3,4-Dimethylpyridine

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  • Identifiers

    CAS number
    583-58-4

    Molecular formula
    C7H9N

    SMILES
    CC1=C(C=NC=C1)C

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 68.95%
    Earthy 57.42%
    Nutty 56.48%
    Roasted 52.73%
    Tobacco 47.07%
    Animal 44.72%
    Musty 43.98%
    Herbal 42.56%
    Fishy 40.47%
    Leathery 38.65%

     

    Flavor
    Nutty 65.89%
    Earthy 45.42%
    Musty 43.15%
    Roasted 42.35%
    Woody 40.85%
    Leather 38.18%
    Tobacco 37.71%
    Cocoa 36.49%
    Coffee 35.07%
    Potato 33.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    5.89 (weak acid)

    Molecular weight
    107.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    178°C

    Flash point

    • 48.76 ˚C est.

  • Synonyms

    • 3,4-Lutidine
    • 3,4-DIMETHYLPYRIDINE
    • Pyridine, 3,4-dimethyl-
    • UNII-FCU895KJ7H
    • NSC 4675
    • EINECS 209-511-5
    • FCU895KJ7H
    • 3,4-Lutidene
    • BRN 0106583
    • NSC-4675
    • DTXSID1052244
    • 5-20-06-00054 (Beilstein Handbook Reference)
    • 3,4lutidine
    • 3,4Dimethylpyridin
    • 3,4Dimetilpiridina
    • Pyridine, 3,4dimethyl
    • RefChem:91225
    • DTXCID6030815
    • UN2929
    • InChI=1/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H
    • NURQLCJSMXZBPC-UHFFFAOYSA-N
    • 583-58-4
    • MFCD00006403
    • 3,4-Dimethylpyridine; NSC 4675
    • Pyridine,3,4-dimethyl-
    • NSC4675
    • 3,4-dimethyl-pyridine
    • 3,4-Lutidine, 98%
    • A1I2X
    • SCHEMBL64272
    • SCHEMBL293751
    • SCHEMBL596935
    • SCHEMBL791245
    • WLN: T6NJ C1 D1
    • SCHEMBL3602409
    • SCHEMBL5641482
    • SCHEMBL6992297
    • SCHEMBL9902544
    • SCHEMBL29470901
    • 3,4-Lutidine, analytical standard
    • BB_SC-06614
    • BBL027583
    • SBB040907
    • STL146456
    • AKOS000269033
    • VS-08563
    • DB-053194
    • L0066
    • NS00021227
    • ST50214509
    • EN300-93082
    • Q23636064
    • 583-58-4

