3-Pentylpyridine

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  • Identifiers

    CAS number
    1802-20-6

    Molecular formula
    C10H15N

    SMILES
    CCCCCC1=CN=CC=C1

  • Odor profile

    Fragrance
    Green 86.29%
    Earthy 68.81%
    Sweet 52.39%
    Fatty 46.49%
    Nutty 42.36%
    Vegetable 39.66%
    Musty 37.18%
    Animal 35.86%
    Herbal 35.35%
    Metallic 30.94%

     

    Flavor
    Green 50.16%
    Fatty 49.47%
    Fruity 43.52%
    Earthy 37.94%
    Nutty 37.16%
    Herbal 34.26%
    Woody 33.92%
    Spicy 31.7%
    Citrus 31.25%
    Musty 31.22%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    5.88 (weak acid)

    Molecular weight
    149.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 221.00 to 223.00 °C. @ 760.00 mm Hg

    Flash point

    • 88.62 ˚C est.

  • Synonyms

    • 3-pentylpyridine
    • 1802-20-6
    • Pyridine, 3-pentyl-
    • Pyridine, 3-pentyl
    • 1-(3-Pyridyl)pentane
    • NSC-42633
    • 2XM63Y2756
    • MLS000737065
    • DTXSID30285686
    • NSC 42633
    • 3-pentyl pyridine
    • NSC42633
    • MFCD23703132
    • Pyridine,3-pentyl-
    • 3-PENTYL-PYRIDINE
    • SCHEMBL135032
    • CHEMBL1423619
    • UNII-2XM63Y2756
    • DTXCID50236837
    • HMS2746P12
    • AKOS016011816
    • DS-6984
    • SMR000394020
    • CS-0152311
    • NS00126400
    • O11045

