2,3,5-Trimethylpyridine

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  • Identifiers

    CAS number
    695-98-7

    Molecular formula
    C8H11N

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 57.03%
    Nutty 56.81%
    Roasted 56.53%
    Earthy 55.32%
    Musty 43.98%
    Burnt 41.07%
    Animal 39.15%
    Leathery 37.74%
    Coffee 37.02%
    Fatty 36.41%

     

    Flavor
    Nutty 49.43%
    Musty 43.02%
    Earthy 39.46%
    Roasted 39.19%
    Cocoa 38.5%
    Leather 35.61%
    Coffee 35.07%
    Woody 35.05%
    Burnt 33.04%
    Phenolic 30.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    5.55 (weak acid)

    Molecular weight
    121.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    190°C

    Flash point

    • 50.11 ˚C est.

  • Synonyms

    • 2,3,5-Trimethylpyridine
    • 695-98-7
    • 2,3,5-COLLIDINE
    • Pyridine, 2,3,5-trimethyl-
    • EINECS 211-786-1
    • 33642OT638
    • DTXSID80219734
    • UNII-33642OT638
    • RefChem:81413
    • DTXCID30142225
    • 211-786-1
    • GFYHSKONPJXCDE-UHFFFAOYSA-N
    • 2,3,5-Trimethyl pyridine
    • MFCD00126840
    • 2,3,5-trimethyl-pyridine
    • Esomeprazole Impurity 9
    • 2,3,5-Trimethyl-pyridin
    • Esomeprazole Impurity 111
    • SCHEMBL7487
    • 2,3,5-Collidine, 99%
    • orb3029997
    • SCHEMBL1725641
    • SCHEMBL3588833
    • SCHEMBL9087886
    • SCHEMBL28902083
    • SCHEMBL29382337
    • AKOS005258308
    • AC-6868
    • CS-W011200
    • FT02862
    • SB52291
    • AS-10876
    • DB-024217
    • A9201
    • NS00020874
    • T1722
    • EN300-97797
    • 2,3,5-Collidine; 2,3,5-Trimethyl-pyridine;
    • F11272
    • F219272
    • Q27891716
    • 2,3,5-Trimethylpyridine(Discontinued,See C4X-1112111)
    • 695-98-7

