2,3,6-Trimethylpyridine

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  • Identifiers

    CAS number
    1462-84-6

    Molecular formula
    C8H11N

    SMILES
    CC1=C(N=C(C=C1)C)C

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 63.04%
    Roasted 59.07%
    Green 58.96%
    Earthy 55.2%
    Musty 53.14%
    Burnt 46.64%
    Fishy 45.01%
    Animal 44.26%
    Herbal 44.09%
    Coffee 42.24%

     

    Flavor
    Nutty 64.12%
    Cocoa 53.09%
    Roasted 50.5%
    Musty 46.88%
    Coffee 45.24%
    Burnt 39.03%
    Earthy 37.59%
    Roast 37.25%
    Hazelnut 33.95%
    Leather 33.17%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    5.61 (weak acid)

    Molecular weight
    121.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • 12 °F (NTP, 1992)

    Boiling point

    • 343 to 345 °F at 760 mmHg (NTP, 1992)

    Flash point

    • 45.62 ˚C est.

  • Synonyms

    • 2,3,6-TRIMETHYLPYRIDINE
    • 1462-84-6
    • Pyridine, 2,3,6-trimethyl-
    • 2,3,6-Collidine
    • 0G31C4W0MI
    • NSC-76593
    • UNII-0G31C4W0MI
    • EINECS 215-970-2
    • NSC 76593
    • Pyridine,3,6-trimethyl-
    • 2,3,6-trimethyl-pyridine
    • UNII-S396YQ63EL
    • SCHEMBL82917
    • SCHEMBL312453
    • S396YQ63EL
    • SCHEMBL4460937
    • DTXSID5051731
    • SCHEMBL11033098
    • SCHEMBL15652055
    • SCHEMBL17431328
    • SCHEMBL29504006
    • NSC76593
    • SBB061698
    • AKOS006274053
    • DB-042833
    • NS00024781
    • ST51047687
    • AO-801/41077394
    • Q27236734
    • 1462-84-6

