2-Ethyl-5-methylpyridine

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  • Identifiers

    CAS number
    18113-81-0

    Molecular formula
    C8H11N

    SMILES
    CCC1=NC=C(C=C1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 83.11%
    Earthy 64.46%
    Nutty 54.42%
    Roasted 49.48%
    Musty 40.8%
    Animal 39.84%
    Herbal 38.13%
    Vegetable 37.5%
    Fatty 35.52%
    Tobacco 35.43%

     

    Flavor
    Nutty 63.18%
    Green 58.76%
    Earthy 50.95%
    Woody 47.99%
    Spicy 44.95%
    Roasted 39.98%
    Musty 37.79%
    Herbal 37.15%
    Vegetable 36.72%
    Meaty 35.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    5.31 (weak acid)

    Molecular weight
    121.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    169°C

    Flash point

    • 47.64 ˚C est.

  • Synonyms

    • 2-Ethyl-5-methylpyridine
    • 18113-81-0
    • 2WWW2MR72E
    • DTXSID20334051
    • RefChem:1063070
    • DTXCID30285141
    • 897-629-3
    • Pyridine, 2-ethyl-5-methyl-
    • 2-ETHYL-5-METHYL-PYRIDINE
    • 5-Methyl-2-ethyl pyridine
    • MFCD13175270
    • 6-Ethyl-3-picoline
    • 5-Methyl-2-ethylpyridine
    • SCHEMBL469189
    • orb3023532
    • SCHEMBL1515367
    • SCHEMBL1515370
    • SCHEMBL7136842
    • SCHEMBL11287460
    • CHEBI:179424
    • SB54346
    • BS-49493
    • DB-365092
    • E78001
    • EN300-7613348
    • 18113-81-0