  • Applications

    2,3,5-Trimethylpyridine (CAS 695-98-7) is primarily used as an organic synthesis intermediate, serving as a building block for pyridine-containing compounds in pharmaceuticals, crop protection chemicals, and dyes. It is also employed as a solvent or processing aid in industrial manufacturing, including coatings, inks, and adhesives. Additionally, this methylated pyridine derivative can serve as a precursor for ligands and catalysts used in chemical synthesis and polymerization. In fragrance and perfumery, it may be used as a fragrance ingredient or odor note. It can also function as a processing additive or stabilizer in polymers and coatings to aid formulation and processing. These points are indicative and depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 893.85
    methanol 1069.2
    isopropanol 694.4
    water 7.84
    ethyl acetate 765.03
    n-propanol 802.0
    acetone 663.12
    n-butanol 806.26
    acetonitrile 666.4
    DMF 740.5
    toluene 586.19
    isobutanol 678.12
    1,4-dioxane 1308.89
    methyl acetate 686.54
    THF 1381.71
    2-butanone 721.87
    n-pentanol 608.82
    sec-butanol 738.96
    n-hexane 483.85
    ethylene glycol 148.31
    NMP 719.96
    cyclohexane 295.23
    DMSO 505.93
    n-butyl acetate 805.71
    n-octanol 425.45
    chloroform 2250.17
    n-propyl acetate 493.2
    acetic acid 411.17
    dichloromethane 1981.88
    cyclohexanone 913.71
    propylene glycol 198.69
    isopropyl acetate 493.37
    DMAc 661.67
    2-ethoxyethanol 601.37
    isopentanol 695.59
    n-heptane 293.1
    ethyl formate 509.54
    1,2-dichloroethane 1020.6
    n-hexanol 900.72
    2-methoxyethanol 787.08
    isobutyl acetate 380.17
    tetrachloromethane 781.36
    n-pentyl acetate 466.48
    transcutol 1090.46
    n-heptanol 448.8
    ethylbenzene 361.59
    MIBK 470.49
    2-propoxyethanol 971.71
    tert-butanol 778.25
    MTBE 997.6
    2-butoxyethanol 573.02
    propionic acid 483.39
    o-xylene 393.92
    formic acid 181.03
    diethyl ether 1101.91
    m-xylene 414.58
    p-xylene 461.37
    chlorobenzene 659.02
    dimethyl carbonate 247.03
    n-octane 138.62
    formamide 207.78
    cyclopentanone 909.11
    2-pentanone 658.28
    anisole 566.3
    cyclopentyl methyl ether 915.19
    gamma-butyrolactone 917.5
    1-methoxy-2-propanol 633.55
    pyridine 803.74
    3-pentanone 614.68
    furfural 826.54
    n-dodecane 86.75
    diethylene glycol 456.72
    diisopropyl ether 400.01
    tert-amyl alcohol 783.33
    acetylacetone 515.96
    n-hexadecane 95.14
    acetophenone 433.69
    methyl propionate 594.75
    isopentyl acetate 664.76
    trichloroethylene 1561.09
    n-nonanol 359.64
    cyclohexanol 627.45
    benzyl alcohol 394.43
    2-ethylhexanol 577.57
    isooctanol 363.2
    dipropyl ether 732.9
    1,2-dichlorobenzene 591.87
    ethyl lactate 217.46
    propylene carbonate 570.28
    n-methylformamide 458.82
    2-pentanol 636.81
    n-pentane 335.73
    1-propoxy-2-propanol 687.34
    1-methoxy-2-propyl acetate 502.92
    2-(2-methoxypropoxy) propanol 361.4
    mesitylene 279.68
    ε-caprolactone 818.73
    p-cymene 269.28
    epichlorohydrin 1151.95
    1,1,1-trichloroethane 1301.37
    2-aminoethanol 335.12
    morpholine-4-carbaldehyde 798.02
    sulfolane 867.03
    2,2,4-trimethylpentane 177.12
    2-methyltetrahydrofuran 1272.43
    n-hexyl acetate 616.02
    isooctane 131.34
    2-(2-butoxyethoxy)ethanol 507.15
    sec-butyl acetate 375.19
    tert-butyl acetate 508.74
    decalin 185.62
    glycerin 223.18
    diglyme 857.96
    acrylic acid 342.5
    isopropyl myristate 250.13
    n-butyric acid 722.93
    acetyl acetate 390.62
    di(2-ethylhexyl) phthalate 200.1
    ethyl propionate 456.65
    nitromethane 606.73
    1,2-diethoxyethane 718.9
    benzonitrile 498.26
    trioctyl phosphate 164.04
    1-bromopropane 918.44
    gamma-valerolactone 1030.31
    n-decanol 265.57
    triethyl phosphate 219.38
    4-methyl-2-pentanol 370.99
    propionitrile 668.43
    vinylene carbonate 564.96
    1,1,2-trichlorotrifluoroethane 621.46
    DMS 337.41
    cumene 293.43
    2-octanol 332.47
    2-hexanone 540.39
    octyl acetate 317.78
    limonene 376.7
    1,2-dimethoxyethane 924.33
    ethyl orthosilicate 239.76
    tributyl phosphate 196.51
    diacetone alcohol 454.96
    N,N-dimethylaniline 428.09
    acrylonitrile 600.07
    aniline 564.83
    1,3-propanediol 453.46
    bromobenzene 727.65
    dibromomethane 1454.19
    1,1,2,2-tetrachloroethane 1305.11
    2-methyl-cyclohexyl acetate 373.73
    tetrabutyl urea 237.26
    diisobutyl methanol 303.16
    2-phenylethanol 505.87
    styrene 397.13
    dioctyl adipate 261.21
    dimethyl sulfate 308.81
    ethyl butyrate 513.95
    methyl lactate 245.41
    butyl lactate 276.68
    diethyl carbonate 301.2
    propanediol butyl ether 359.09
    triethyl orthoformate 338.97
    p-tert-butyltoluene 267.25
    methyl 4-tert-butylbenzoate 387.68
    morpholine 1166.81
    tert-butylamine 643.37
    n-dodecanol 206.82
    dimethoxymethane 665.08
    ethylene carbonate 509.75
    cyrene 322.35
    2-ethoxyethyl acetate 488.43
    2-ethylhexyl acetate 573.04
    1,2,4-trichlorobenzene 624.53
    4-methylpyridine 929.71
    dibutyl ether 575.5
    2,6-dimethyl-4-heptanol 303.16
    DEF 758.94
    dimethyl isosorbide 577.91
    tetrachloroethylene 1019.87
    eugenol 368.42
    triacetin 325.76
    span 80 331.62
    1,4-butanediol 237.88
    1,1-dichloroethane 1264.96
    2-methyl-1-pentanol 576.16
    methyl formate 367.0
    2-methyl-1-butanol 717.39
    n-decane 147.62
    butyronitrile 746.55
    3,7-dimethyl-1-octanol 387.12
    1-chlorooctane 403.05
    1-chlorotetradecane 161.65
    n-nonane 163.58
    undecane 109.0
    tert-butylcyclohexane 212.62
    cyclooctane 146.61
    cyclopentanol 633.67
    tetrahydropyran 1205.78
    tert-amyl methyl ether 800.02
    2,5,8-trioxanonane 531.18
    1-hexene 800.82
    2-isopropoxyethanol 477.78
    2,2,2-trifluoroethanol 200.58
    methyl butyrate 577.74

    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