  • Applications

    2,3,6-Trimethylpyridine is used primarily as an intermediate in the synthesis of pharmaceutical and agrochemical products. It also serves as a specialty solvent or reaction medium for various organic-chemical manufacturing steps. In catalysis, it is employed as a pyridine-derived ligand or base to facilitate homogeneous and heterogeneous processes. Additionally, it acts as a building block for the preparation of other pyridine derivatives and related specialty chemicals in industrial manufacturing, with its use commonly evaluated on a project basis and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1011.14
    methanol 1394.87
    isopropanol 764.22
    water 11.91
    ethyl acetate 669.96
    n-propanol 918.16
    acetone 626.13
    n-butanol 863.02
    acetonitrile 588.56
    DMF 889.62
    toluene 531.65
    isobutanol 694.55
    1,4-dioxane 1212.85
    methyl acetate 641.85
    THF 1373.04
    2-butanone 677.45
    n-pentanol 593.62
    sec-butanol 784.06
    n-hexane 347.95
    ethylene glycol 211.84
    NMP 870.6
    cyclohexane 245.21
    DMSO 691.65
    n-butyl acetate 475.79
    n-octanol 343.38
    chloroform 1980.68
    n-propyl acetate 329.88
    acetic acid 396.19
    dichloromethane 1760.84
    cyclohexanone 866.62
    propylene glycol 276.96
    isopropyl acetate 397.77
    DMAc 762.43
    2-ethoxyethanol 597.94
    isopentanol 625.07
    n-heptane 180.86
    ethyl formate 413.56
    1,2-dichloroethane 903.22
    n-hexanol 748.05
    2-methoxyethanol 936.64
    isobutyl acetate 251.98
    tetrachloromethane 617.46
    n-pentyl acetate 347.76
    transcutol 934.94
    n-heptanol 355.83
    ethylbenzene 269.47
    MIBK 361.23
    2-propoxyethanol 880.66
    tert-butanol 700.08
    MTBE 749.3
    2-butoxyethanol 484.51
    propionic acid 511.24
    o-xylene 329.45
    formic acid 213.94
    diethyl ether 1019.85
    m-xylene 335.15
    p-xylene 324.64
    chlorobenzene 555.62
    dimethyl carbonate 241.64
    n-octane 89.95
    formamide 253.63
    cyclopentanone 881.09
    2-pentanone 615.54
    anisole 448.59
    cyclopentyl methyl ether 853.57
    gamma-butyrolactone 880.78
    1-methoxy-2-propanol 721.36
    pyridine 733.84
    3-pentanone 564.72
    furfural 718.15
    n-dodecane 63.48
    diethylene glycol 480.53
    diisopropyl ether 282.93
    tert-amyl alcohol 667.99
    acetylacetone 477.45
    n-hexadecane 69.54
    acetophenone 332.97
    methyl propionate 580.97
    isopentyl acetate 401.86
    trichloroethylene 1257.7
    n-nonanol 281.56
    cyclohexanol 602.03
    benzyl alcohol 352.4
    2-ethylhexanol 395.79
    isooctanol 257.86
    dipropyl ether 495.35
    1,2-dichlorobenzene 467.53
    ethyl lactate 179.75
    propylene carbonate 457.68
    n-methylformamide 556.62
    2-pentanol 610.78
    n-pentane 270.47
    1-propoxy-2-propanol 543.35
    1-methoxy-2-propyl acetate 384.73
    2-(2-methoxypropoxy) propanol 294.25
    mesitylene 213.06
    ε-caprolactone 737.09
    p-cymene 182.44
    epichlorohydrin 1046.09
    1,1,1-trichloroethane 1015.8
    2-aminoethanol 454.83
    morpholine-4-carbaldehyde 835.51
    sulfolane 877.81
    2,2,4-trimethylpentane 117.57
    2-methyltetrahydrofuran 1201.55
    n-hexyl acetate 484.13
    isooctane 82.13
    2-(2-butoxyethoxy)ethanol 424.62
    sec-butyl acetate 254.19
    tert-butyl acetate 382.01
    decalin 135.8
    glycerin 304.97
    diglyme 718.22
    acrylic acid 357.26
    isopropyl myristate 190.75
    n-butyric acid 625.99
    acetyl acetate 328.64
    di(2-ethylhexyl) phthalate 159.34
    ethyl propionate 354.92
    nitromethane 580.56
    1,2-diethoxyethane 548.14
    benzonitrile 400.88
    trioctyl phosphate 127.54
    1-bromopropane 867.5
    gamma-valerolactone 982.74
    n-decanol 208.31
    triethyl phosphate 160.15
    4-methyl-2-pentanol 295.65
    propionitrile 659.08
    vinylene carbonate 437.23
    1,1,2-trichlorotrifluoroethane 579.76
    DMS 288.07
    cumene 206.92
    2-octanol 256.6
    2-hexanone 418.66
    octyl acetate 247.78
    limonene 269.95
    1,2-dimethoxyethane 816.5
    ethyl orthosilicate 170.83
    tributyl phosphate 152.62
    diacetone alcohol 383.55
    N,N-dimethylaniline 329.25
    acrylonitrile 603.84
    aniline 544.81
    1,3-propanediol 522.96
    bromobenzene 594.37
    dibromomethane 1292.14
    1,1,2,2-tetrachloroethane 1127.54
    2-methyl-cyclohexyl acetate 264.93
    tetrabutyl urea 192.92
    diisobutyl methanol 203.67
    2-phenylethanol 408.74
    styrene 305.35
    dioctyl adipate 207.19
    dimethyl sulfate 328.64
    ethyl butyrate 324.28
    methyl lactate 261.11
    butyl lactate 222.1
    diethyl carbonate 200.94
    propanediol butyl ether 317.54
    triethyl orthoformate 232.69
    p-tert-butyltoluene 183.26
    methyl 4-tert-butylbenzoate 299.28
    morpholine 1183.77
    tert-butylamine 541.19
    n-dodecanol 164.37
    dimethoxymethane 744.91
    ethylene carbonate 399.64
    cyrene 271.85
    2-ethoxyethyl acetate 378.09
    2-ethylhexyl acetate 350.24
    1,2,4-trichlorobenzene 512.09
    4-methylpyridine 843.96
    dibutyl ether 428.58
    2,6-dimethyl-4-heptanol 203.67
    DEF 735.57
    dimethyl isosorbide 474.98
    tetrachloroethylene 855.24
    eugenol 289.06
    triacetin 271.63
    span 80 281.79
    1,4-butanediol 251.68
    1,1-dichloroethane 1111.27
    2-methyl-1-pentanol 483.67
    methyl formate 388.26
    2-methyl-1-butanol 674.9
    n-decane 102.71
    butyronitrile 682.89
    3,7-dimethyl-1-octanol 292.95
    1-chlorooctane 301.27
    1-chlorotetradecane 122.12
    n-nonane 114.15
    undecane 77.64
    tert-butylcyclohexane 148.34
    cyclooctane 108.23
    cyclopentanol 683.14
    tetrahydropyran 1114.81
    tert-amyl methyl ether 596.07
    2,5,8-trioxanonane 458.1
    1-hexene 632.06
    2-isopropoxyethanol 404.45
    2,2,2-trifluoroethanol 196.17
    methyl butyrate 420.37

    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