2-(3-Pentyl)pyridine

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  • Identifiers

    CAS number
    7399-50-0

    Molecular formula
    C10H15N

    SMILES
    CCC(CC)C1=CC=CC=N1

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 76.84%
    Earthy 52.48%
    Vegetable 42.53%
    Nutty 37.03%
    Animal 36.82%
    Herbal 35.03%
    Roasted 35.02%
    Fatty 34.93%
    Leafy 30.74%
    Burnt 30.22%

     

    Flavor
    Green 81.65%
    Herbal 62.61%
    Pepper 42.46%
    Earthy 32.91%
    Fatty 29.66%
    Musty 28.52%
    Fresh 27.93%
    Raw 25.58%
    Leaf 25.02%
    Floral 24.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.39 (neutral)

    Molecular weight
    149.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    206°C

    Flash point

    • 69.38 ˚C est.

  • Synonyms

    • 2-(3-Pentyl)pyridine
    • 7399-50-0
    • 3-(2-Pyridyl)pentane
    • 2-(1-Ethylpropyl)pyridine
    • Pyridine, 2-(1-ethylpropyl)-
    • 2-pentan-3-ylpyridine
    • 2-(3-Pentyl)pyridine ,
    • 6YF99WM20L
    • EINECS 230-998-5
    • NSC 54364
    • NSC-54364
    • DTXSID4052477
    • 2-(1-Ethyl-propyl)-pyridine
    • UNII-6YF99WM20L
    • NSC54364
    • MFCD00014631
    • 2-(pentan-3-yl)pyridine
    • SCHEMBL65284
    • 2-(1-Ethylpropyl)-pyridine
    • 2-(1-ethyl propyl) pyridine
    • DTXCID5031050
    • AKOS006229563
    • BS-18034
    • CS-0152605
    • NS00012459
    • P0969
    • D83598
    • Q27265723
    • InChI=1/C10H15N/c1-3-9(4-2)10-7-5-6-8-11-10/h5-9H,3-4H2,1-2H
    • 230-998-5