  • Applications

    3-Pentylpyridine (CAS 1802-20-6) is primarily used as a chemical intermediate in organic synthesis, providing a substituted pyridine scaffold for the preparation of more complex heterocycles and research compounds in pharmaceutical or agrochemical development. It may also serve as an odorant or fragrance ingredient in perfumery and cosmetics, contributing pyridine-like notes under formulation conditions. In industrial settings, it functions as a building block for pyridine-containing polymers and specialty coatings, enabling incorporation of heteroaromatic functionality into materials. The compound is often evaluated for use in catalysis research and electronics-oriented formulations where its pyridine ring can participate in coordination chemistry or act as a precursor to advanced materials, with exact uses governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7709.41
    methanol 7091.38
    isopropanol 4616.47
    water 0.2
    ethyl acetate 11948.79
    n-propanol 6021.93
    acetone 12135.18
    n-butanol 5985.2
    acetonitrile 7517.66
    DMF 8195.45
    toluene 4128.95
    isobutanol 4326.12
    1,4-dioxane 7522.38
    methyl acetate 6277.97
    THF 8862.1
    2-butanone 8094.99
    n-pentanol 3375.93
    sec-butanol 3815.43
    n-hexane 907.54
    ethylene glycol 667.23
    NMP 3544.86
    cyclohexane 1314.33
    DMSO 10148.49
    n-butyl acetate 10103.42
    n-octanol 668.97
    chloroform 11988.97
    n-propyl acetate 4457.67
    acetic acid 3948.72
    dichloromethane 15186.3
    cyclohexanone 8671.61
    propylene glycol 972.32
    isopropyl acetate 4680.42
    DMAc 3531.06
    2-ethoxyethanol 3529.49
    isopentanol 4355.58
    n-heptane 652.94
    ethyl formate 5162.05
    1,2-dichloroethane 12109.52
    n-hexanol 4878.92
    2-methoxyethanol 8349.76
    isobutyl acetate 2234.81
    tetrachloromethane 2002.08
    n-pentyl acetate 1908.9
    transcutol 11396.76
    n-heptanol 931.13
    ethylbenzene 1211.87
    MIBK 3170.6
    2-propoxyethanol 5874.78
    tert-butanol 4529.93
    MTBE 5597.83
    2-butoxyethanol 1770.55
    propionic acid 3603.78
    o-xylene 1346.35
    formic acid 816.66
    diethyl ether 9840.29
    m-xylene 1849.77
    p-xylene 1289.76
    chlorobenzene 4460.0
    dimethyl carbonate 1689.75
    n-octane 131.59
    formamide 1591.1
    cyclopentanone 7294.43
    2-pentanone 8355.88
    anisole 2156.3
    cyclopentyl methyl ether 5860.29
    gamma-butyrolactone 6989.7
    1-methoxy-2-propanol 5149.61
    pyridine 8382.29
    3-pentanone 5287.68
    furfural 5130.5
    n-dodecane 67.51
    diethylene glycol 2578.74
    diisopropyl ether 1964.24
    tert-amyl alcohol 3181.1
    acetylacetone 5892.03
    n-hexadecane 80.53
    acetophenone 1664.77
    methyl propionate 6489.38
    isopentyl acetate 5860.08
    trichloroethylene 16088.04
    n-nonanol 561.75
    cyclohexanol 3822.81
    benzyl alcohol 1736.51
    2-ethylhexanol 2709.08
    isooctanol 676.68
    dipropyl ether 5464.11
    1,2-dichlorobenzene 3036.92
    ethyl lactate 833.81
    propylene carbonate 3891.96
    n-methylformamide 4615.16
    2-pentanol 3542.19
    n-pentane 862.59
    1-propoxy-2-propanol 4750.37
    1-methoxy-2-propyl acetate 4641.55
    2-(2-methoxypropoxy) propanol 1067.78
    mesitylene 922.65
    ε-caprolactone 6080.13
    p-cymene 842.48
    epichlorohydrin 9304.33
    1,1,1-trichloroethane 7843.02
    2-aminoethanol 1835.64
    morpholine-4-carbaldehyde 4406.16
    sulfolane 6310.84
    2,2,4-trimethylpentane 267.69
    2-methyltetrahydrofuran 8544.62
    n-hexyl acetate 2214.21
    isooctane 233.29
    2-(2-butoxyethoxy)ethanol 1934.21
    sec-butyl acetate 2365.69
    tert-butyl acetate 3523.57
    decalin 382.59
    glycerin 1022.42
    diglyme 4341.8
    acrylic acid 2299.59
    isopropyl myristate 606.88
    n-butyric acid 7587.01
    acetyl acetate 3617.92
    di(2-ethylhexyl) phthalate 445.16
    ethyl propionate 3410.21
    nitromethane 7814.67
    1,2-diethoxyethane 7367.39
    benzonitrile 3039.44
    trioctyl phosphate 359.11
    1-bromopropane 7531.17
    gamma-valerolactone 8110.41
    n-decanol 409.9
    triethyl phosphate 743.0
    4-methyl-2-pentanol 1330.46
    propionitrile 5809.41
    vinylene carbonate 3337.71
    1,1,2-trichlorotrifluoroethane 4246.23
    DMS 1607.88
    cumene 613.18
    2-octanol 497.35
    2-hexanone 3984.54
    octyl acetate 787.84
    limonene 1654.84
    1,2-dimethoxyethane 6507.7
    ethyl orthosilicate 840.42
    tributyl phosphate 597.01
    diacetone alcohol 2678.53
    N,N-dimethylaniline 1059.58
    acrylonitrile 6200.47
    aniline 4083.07
    1,3-propanediol 3320.07
    bromobenzene 5133.13
    dibromomethane 10243.3
    1,1,2,2-tetrachloroethane 10713.69
    2-methyl-cyclohexyl acetate 1478.68
    tetrabutyl urea 717.79
    diisobutyl methanol 1134.07
    2-phenylethanol 2133.35
    styrene 1985.54
    dioctyl adipate 749.63
    dimethyl sulfate 1864.74
    ethyl butyrate 4380.27
    methyl lactate 1306.84
    butyl lactate 1158.21
    diethyl carbonate 2030.85
    propanediol butyl ether 1101.1
    triethyl orthoformate 1958.8
    p-tert-butyltoluene 745.12
    methyl 4-tert-butylbenzoate 766.04
    morpholine 10194.31
    tert-butylamine 3431.84
    n-dodecanol 316.64
    dimethoxymethane 6600.53
    ethylene carbonate 3430.34
    cyrene 673.09
    2-ethoxyethyl acetate 2929.56
    2-ethylhexyl acetate 4049.17
    1,2,4-trichlorobenzene 3039.65
    4-methylpyridine 8218.85
    dibutyl ether 2508.44
    2,6-dimethyl-4-heptanol 1134.07
    DEF 7643.01
    dimethyl isosorbide 1941.86
    tetrachloroethylene 7329.37
    eugenol 812.24
    triacetin 1216.49
    span 80 983.52
    1,4-butanediol 918.75
    1,1-dichloroethane 10864.09
    2-methyl-1-pentanol 2513.38
    methyl formate 3291.89
    2-methyl-1-butanol 3951.37
    n-decane 131.28
    butyronitrile 7301.83
    3,7-dimethyl-1-octanol 936.55
    1-chlorooctane 696.23
    1-chlorotetradecane 224.46
    n-nonane 148.97
    undecane 89.92
    tert-butylcyclohexane 358.26
    cyclooctane 378.41
    cyclopentanol 3010.04
    tetrahydropyran 10989.08
    tert-amyl methyl ether 3187.48
    2,5,8-trioxanonane 2008.48
    1-hexene 3700.1
    2-isopropoxyethanol 2098.19
    2,2,2-trifluoroethanol 717.75
    methyl butyrate 4924.08

    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