3-Ethyl-4-methylpyridine

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  • Identifiers

    CAS number
    529-21-5

    Molecular formula
    C8H11N

    SMILES
    CCC1=C(C=CN=C1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 70.47%
    Nutty 60.08%
    Earthy 59.39%
    Roasted 55.94%
    Musty 45.48%
    Tobacco 42.93%
    Fishy 42.39%
    Animal 41.49%
    Burnt 40.48%
    Fatty 40.2%

     

    Flavor
    Nutty 68.96%
    Earthy 54.89%
    Woody 46.17%
    Musty 44.95%
    Roasted 44.49%
    Spicy 41.45%
    Potato 38.46%
    Meaty 36.53%
    Green 36.17%
    Leather 34.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.08 (neutral)

    Molecular weight
    121.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    194°C

    Flash point

    • 59.27 ˚C est.

  • Synonyms

    • 3-Ethyl-4-methylpyridine
    • 529-21-5
    • 3-Ethyl-4-picoline
    • Pyridine, 3-ethyl-4-methyl-
    • beta-Collidine
    • 4-Methyl-3-ethylpyridine
    • .beta.-Collidine
    • 4-Picoline, 3-ethyl-
    • UNII-4I7CCZ440O
    • 4I7CCZ440O
    • EINECS 208-453-8
    • MFCD00014638
    • NSC 62016
    • NSC-62016
    • 3-Ethyl-.gamma.-picoline
    • AI3-16615
    • .beta.-Ethyl-.gamma.-picoline
    • DTXSID1060182
    • 3-ETHYL-4-PICOLINE [MI]
    • .beta.-Ethyl-.gamma.-methylpyridine
    • 3-Ethyl-4-methylpyridine (3-Ethyl-4-picoline)
    • 3-Ethyl-gamma-picoline
    • beta-Ethyl-gamma-methylpyridine
    • NSC62016
    • R348
    • 3-ethyl-4-methypyridine
    • beta-Ethyl-gamma-picoline
    • SCHEMBL212818
    • DTXCID9041316
    • SCHEMBL15727127
    • AKOS006228375
    • DB-006426
    • NS00032614
    • AO-801/41077436
    • Q27259621

