3-Ethylpyridine

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  • Identifiers

    CAS number
    536-78-7

    Molecular formula
    C7H9N

    SMILES
    CCC1=CN=CC=C1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 62.98%
    Roasted 59.11%
    Earthy 57.7%
    Green 53.16%
    Sweet 50.82%
    Burnt 47.55%
    Tobacco 47.39%
    Musty 46.43%
    Smoky 42.11%
    Fishy 40.31%

     

    Flavor
    Nutty 73.37%
    Woody 72.76%
    Green 70.67%
    Fruity 68.46%
    Earthy 65.18%
    Spicy 63.08%
    Fatty 61.0%
    Floral 60.78%
    Herbaceous 58.65%
    Citrus 58.51%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    5.42 (weak acid)

    Molecular weight
    107.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -76.9 °C

    Boiling point

    • 166.00 °C. @ 762.00 mm Hg

    Flash point

    • 43.16 ˚C est.

    Solubility expt.

    • 370 mg/mL at 196 °C
    • Soluble in ether; Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 3-ETHYLPYRIDINE
    • 536-78-7
    • Pyridine, 3-ethyl-
    • beta-Ethylpyridine
    • 3-Ethyl pyridine
    • 3-Ethyl-pyridine
    • beta-Lutidine
    • 5-Ethylpyridine
    • Lutidine, beta-
    • FEMA No. 3394
    • UNII-A25I3EZ88V
    • A25I3EZ88V
    • 3-(C2H5)-pyridine
    • EINECS 208-647-2
    • MFCD00006413
    • 3-ETHYLPYRIDINE [MI]
    • 3-ETHYLPYRIDINE [FHFI]
    • DTXSID6060212
    • 3-ETHYL PYRIDINE [FCC]
    • FEMA 3394
    • 151103-56-9
    • Pyridine, 3-ethyl-, radical ion(1+) (9CI)
    • 3-Ethylpyridine, 98%
    • SCHEMBL10607
    • CHEMBL23025
    • ss-Ethylpyridine; ss-Lutidine
    • SCHEMBL8516557
    • SCHEMBL8516560
    • DTXCID6041478
    • 3-Ethylpyridine, >=98%, FG
    • CHEBI:169025
    • AKOS009031547
    • DS-2812
    • FE35633
    • 3-Ethylpyridine, technical grade, 94%
    • BP-11274
    • DB-016004
    • A7811
    • E0169
    • NS00012460
    • EN300-20087
    • D87724
    • Q27273525
    • Z104476778
    • 208-647-2

