2-Ethyl-3,5-dimethylpyridine

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  • Identifiers

    CAS number
    1123-96-2

    Molecular formula
    C9H13N

    SMILES
    CCC1=C(C=C(C=N1)C)C

    Safety labels

  • Odor profile

    Fragrance
    Green 66.11%
    Earthy 61.85%
    Nutty 52.03%
    Roasted 48.79%
    Musty 39.91%
    Animal 37.3%
    Burnt 36.63%
    Leathery 35.59%
    Fatty 34.34%
    Hazelnut 31.73%

     

    Flavor
    Earthy 47.54%
    Woody 46.19%
    Nutty 44.87%
    Musty 38.56%
    Roasted 36.01%
    Spicy 35.72%
    Meaty 31.95%
    Leather 31.29%
    Potato 30.68%
    Herbal 28.43%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    5.83 (weak acid)

    Molecular weight
    135.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    200°C

    Flash point

    • 56.7 ˚C est.

  • Synonyms

    • 2-Ethyl-3,5-dimethylpyridine
    • Parvoline
    • UNII-06CS7VYH7Y
    • EINECS 214-383-9
    • .alpha.-Parvoline
    • 06CS7VYH7Y
    • DTXSID30149991
    • alpha-Parvoline
    • RefChem:86883
    • DTXCID5072482
    • QLUUXTUCKOZMEL-UHFFFAOYSA-N
    • 1123-96-2
    • Pyridine,2-ethyl-3,5-dimethyl-
    • 2-ethyl-3,5-dimethyl-pyridine
    • MFCD00051049
    • 3,5-Dimethyl-2-ethylpyridine
    • Pyridine, 2-ethyl-3,5-dimethyl-
    • 3,5-Lutidine, 2-ethyl-
    • SCHEMBL661675
    • SCHEMBL661676
    • SCHEMBL873234
    • SCHEMBL3941754
    • SCHEMBL29384905
    • AKOS006273527
    • SB54933
    • BS-51715
    • DB-060205
    • CS-0321319
    • NS00023635
    • E77044
    • Q27236199
    • 1123-96-2