  • Applications

    3-Ethyl-4-methylpyridine (CAS 529-21-5) is primarily used as a synthetic intermediate in chemical manufacturing. It serves as a building block for intermediates of crop-protection products and pharmaceuticals, and is used in the synthesis of pyridine-containing dyes and polymer additives. The compound may also be used as a fragrance intermediate or odorant precursor in perfumery, and could be considered for applications in specialty coatings or inks where a pyridine moiety is advantageous. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 892.8
    methanol 920.66
    isopropanol 656.03
    water 4.05
    ethyl acetate 907.56
    n-propanol 823.52
    acetone 866.0
    n-butanol 752.54
    acetonitrile 1343.9
    DMF 826.66
    toluene 690.24
    isobutanol 606.63
    1,4-dioxane 2043.1
    methyl acetate 875.54
    THF 1566.72
    2-butanone 878.88
    n-pentanol 491.11
    sec-butanol 563.37
    n-hexane 197.88
    ethylene glycol 115.08
    NMP 983.03
    cyclohexane 297.88
    DMSO 1017.74
    n-butyl acetate 1032.21
    n-octanol 231.46
    chloroform 2969.14
    n-propyl acetate 575.09
    acetic acid 742.07
    dichloromethane 3112.71
    cyclohexanone 1520.21
    propylene glycol 119.04
    isopropyl acetate 455.15
    DMAc 447.5
    2-ethoxyethanol 487.79
    isopentanol 553.13
    n-heptane 156.27
    ethyl formate 647.18
    1,2-dichloroethane 1824.77
    n-hexanol 704.07
    2-methoxyethanol 738.27
    isobutyl acetate 351.68
    tetrachloromethane 906.94
    n-pentyl acetate 410.62
    transcutol 1253.11
    n-heptanol 286.5
    ethylbenzene 264.39
    MIBK 374.27
    2-propoxyethanol 801.98
    tert-butanol 662.65
    MTBE 763.91
    2-butoxyethanol 401.51
    propionic acid 718.56
    o-xylene 328.46
    formic acid 258.83
    diethyl ether 1239.4
    m-xylene 367.48
    p-xylene 327.62
    chlorobenzene 1035.55
    dimethyl carbonate 224.26
    n-octane 62.29
    formamide 351.19
    cyclopentanone 1323.78
    2-pentanone 674.17
    anisole 460.12
    cyclopentyl methyl ether 1039.8
    gamma-butyrolactone 1490.44
    1-methoxy-2-propanol 461.16
    pyridine 1437.44
    3-pentanone 573.9
    furfural 1135.19
    n-dodecane 39.52
    diethylene glycol 401.53
    diisopropyl ether 277.62
    tert-amyl alcohol 552.3
    acetylacetone 530.4
    n-hexadecane 46.04
    acetophenone 353.45
    methyl propionate 596.41
    isopentyl acetate 663.55
    trichloroethylene 2384.63
    n-nonanol 203.95
    cyclohexanol 709.74
    benzyl alcohol 344.09
    2-ethylhexanol 399.23
    isooctanol 233.31
    dipropyl ether 571.06
    1,2-dichlorobenzene 736.85
    ethyl lactate 157.21
    propylene carbonate 779.13
    n-methylformamide 635.29
    2-pentanol 462.6
    n-pentane 187.77
    1-propoxy-2-propanol 544.47
    1-methoxy-2-propyl acetate 509.67
    2-(2-methoxypropoxy) propanol 271.16
    mesitylene 223.06
    ε-caprolactone 1157.57
    p-cymene 181.45
    epichlorohydrin 1729.26
    1,1,1-trichloroethane 1766.42
    2-aminoethanol 283.03
    morpholine-4-carbaldehyde 967.41
    sulfolane 1468.8
    2,2,4-trimethylpentane 88.15
    2-methyltetrahydrofuran 1472.06
    n-hexyl acetate 455.26
    isooctane 71.12
    2-(2-butoxyethoxy)ethanol 404.52
    sec-butyl acetate 323.94
    tert-butyl acetate 462.05
    decalin 119.27
    glycerin 162.55
    diglyme 769.72
    acrylic acid 525.75
    isopropyl myristate 176.84
    n-butyric acid 921.68
    acetyl acetate 420.58
    di(2-ethylhexyl) phthalate 146.96
    ethyl propionate 421.95
    nitromethane 1258.03
    1,2-diethoxyethane 758.28
    benzonitrile 627.92
    trioctyl phosphate 121.18
    1-bromopropane 1279.29
    gamma-valerolactone 1468.83
    n-decanol 155.79
    triethyl phosphate 175.22
    4-methyl-2-pentanol 236.71
    propionitrile 1004.65
    vinylene carbonate 806.55
    1,1,2-trichlorotrifluoroethane 670.49
    DMS 303.43
    cumene 172.54
    2-octanol 196.77
    2-hexanone 517.57
    octyl acetate 230.11
    limonene 286.27
    1,2-dimethoxyethane 895.17
    ethyl orthosilicate 182.09
    tributyl phosphate 154.2
    diacetone alcohol 392.8
    N,N-dimethylaniline 251.81
    acrylonitrile 1041.39
    aniline 786.03
    1,3-propanediol 435.66
    bromobenzene 1145.65
    dibromomethane 2159.57
    1,1,2,2-tetrachloroethane 1705.28
    2-methyl-cyclohexyl acetate 298.16
    tetrabutyl urea 181.17
    diisobutyl methanol 207.84
    2-phenylethanol 413.91
    styrene 376.71
    dioctyl adipate 201.98
    dimethyl sulfate 317.27
    ethyl butyrate 561.7
    methyl lactate 183.2
    butyl lactate 219.11
    diethyl carbonate 314.49
    propanediol butyl ether 234.28
    triethyl orthoformate 319.84
    p-tert-butyltoluene 170.34
    methyl 4-tert-butylbenzoate 262.36
    morpholine 1804.37
    tert-butylamine 481.46
    n-dodecanol 122.68
    dimethoxymethane 592.26
    ethylene carbonate 738.7
    cyrene 242.66
    2-ethoxyethyl acetate 479.76
    2-ethylhexyl acetate 546.45
    1,2,4-trichlorobenzene 764.32
    4-methylpyridine 1298.45
    dibutyl ether 381.75
    2,6-dimethyl-4-heptanol 207.84
    DEF 735.11
    dimethyl isosorbide 503.53
    tetrachloroethylene 1367.07
    eugenol 271.82
    triacetin 262.88
    span 80 254.81
    1,4-butanediol 169.02
    1,1-dichloroethane 1881.48
    2-methyl-1-pentanol 399.77
    methyl formate 494.02
    2-methyl-1-butanol 577.68
    n-decane 67.78
    butyronitrile 999.65
    3,7-dimethyl-1-octanol 224.34
    1-chlorooctane 252.22
    1-chlorotetradecane 95.16
    n-nonane 74.36
    undecane 49.97
    tert-butylcyclohexane 115.66
    cyclooctane 101.4
    cyclopentanol 662.24
    tetrahydropyran 1791.92
    tert-amyl methyl ether 481.33
    2,5,8-trioxanonane 445.94
    1-hexene 526.3
    2-isopropoxyethanol 342.06
    2,2,2-trifluoroethanol 257.95
    methyl butyrate 598.3

    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