  • Applications

    3-Ethylpyridine (CAS 536-78-7) is a versatile pyridine derivative used as an intermediate for pyridine-based pharmaceuticals, agrochemical actives (pesticides, herbicides), and other heterocycles; as a smoky-meaty flavouring agent in aroma formulations; as a mildly basic solvent or pH modulator in condensation reactions; as a component in conductive polymers; as a calibration standard in gas chromatography and mass spectrometry; as a nitrogen-donor ligand in transition-metal catalysts for C-C/C-N coupling; and as a precursor to pyridinium salts employed in electrochemical processes and flow-battery electrolytes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 847.37
    methanol 649.18
    isopropanol 644.56
    water 1.76
    ethyl acetate 984.13
    n-propanol 731.68
    acetone 1194.17
    n-butanol 697.48
    acetonitrile 1357.32
    DMF 1069.67
    toluene 671.53
    isobutanol 607.26
    1,4-dioxane 1538.12
    methyl acetate 950.52
    THF 1453.3
    2-butanone 1108.5
    n-pentanol 523.55
    sec-butanol 576.15
    n-hexane 196.57
    ethylene glycol 111.31
    NMP 1188.84
    cyclohexane 221.07
    DMSO 1453.28
    n-butyl acetate 1215.79
    n-octanol 267.43
    chloroform 3327.1
    n-propyl acetate 748.38
    acetic acid 840.89
    dichloromethane 3357.44
    cyclohexanone 1504.16
    propylene glycol 146.1
    isopropyl acetate 489.7
    DMAc 619.33
    2-ethoxyethanol 475.18
    isopentanol 550.79
    n-heptane 164.62
    ethyl formate 709.18
    1,2-dichloroethane 1794.92
    n-hexanol 693.88
    2-methoxyethanol 697.44
    isobutyl acetate 487.49
    tetrachloromethane 786.34
    n-pentyl acetate 457.22
    transcutol 1591.86
    n-heptanol 275.25
    ethylbenzene 259.93
    MIBK 422.21
    2-propoxyethanol 733.05
    tert-butanol 668.96
    MTBE 718.4
    2-butoxyethanol 402.32
    propionic acid 747.7
    o-xylene 322.67
    formic acid 187.81
    diethyl ether 974.05
    m-xylene 360.01
    p-xylene 350.15
    chlorobenzene 1126.09
    dimethyl carbonate 260.58
    n-octane 62.5
    formamide 273.84
    cyclopentanone 1452.04
    2-pentanone 796.46
    anisole 471.31
    cyclopentyl methyl ether 854.22
    gamma-butyrolactone 1568.26
    1-methoxy-2-propanol 498.66
    pyridine 1595.48
    3-pentanone 651.26
    furfural 1276.95
    n-dodecane 44.61
    diethylene glycol 387.22
    diisopropyl ether 257.54
    tert-amyl alcohol 580.43
    acetylacetone 679.0
    n-hexadecane 50.48
    acetophenone 422.83
    methyl propionate 655.19
    isopentyl acetate 787.89
    trichloroethylene 2838.19
    n-nonanol 223.59
    cyclohexanol 599.37
    benzyl alcohol 355.45
    2-ethylhexanol 428.2
    isooctanol 232.18
    dipropyl ether 641.99
    1,2-dichlorobenzene 795.65
    ethyl lactate 202.42
    propylene carbonate 906.88
    n-methylformamide 646.48
    2-pentanol 456.36
    n-pentane 170.86
    1-propoxy-2-propanol 598.95
    1-methoxy-2-propyl acetate 539.48
    2-(2-methoxypropoxy) propanol 306.0
    mesitylene 209.35
    ε-caprolactone 1167.54
    p-cymene 186.72
    epichlorohydrin 1650.84
    1,1,1-trichloroethane 1854.71
    2-aminoethanol 255.02
    morpholine-4-carbaldehyde 980.63
    sulfolane 1625.15
    2,2,4-trimethylpentane 85.61
    2-methyltetrahydrofuran 1371.12
    n-hexyl acetate 543.38
    isooctane 69.14
    2-(2-butoxyethoxy)ethanol 448.76
    sec-butyl acetate 403.66
    tert-butyl acetate 466.18
    decalin 109.71
    glycerin 190.22
    diglyme 885.83
    acrylic acid 584.71
    isopropyl myristate 197.58
    n-butyric acid 995.31
    acetyl acetate 500.78
    di(2-ethylhexyl) phthalate 165.03
    ethyl propionate 509.28
    nitromethane 1367.06
    1,2-diethoxyethane 836.03
    benzonitrile 761.05
    trioctyl phosphate 133.04
    1-bromopropane 1279.32
    gamma-valerolactone 1447.49
    n-decanol 171.38
    triethyl phosphate 188.34
    4-methyl-2-pentanol 235.7
    propionitrile 997.33
    vinylene carbonate 883.77
    1,1,2-trichlorotrifluoroethane 821.52
    DMS 342.75
    cumene 170.06
    2-octanol 197.01
    2-hexanone 680.75
    octyl acetate 260.0
    limonene 291.5
    1,2-dimethoxyethane 888.89
    ethyl orthosilicate 192.41
    tributyl phosphate 178.52
    diacetone alcohol 414.86
    N,N-dimethylaniline 282.34
    acrylonitrile 1098.45
    aniline 713.97
    1,3-propanediol 406.85
    bromobenzene 1317.8
    dibromomethane 2293.25
    1,1,2,2-tetrachloroethane 1917.13
    2-methyl-cyclohexyl acetate 344.46
    tetrabutyl urea 222.9
    diisobutyl methanol 219.67
    2-phenylethanol 427.45
    styrene 398.98
    dioctyl adipate 241.99
    dimethyl sulfate 388.18
    ethyl butyrate 677.92
    methyl lactate 217.78
    butyl lactate 272.93
    diethyl carbonate 364.17
    propanediol butyl ether 305.37
    triethyl orthoformate 351.21
    p-tert-butyltoluene 167.45
    methyl 4-tert-butylbenzoate 292.41
    morpholine 1448.0
    tert-butylamine 485.01
    n-dodecanol 134.5
    dimethoxymethane 602.03
    ethylene carbonate 772.79
    cyrene 276.58
    2-ethoxyethyl acetate 509.32
    2-ethylhexyl acetate 614.34
    1,2,4-trichlorobenzene 846.57
    4-methylpyridine 1463.18
    dibutyl ether 480.8
    2,6-dimethyl-4-heptanol 219.67
    DEF 926.36
    dimethyl isosorbide 561.35
    tetrachloroethylene 1346.16
    eugenol 314.19
    triacetin 344.3
    span 80 304.39
    1,4-butanediol 174.78
    1,1-dichloroethane 2038.83
    2-methyl-1-pentanol 420.02
    methyl formate 519.13
    2-methyl-1-butanol 575.61
    n-decane 71.27
    butyronitrile 1022.31
    3,7-dimethyl-1-octanol 262.13
    1-chlorooctane 273.0
    1-chlorotetradecane 102.65
    n-nonane 78.11
    undecane 55.01
    tert-butylcyclohexane 109.92
    cyclooctane 81.4
    cyclopentanol 634.2
    tetrahydropyran 1444.88
    tert-amyl methyl ether 478.6
    2,5,8-trioxanonane 526.77
    1-hexene 548.26
    2-isopropoxyethanol 355.86
    2,2,2-trifluoroethanol 252.43
    methyl butyrate 762.06

    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