  • Applications

    3,4-Dimethylpyridine (CAS 583-58-4) is primarily used as an organic building block for pyridine-containing compounds. It serves as a key intermediate in the synthesis of pharmaceutical and agrochemical active ingredients, where the 3,4-dimethylpyridine ring is elaborated into more complex derivatives. It also functions as a precursor in the manufacture of dyes and pigments bearing substituted pyridine motifs. In addition, it is used in research and process development as a base and as a ligand or coordinating component in organometallic catalysts, and as a specialty reagent for introducing methylpyridine fragments into polymers and other advanced materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 353.58
    methanol 423.87
    isopropanol 219.39
    water 8.46
    ethyl acetate 410.26
    n-propanol 349.23
    acetone 186.35
    n-butanol 323.19
    acetonitrile 326.01
    DMF 269.92
    toluene 225.15
    isobutanol 215.8
    1,4-dioxane 534.61
    methyl acetate 342.59
    THF 460.99
    2-butanone 289.31
    n-pentanol 205.51
    sec-butanol 240.95
    n-hexane 59.4
    ethylene glycol 54.03
    NMP 237.62
    cyclohexane 62.74
    DMSO 198.26
    n-butyl acetate 346.53
    n-octanol 69.49
    chloroform 1302.09
    n-propyl acetate 187.09
    acetic acid 335.27
    dichloromethane 1088.0
    cyclohexanone 361.5
    propylene glycol 58.73
    isopropyl acetate 181.82
    DMAc 271.22
    2-ethoxyethanol 223.01
    isopentanol 227.22
    n-heptane 60.36
    ethyl formate 280.56
    1,2-dichloroethane 571.7
    n-hexanol 275.28
    2-methoxyethanol 326.5
    isobutyl acetate 103.96
    tetrachloromethane 332.16
    n-pentyl acetate 156.26
    transcutol 605.73
    n-heptanol 114.99
    ethylbenzene 78.42
    MIBK 127.43
    2-propoxyethanol 319.17
    tert-butanol 251.48
    MTBE 264.54
    2-butoxyethanol 176.76
    propionic acid 332.38
    o-xylene 134.23
    formic acid 192.9
    diethyl ether 439.3
    m-xylene 131.06
    p-xylene 109.75
    chlorobenzene 289.2
    dimethyl carbonate 86.29
    n-octane 18.15
    formamide 278.81
    cyclopentanone 334.31
    2-pentanone 249.93
    anisole 161.71
    cyclopentyl methyl ether 272.14
    gamma-butyrolactone 403.15
    1-methoxy-2-propanol 197.53
    pyridine 531.31
    3-pentanone 229.45
    furfural 423.06
    n-dodecane 9.05
    diethylene glycol 165.78
    diisopropyl ether 99.87
    tert-amyl alcohol 238.26
    acetylacetone 168.79
    n-hexadecane 10.15
    acetophenone 132.78
    methyl propionate 267.49
    isopentyl acetate 237.39
    trichloroethylene 902.54
    n-nonanol 68.86
    cyclohexanol 203.29
    benzyl alcohol 129.25
    2-ethylhexanol 152.6
    isooctanol 91.87
    dipropyl ether 249.26
    1,2-dichlorobenzene 229.65
    ethyl lactate 63.42
    propylene carbonate 225.38
    n-methylformamide 278.55
    2-pentanol 196.72
    n-pentane 66.25
    1-propoxy-2-propanol 241.12
    1-methoxy-2-propyl acetate 216.92
    2-(2-methoxypropoxy) propanol 117.39
    mesitylene 79.19
    ε-caprolactone 319.49
    p-cymene 69.88
    epichlorohydrin 466.62
    1,1,1-trichloroethane 614.58
    2-aminoethanol 151.44
    morpholine-4-carbaldehyde 313.45
    sulfolane 283.97
    2,2,4-trimethylpentane 30.67
    2-methyltetrahydrofuran 404.28
    n-hexyl acetate 144.21
    isooctane 23.47
    2-(2-butoxyethoxy)ethanol 173.6
    sec-butyl acetate 109.72
    tert-butyl acetate 159.85
    decalin 29.58
    glycerin 80.1
    diglyme 340.29
    acrylic acid 234.09
    isopropyl myristate 55.84
    n-butyric acid 455.99
    acetyl acetate 185.34
    di(2-ethylhexyl) phthalate 52.41
    ethyl propionate 160.66
    nitromethane 439.66
    1,2-diethoxyethane 362.88
    benzonitrile 208.92
    trioctyl phosphate 37.26
    1-bromopropane 397.98
    gamma-valerolactone 431.77
    n-decanol 51.06
    triethyl phosphate 82.28
    4-methyl-2-pentanol 99.85
    propionitrile 337.69
    vinylene carbonate 268.55
    1,1,2-trichlorotrifluoroethane 291.79
    DMS 109.51
    cumene 60.73
    2-octanol 66.22
    2-hexanone 166.97
    octyl acetate 69.03
    limonene 103.81
    1,2-dimethoxyethane 318.87
    ethyl orthosilicate 88.53
    tributyl phosphate 53.63
    diacetone alcohol 146.06
    N,N-dimethylaniline 102.31
    acrylonitrile 341.08
    aniline 301.48
    1,3-propanediol 204.42
    bromobenzene 292.5
    dibromomethane 714.04
    1,1,2,2-tetrachloroethane 643.66
    2-methyl-cyclohexyl acetate 116.35
    tetrabutyl urea 58.21
    diisobutyl methanol 81.9
    2-phenylethanol 167.25
    styrene 106.26
    dioctyl adipate 71.48
    dimethyl sulfate 104.89
    ethyl butyrate 221.02
    methyl lactate 80.49
    butyl lactate 90.59
    diethyl carbonate 133.24
    propanediol butyl ether 84.67
    triethyl orthoformate 151.85
    p-tert-butyltoluene 67.92
    methyl 4-tert-butylbenzoate 106.16
    morpholine 582.0
    tert-butylamine 195.85
    n-dodecanol 38.57
    dimethoxymethane 200.46
    ethylene carbonate 225.63
    cyrene 96.62
    2-ethoxyethyl acetate 211.83
    2-ethylhexyl acetate 195.88
    1,2,4-trichlorobenzene 263.77
    4-methylpyridine 447.94
    dibutyl ether 127.79
    2,6-dimethyl-4-heptanol 81.9
    DEF 280.25
    dimethyl isosorbide 207.5
    tetrachloroethylene 518.11
    eugenol 109.14
    triacetin 102.79
    span 80 98.86
    1,4-butanediol 70.62
    1,1-dichloroethane 625.93
    2-methyl-1-pentanol 177.76
    methyl formate 156.02
    2-methyl-1-butanol 232.95
    n-decane 17.06
    butyronitrile 321.53
    3,7-dimethyl-1-octanol 80.72
    1-chlorooctane 61.75
    1-chlorotetradecane 23.41
    n-nonane 17.18
    undecane 11.68
    tert-butylcyclohexane 32.54
    cyclooctane 23.49
    cyclopentanol 199.87
    tetrahydropyran 472.41
    tert-amyl methyl ether 202.35
    2,5,8-trioxanonane 207.12
    1-hexene 164.19
    2-isopropoxyethanol 147.9
    2,2,2-trifluoroethanol 140.73
    methyl butyrate 202.06

    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