  • Applications

    2-(3-Pentyl)pyridine (CAS 7399-50-0) is primarily used as a synthetic building block for pyridine-derived compounds in pharmaceuticals and agricultural chemicals; it is also considered an intermediate in the production of fragrance ingredients and odorants due to the characteristic odor profile of the pyridine ring bearing a pentyl substituent. In addition, it can serve as a feedstock for coatings and inks to develop pigment precursors or related dye and solvent-derived derivatives; it is also studied as a starting material for organic electronic materials and small-molecule semiconductors when integrated into pyridine-containing systems. Depending on conditions and local regulations, it can be viewed as a precursor for polymers or more complex organic frameworks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1596.86
    methanol 1097.13
    isopropanol 1207.35
    water 0.42
    ethyl acetate 1727.28
    n-propanol 1359.07
    acetone 2492.84
    n-butanol 1299.84
    acetonitrile 2726.7
    DMF 2066.9
    toluene 1407.9
    isobutanol 1092.13
    1,4-dioxane 2765.13
    methyl acetate 1695.85
    THF 3365.97
    2-butanone 1950.64
    n-pentanol 799.46
    sec-butanol 1046.62
    n-hexane 642.36
    ethylene glycol 120.4
    NMP 2048.04
    cyclohexane 1242.21
    DMSO 1915.74
    n-butyl acetate 3315.03
    n-octanol 679.4
    chloroform 7392.65
    n-propyl acetate 1298.85
    acetic acid 1150.47
    dichloromethane 8672.1
    cyclohexanone 3856.03
    propylene glycol 188.89
    isopropyl acetate 918.61
    DMAc 1075.81
    2-ethoxyethanol 603.79
    isopentanol 985.89
    n-heptane 766.8
    ethyl formate 1631.91
    1,2-dichloroethane 4556.72
    n-hexanol 1665.4
    2-methoxyethanol 1037.09
    isobutyl acetate 763.49
    tetrachloromethane 1756.87
    n-pentyl acetate 1092.15
    transcutol 1904.7
    n-heptanol 662.23
    ethylbenzene 654.46
    MIBK 807.09
    2-propoxyethanol 1311.72
    tert-butanol 1125.65
    MTBE 1327.71
    2-butoxyethanol 707.57
    propionic acid 1039.97
    o-xylene 660.03
    formic acid 171.26
    diethyl ether 1904.83
    m-xylene 740.93
    p-xylene 851.3
    chlorobenzene 2549.73
    dimethyl carbonate 464.83
    n-octane 254.44
    formamide 338.56
    cyclopentanone 3311.79
    2-pentanone 1587.77
    anisole 873.6
    cyclopentyl methyl ether 1786.0
    gamma-butyrolactone 3411.0
    1-methoxy-2-propanol 726.14
    pyridine 3400.93
    3-pentanone 1315.92
    furfural 2261.07
    n-dodecane 161.14
    diethylene glycol 483.73
    diisopropyl ether 527.65
    tert-amyl alcohol 896.81
    acetylacetone 1298.64
    n-hexadecane 188.63
    acetophenone 836.54
    methyl propionate 1199.91
    isopentyl acetate 1919.77
    trichloroethylene 6729.71
    n-nonanol 544.13
    cyclohexanol 1481.09
    benzyl alcohol 628.1
    2-ethylhexanol 1151.37
    isooctanol 498.66
    dipropyl ether 1832.26
    1,2-dichlorobenzene 2063.24
    ethyl lactate 317.12
    propylene carbonate 2146.53
    n-methylformamide 1094.16
    2-pentanol 813.98
    n-pentane 549.62
    1-propoxy-2-propanol 1159.18
    1-methoxy-2-propyl acetate 1096.0
    2-(2-methoxypropoxy) propanol 468.87
    mesitylene 493.11
    ε-caprolactone 2501.82
    p-cymene 611.7
    epichlorohydrin 3420.05
    1,1,1-trichloroethane 4133.09
    2-aminoethanol 301.92
    morpholine-4-carbaldehyde 1556.2
    sulfolane 3035.88
    2,2,4-trimethylpentane 199.72
    2-methyltetrahydrofuran 2824.84
    n-hexyl acetate 1342.22
    isooctane 163.1
    2-(2-butoxyethoxy)ethanol 691.24
    sec-butyl acetate 659.28
    tert-butyl acetate 806.14
    decalin 352.48
    glycerin 205.94
    diglyme 1481.31
    acrylic acid 753.93
    isopropyl myristate 499.47
    n-butyric acid 1787.67
    acetyl acetate 881.22
    di(2-ethylhexyl) phthalate 360.21
    ethyl propionate 929.02
    nitromethane 1903.49
    1,2-diethoxyethane 1561.69
    benzonitrile 1691.94
    trioctyl phosphate 328.09
    1-bromopropane 3194.31
    gamma-valerolactone 2805.67
    n-decanol 398.21
    triethyl phosphate 441.41
    4-methyl-2-pentanol 393.67
    propionitrile 2074.84
    vinylene carbonate 1933.95
    1,1,2-trichlorotrifluoroethane 1384.04
    DMS 733.04
    cumene 427.0
    2-octanol 474.63
    2-hexanone 1274.61
    octyl acetate 635.99
    limonene 1059.99
    1,2-dimethoxyethane 1575.78
    ethyl orthosilicate 443.3
    tributyl phosphate 436.2
    diacetone alcohol 635.99
    N,N-dimethylaniline 558.04
    acrylonitrile 2127.84
    aniline 1211.4
    1,3-propanediol 566.4
    bromobenzene 3057.04
    dibromomethane 6100.3
    1,1,2,2-tetrachloroethane 4789.07
    2-methyl-cyclohexyl acetate 817.09
    tetrabutyl urea 561.47
    diisobutyl methanol 515.95
    2-phenylethanol 832.75
    styrene 955.03
    dioctyl adipate 597.87
    dimethyl sulfate 610.55
    ethyl butyrate 1609.71
    methyl lactate 324.37
    butyl lactate 573.2
    diethyl carbonate 876.87
    propanediol butyl ether 510.38
    triethyl orthoformate 864.27
    p-tert-butyltoluene 521.87
    methyl 4-tert-butylbenzoate 598.64
    morpholine 2710.8
    tert-butylamine 934.95
    n-dodecanol 321.53
    dimethoxymethane 1255.72
    ethylene carbonate 1805.57
    cyrene 412.98
    2-ethoxyethyl acetate 995.57
    2-ethylhexyl acetate 1632.9
    1,2,4-trichlorobenzene 1920.21
    4-methylpyridine 2870.51
    dibutyl ether 1330.19
    2,6-dimethyl-4-heptanol 515.95
    DEF 1681.67
    dimethyl isosorbide 990.79
    tetrachloroethylene 3352.82
    eugenol 527.99
    triacetin 686.98
    span 80 569.98
    1,4-butanediol 226.5
    1,1-dichloroethane 4385.15
    2-methyl-1-pentanol 669.51
    methyl formate 1063.62
    2-methyl-1-butanol 970.17
    n-decane 279.48
    butyronitrile 2374.66
    3,7-dimethyl-1-octanol 568.15
    1-chlorooctane 873.47
    1-chlorotetradecane 336.86
    n-nonane 321.77
    undecane 204.86
    tert-butylcyclohexane 291.3
    cyclooctane 386.82
    cyclopentanol 1441.41
    tetrahydropyran 3574.12
    tert-amyl methyl ether 847.34
    2,5,8-trioxanonane 795.85
    1-hexene 1424.96
    2-isopropoxyethanol 448.52
    2,2,2-trifluoroethanol 318.61
    methyl butyrate 1517.44

    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