  • Applications

    2-Ethyl-3,5-dimethylpyridine (CAS 1123-96-2) is primarily used as an organic synthesis intermediate and building block for the preparation of other substituted pyridines. In industry, it commonly serves as a precursor for intermediates used in the manufacture of pharmaceuticals and agricultural chemicals, enabling the construction of pyridine-containing target molecules with desired activity. It may also function as a starting material for specialty chemicals, including metal-ligand and catalyst components employed in various industrial processes. In fragrance chemistry, this pyridine derivative may be evaluated as an odorant or fragrance precursor in formulations, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1308.61
    methanol 1488.62
    isopropanol 700.51
    water 1.54
    ethyl acetate 1020.5
    n-propanol 963.92
    acetone 951.82
    n-butanol 980.33
    acetonitrile 1291.47
    DMF 771.09
    toluene 832.51
    isobutanol 702.04
    1,4-dioxane 1731.49
    methyl acetate 799.51
    THF 2112.21
    2-butanone 953.95
    n-pentanol 821.49
    sec-butanol 755.43
    n-hexane 604.37
    ethylene glycol 96.26
    NMP 872.98
    cyclohexane 627.19
    DMSO 618.47
    n-butyl acetate 2313.84
    n-octanol 598.77
    chloroform 3558.34
    n-propyl acetate 826.36
    acetic acid 612.25
    dichloromethane 3983.45
    cyclohexanone 1421.33
    propylene glycol 118.1
    isopropyl acetate 578.87
    DMAc 586.78
    2-ethoxyethanol 663.91
    isopentanol 809.36
    n-heptane 764.17
    ethyl formate 903.59
    1,2-dichloroethane 1722.22
    n-hexanol 1576.21
    2-methoxyethanol 839.12
    isobutyl acetate 569.73
    tetrachloromethane 1075.44
    n-pentyl acetate 812.18
    transcutol 1428.26
    n-heptanol 638.39
    ethylbenzene 514.41
    MIBK 540.21
    2-propoxyethanol 1282.14
    tert-butanol 734.09
    MTBE 1024.09
    2-butoxyethanol 713.58
    propionic acid 481.63
    o-xylene 457.09
    formic acid 197.22
    diethyl ether 1576.18
    m-xylene 546.39
    p-xylene 662.31
    chlorobenzene 1088.26
    dimethyl carbonate 254.49
    n-octane 245.89
    formamide 242.56
    cyclopentanone 1272.26
    2-pentanone 902.94
    anisole 628.48
    cyclopentyl methyl ether 1113.65
    gamma-butyrolactone 1305.32
    1-methoxy-2-propanol 493.56
    pyridine 1479.62
    3-pentanone 711.08
    furfural 1094.07
    n-dodecane 147.06
    diethylene glycol 457.4
    diisopropyl ether 482.73
    tert-amyl alcohol 743.81
    acetylacetone 606.76
    n-hexadecane 163.39
    acetophenone 507.08
    methyl propionate 628.24
    isopentyl acetate 1423.13
    trichloroethylene 2623.43
    n-nonanol 486.4
    cyclohexanol 765.28
    benzyl alcohol 451.26
    2-ethylhexanol 1074.46
    isooctanol 466.32
    dipropyl ether 1637.97
    1,2-dichlorobenzene 922.93
    ethyl lactate 214.24
    propylene carbonate 877.67
    n-methylformamide 548.14
    2-pentanol 629.54
    n-pentane 485.4
    1-propoxy-2-propanol 965.52
    1-methoxy-2-propyl acetate 785.35
    2-(2-methoxypropoxy) propanol 415.01
    mesitylene 364.06
    ε-caprolactone 1121.46
    p-cymene 539.91
    epichlorohydrin 1652.19
    1,1,1-trichloroethane 1746.32
    2-aminoethanol 258.95
    morpholine-4-carbaldehyde 899.13
    sulfolane 1005.67
    2,2,4-trimethylpentane 204.05
    2-methyltetrahydrofuran 1785.78
    n-hexyl acetate 995.36
    isooctane 164.59
    2-(2-butoxyethoxy)ethanol 601.81
    sec-butyl acetate 514.61
    tert-butyl acetate 543.0
    decalin 258.96
    glycerin 129.38
    diglyme 1148.29
    acrylic acid 339.43
    isopropyl myristate 365.16
    n-butyric acid 961.78
    acetyl acetate 474.28
    di(2-ethylhexyl) phthalate 289.67
    ethyl propionate 614.78
    nitromethane 773.58
    1,2-diethoxyethane 1330.44
    benzonitrile 926.35
    trioctyl phosphate 247.26
    1-bromopropane 1529.85
    gamma-valerolactone 1346.41
    n-decanol 355.63
    triethyl phosphate 335.42
    4-methyl-2-pentanol 355.55
    propionitrile 1039.2
    vinylene carbonate 868.27
    1,1,2-trichlorotrifluoroethane 657.33
    DMS 446.78
    cumene 372.21
    2-octanol 462.17
    2-hexanone 896.94
    octyl acetate 463.48
    limonene 784.45
    1,2-dimethoxyethane 1334.18
    ethyl orthosilicate 371.13
    tributyl phosphate 313.29
    diacetone alcohol 407.52
    N,N-dimethylaniline 435.28
    acrylonitrile 894.53
    aniline 606.92
    1,3-propanediol 462.07
    bromobenzene 1320.53
    dibromomethane 2891.13
    1,1,2,2-tetrachloroethane 1840.75
    2-methyl-cyclohexyl acetate 613.53
    tetrabutyl urea 372.85
    diisobutyl methanol 448.43
    2-phenylethanol 732.03
    styrene 611.79
    dioctyl adipate 405.02
    dimethyl sulfate 261.45
    ethyl butyrate 1165.45
    methyl lactate 176.76
    butyl lactate 384.81
    diethyl carbonate 629.06
    propanediol butyl ether 399.48
    triethyl orthoformate 662.46
    p-tert-butyltoluene 460.59
    methyl 4-tert-butylbenzoate 424.7
    morpholine 1596.14
    tert-butylamine 687.83
    n-dodecanol 277.61
    dimethoxymethane 797.51
    ethylene carbonate 781.17
    cyrene 329.04
    2-ethoxyethyl acetate 789.48
    2-ethylhexyl acetate 1315.51
    1,2,4-trichlorobenzene 882.22
    4-methylpyridine 1394.55
    dibutyl ether 1072.14
    2,6-dimethyl-4-heptanol 448.43
    DEF 892.47
    dimethyl isosorbide 753.41
    tetrachloroethylene 1478.54
    eugenol 407.88
    triacetin 449.6
    span 80 408.65
    1,4-butanediol 224.66
    1,1-dichloroethane 1772.6
    2-methyl-1-pentanol 734.3
    methyl formate 475.43
    2-methyl-1-butanol 817.9
    n-decane 250.48
    butyronitrile 1481.71
    3,7-dimethyl-1-octanol 500.94
    1-chlorooctane 631.32
    1-chlorotetradecane 244.55
    n-nonane 288.45
    undecane 182.57
    tert-butylcyclohexane 266.34
    cyclooctane 270.86
    cyclopentanol 710.96
    tetrahydropyran 2049.71
    tert-amyl methyl ether 778.92
    2,5,8-trioxanonane 665.99
    1-hexene 1118.45
    2-isopropoxyethanol 473.46
    2,2,2-trifluoroethanol 181.08
    methyl butyrate 862.61

    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