  • Applications

    2-Ethyl-5-methylpyridine (CAS 18113-81-0) is primarily used as an intermediate building block in the synthesis of heterocyclic compounds for pharmaceutical and agrochemical applications; it can also function as a fragrance/odorant component in perfumery and flavor formulations. In addition, it serves as a ligand or catalyst precursor in metal-catalyzed processes used in fine chemical manufacturing and polymer production. It is widely employed as a specialty chemical building block in research and development for coatings, inks, and other advanced materials. The compound may also be evaluated for use in custom syntheses where pyridine-functionalization is required.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 475.63
    methanol 327.46
    isopropanol 330.59
    water 0.61
    ethyl acetate 415.32
    n-propanol 375.25
    acetone 334.8
    n-butanol 400.68
    acetonitrile 454.8
    DMF 344.92
    toluene 408.19
    isobutanol 307.26
    1,4-dioxane 642.35
    methyl acetate 381.63
    THF 760.63
    2-butanone 482.76
    n-pentanol 358.06
    sec-butanol 359.56
    n-hexane 172.13
    ethylene glycol 44.33
    NMP 356.82
    cyclohexane 191.79
    DMSO 361.82
    n-butyl acetate 958.19
    n-octanol 280.62
    chloroform 2112.6
    n-propyl acetate 352.2
    acetic acid 296.82
    dichloromethane 2059.91
    cyclohexanone 586.62
    propylene glycol 76.74
    isopropyl acetate 239.01
    DMAc 340.27
    2-ethoxyethanol 281.63
    isopentanol 361.16
    n-heptane 236.62
    ethyl formate 383.99
    1,2-dichloroethane 810.71
    n-hexanol 684.26
    2-methoxyethanol 320.48
    isobutyl acetate 250.5
    tetrachloromethane 457.68
    n-pentyl acetate 333.41
    transcutol 867.81
    n-heptanol 287.45
    ethylbenzene 246.12
    MIBK 232.51
    2-propoxyethanol 524.97
    tert-butanol 370.81
    MTBE 418.38
    2-butoxyethanol 327.07
    propionic acid 269.51
    o-xylene 241.49
    formic acid 67.52
    diethyl ether 464.17
    m-xylene 257.91
    p-xylene 326.84
    chlorobenzene 560.04
    dimethyl carbonate 108.98
    n-octane 82.35
    formamide 92.67
    cyclopentanone 523.77
    2-pentanone 361.25
    anisole 328.83
    cyclopentyl methyl ether 404.96
    gamma-butyrolactone 534.56
    1-methoxy-2-propanol 252.43
    pyridine 780.09
    3-pentanone 301.01
    furfural 580.16
    n-dodecane 60.38
    diethylene glycol 218.71
    diisopropyl ether 156.45
    tert-amyl alcohol 383.53
    acetylacetone 273.27
    n-hexadecane 66.23
    acetophenone 281.22
    methyl propionate 271.16
    isopentyl acetate 642.64
    trichloroethylene 1430.6
    n-nonanol 226.63
    cyclohexanol 316.76
    benzyl alcohol 246.21
    2-ethylhexanol 487.01
    isooctanol 205.41
    dipropyl ether 559.81
    1,2-dichlorobenzene 446.64
    ethyl lactate 120.04
    propylene carbonate 435.33
    n-methylformamide 190.9
    2-pentanol 271.88
    n-pentane 140.16
    1-propoxy-2-propanol 440.3
    1-methoxy-2-propyl acetate 358.36
    2-(2-methoxypropoxy) propanol 254.33
    mesitylene 160.85
    ε-caprolactone 508.64
    p-cymene 242.3
    epichlorohydrin 727.28
    1,1,1-trichloroethane 867.66
    2-aminoethanol 115.79
    morpholine-4-carbaldehyde 394.13
    sulfolane 482.78
    2,2,4-trimethylpentane 77.58
    2-methyltetrahydrofuran 707.24
    n-hexyl acetate 444.65
    isooctane 56.7
    2-(2-butoxyethoxy)ethanol 337.43
    sec-butyl acetate 232.0
    tert-butyl acetate 241.89
    decalin 97.02
    glycerin 86.66
    diglyme 602.1
    acrylic acid 198.79
    isopropyl myristate 179.64
    n-butyric acid 454.87
    acetyl acetate 227.01
    di(2-ethylhexyl) phthalate 159.19
    ethyl propionate 261.34
    nitromethane 331.59
    1,2-diethoxyethane 565.66
    benzonitrile 513.03
    trioctyl phosphate 123.69
    1-bromopropane 761.34
    gamma-valerolactone 525.62
    n-decanol 169.19
    triethyl phosphate 163.52
    4-methyl-2-pentanol 162.23
    propionitrile 464.77
    vinylene carbonate 435.39
    1,1,2-trichlorotrifluoroethane 363.25
    DMS 221.3
    cumene 179.97
    2-octanol 197.29
    2-hexanone 394.49
    octyl acetate 222.63
    limonene 337.71
    1,2-dimethoxyethane 550.89
    ethyl orthosilicate 173.38
    tributyl phosphate 156.28
    diacetone alcohol 216.45
    N,N-dimethylaniline 239.89
    acrylonitrile 452.02
    aniline 357.88
    1,3-propanediol 190.51
    bromobenzene 671.19
    dibromomethane 1464.99
    1,1,2,2-tetrachloroethane 1021.06
    2-methyl-cyclohexyl acetate 301.37
    tetrabutyl urea 195.79
    diisobutyl methanol 207.72
    2-phenylethanol 371.6
    styrene 308.58
    dioctyl adipate 220.34
    dimethyl sulfate 136.03
    ethyl butyrate 510.07
    methyl lactate 99.64
    butyl lactate 204.19
    diethyl carbonate 293.23
    propanediol butyl ether 227.34
    triethyl orthoformate 291.13
    p-tert-butyltoluene 210.53
    methyl 4-tert-butylbenzoate 245.55
    morpholine 611.91
    tert-butylamine 313.45
    n-dodecanol 137.97
    dimethoxymethane 267.11
    ethylene carbonate 364.3
    cyrene 183.47
    2-ethoxyethyl acetate 352.07
    2-ethylhexyl acetate 564.27
    1,2,4-trichlorobenzene 461.9
    4-methylpyridine 687.4
    dibutyl ether 450.17
    2,6-dimethyl-4-heptanol 207.72
    DEF 395.96
    dimethyl isosorbide 402.39
    tetrachloroethylene 712.79
    eugenol 236.49
    triacetin 257.77
    span 80 249.54
    1,4-butanediol 97.23
    1,1-dichloroethane 921.42
    2-methyl-1-pentanol 345.71
    methyl formate 160.51
    2-methyl-1-butanol 354.58
    n-decane 95.94
    butyronitrile 626.32
    3,7-dimethyl-1-octanol 252.1
    1-chlorooctane 282.44
    1-chlorotetradecane 113.46
    n-nonane 105.42
    undecane 73.84
    tert-butylcyclohexane 103.17
    cyclooctane 74.87
    cyclopentanol 300.57
    tetrahydropyran 718.65
    tert-amyl methyl ether 314.02
    2,5,8-trioxanonane 396.38
    1-hexene 448.15
    2-isopropoxyethanol 226.01
    2,2,2-trifluoroethanol 86.84
    methyl butyrate 402.05

    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