2
    gamma-butyrolactone 5144.63
    1-methoxy-2-propanol 4026.56
    pyridine 6946.79
    3-pentanone 4036.33
    furfural 3490.29
    n-dodecane 44.91
    diethylene glycol 2203.43
    diisopropyl ether 1373.86
    tert-amyl alcohol 2308.08
    acetylacetone 4123.84
    n-hexadecane 54.43
    acetophenone 1081.66
    methyl propionate 4974.81
    isopentyl acetate 3682.4
    trichloroethylene 11947.45
    n-nonanol 374.06
    cyclohexanol 3104.78
    benzyl alcohol 1210.59
    2-ethylhexanol 1819.55
    isooctanol 434.84
    dipropyl ether 3934.08
    1,2-dichlorobenzene 2035.33
    ethyl lactate 591.38
    propylene carbonate 2608.35
    n-methylformamide 3578.88
    2-pentanol 2620.27
    n-pentane 596.81
    1-propoxy-2-propanol 3388.26
    1-methoxy-2-propyl acetate 3305.64
    2-(2-methoxypropoxy) propanol 745.18
    mesitylene 655.75
    ε-caprolactone 4425.86
    p-cymene 519.8
    epichlorohydrin 7011.52
    1,1,1-trichloroethane 5535.51
    2-aminoethanol 1706.51
    morpholine-4-carbaldehyde 3741.35
    sulfolane 4739.51
    2,2,4-trimethylpentane 181.43
    2-methyltetrahydrofuran 6542.1
    n-hexyl acetate 1405.46
    isooctane 147.37
    2-(2-butoxyethoxy)ethanol 1437.72
    sec-butyl acetate 1541.09
    tert-butyl acetate 2541.16
    decalin 276.2
    glycerin 913.73
    diglyme 3183.52
    acrylic acid 1782.54
    isopropyl myristate 401.11
    n-butyric acid 5168.12
    acetyl acetate 2581.85
    di(2-ethylhexyl) phthalate 303.7
    ethyl propionate 2297.12
    nitromethane 5697.76
    1,2-diethoxyethane 5433.39
    benzonitrile 1970.71
    trioctyl phosphate 232.7
    1-bromopropane 5580.34
    gamma-valerolactone 6198.43
    n-decanol 276.22
    triethyl phosphate 528.14
    4-methyl-2-pentanol 905.51
    propionitrile 4132.89
    vinylene carbonate 2235.43
    1,1,2-trichlorotrifluoroethane 3347.22
    DMS 1103.39
    cumene 399.23
    2-octanol 321.86
    2-hexanone 2647.32
    octyl acetate 516.1
    limonene 1087.73
    1,2-dimethoxyethane 5109.15
    ethyl orthosilicate 598.16
    tributyl phosphate 383.07
    diacetone alcohol 1852.03
    N,N-dimethylaniline 708.01
    acrylonitrile 4270.69
    aniline 3217.54
    1,3-propanediol 2837.03
    bromobenzene 3633.14
    dibromomethane 7075.6
    1,1,2,2-tetrachloroethane 7932.56
    2-methyl-cyclohexyl acetate 986.6
    tetrabutyl urea 481.0
    diisobutyl methanol 750.66
    2-phenylethanol 1528.89
    styrene 1361.98
    dioctyl adipate 508.34
    dimethyl sulfate 1312.86
    ethyl butyrate 2692.24
    methyl lactate 979.61
    butyl lactate 711.67
    diethyl carbonate 1296.8
    propanediol butyl ether 748.18
    triethyl orthoformate 1316.86
    p-tert-butyltoluene 476.29
    methyl 4-tert-butylbenzoate 509.55
    morpholine 9457.36
    tert-butylamine 2568.78
    n-dodecanol 213.47
    dimethoxymethane 5462.01
    ethylene carbonate 2335.04
    cyrene 493.33
    2-ethoxyethyl acetate 1987.34
    2-ethylhexyl acetate 2557.62
    1,2,4-trichlorobenzene 2102.41
    4-methylpyridine 6128.57
    dibutyl ether 1630.06
    2,6-dimethyl-4-heptanol 750.66
    DEF 5742.96
    dimethyl isosorbide 1365.74
    tetrachloroethylene 5495.55
    eugenol 531.03
    triacetin 814.96
    span 80 697.98
    1,4-butanediol 789.75
    1,1-dichloroethane 7694.82
    2-methyl-1-pentanol 1776.71
    methyl formate 2437.13
    2-methyl-1-butanol 2929.22
    n-decane 86.75
    butyronitrile 4874.51
    3,7-dimethyl-1-octanol 605.89
    1-chlorooctane 453.76
    1-chlorotetradecane 150.1
    n-nonane 96.04
    undecane 58.53
    tert-butylcyclohexane 239.52
    cyclooctane 282.51
    cyclopentanol 2472.67
    tetrahydropyran 9332.95
    tert-amyl methyl ether 2360.63
    2,5,8-trioxanonane 1502.88
    1-hexene 2438.27
    2-isopropoxyethanol 1708.68
    2,2,2-trifluoroethanol 522.63
    methyl butyrate 3212.82

    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