6-Methyl-2-pyridinecarboxaldehyde

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  • Identifiers

    CAS number
    1122-72-1

    Molecular formula
    C7H7NO

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 59.27%
    Green 46.71%
    Roasted 44.53%
    Almond 41.9%
    Burnt 39.91%
    Spicy 38.81%
    Musty 36.44%
    Herbal 33.5%
    Coffee 32.0%
    Bitter 31.7%

     

    Flavor
    Almond 44.11%
    Woody 41.33%
    Nutty 36.08%
    Cherry 31.95%
    Cocoa 31.57%
    Sweet 30.6%
    Sulfur 29.31%
    Oily 28.27%
    Spice 25.88%
    Chocolate 25.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    4.77 (weak acid)

    Molecular weight
    121.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    213°C

    Flash point

    • 86.81 ˚C est.

  • Synonyms

    • 6-Methyl-2-pyridinecarboxaldehyde
    • 1122-72-1
    • 6-Methylpicolinaldehyde
    • 6-Methylpyridine-2-carboxaldehyde
    • 2-Formyl-6-methylpyridine
    • 2-Pyridinecarboxaldehyde, 6-methyl-
    • 6-Methylpyridine-2-aldehyde
    • 6-Methyl-2-picolinaldehyde
    • Picolinaldehyde, 6-methyl-
    • 2-Methyl-6-pyridinecarboxaldehyde
    • 0RNR5L79R2
    • NSC-8954
    • DTXSID5061530
    • RefChem:104990
    • DTXCID7033286
    • 214-359-8
    • 6-Methylpyridine-2-carbaldehyde
    • 6-Methyl-2-pyridinecarbaldehyde
    • MFCD00006291
    • 6-Methylpyridyl-2-aldehyde
    • 6-methyl-pyridine-2-carbaldehyde
    • 2-formyl-6-picoline
    • 2-Picoline-6-carboxaldehyde
    • NSC 8954
    • EINECS 214-359-8
    • Ligand L (pyridine)
    • 2-methyl-6-formylpyridine
    • 6-methyl-2-formylpyridine
    • 6-methylpyridin-2-aldehyde
    • UNII-0RNR5L79R2
    • 6-methyl-pyridine-2-aldehyde
    • 6-Methyl pyridine-2-aldehyde
    • SCHEMBL230251
    • SCHEMBL2519386
    • 6-methyl-pyridine-2-carbaldeyde
    • SCHEMBL29951696
    • 6-methylpyridin-2-carboxaldehyde
    • AHISYUZBWDSPQL-UHFFFAOYSA-
    • 6-methyl,2-pyridinecarboxaldehyde
    • 6-Methyl-2-pyridine-carbaldehyde
    • NSC8954
    • 6-methylpyridine-2-carboxyaldehyde
    • 6-methyl-2-pyridine carboxaldehyde
    • 6-methyl-2-pyridine-carboxaldehyde
    • 6-methyl-pyridine-2-carboxaldehyde
    • STR05660
    • BBL104413
    • GEO-01923
    • SBB004287
    • STK503795
    • AKOS005258371
    • AB00683
    • AC-5120
    • CS-W007849
    • 6-Methylpyridine-2-carboxaldehyde, 98%
    • BP-10068
    • SY007849
    • DB-012787
    • M1157
    • NS00023621
    • ST50946659
    • 22M721
    • EN300-112748
    • F021900
    • F2191-0165
    • Z1079442396
    • InChI=1/C7H7NO/c1-6-3-2-4-7(5-9)8-6/h2-5H,1H3
    • 6-Methylpyridine-2-carboxaldehyde;6-Methyl-2-pyridinecarboxaldehyde; 2-Picoline-6-carboxaldehyde
    • 1122-72-1

  • Applications

    6-Methyl-2-pyridinecarboxaldehyde (CAS 1122-72-1) is primarily used as an intermediate in organic synthesis, serving as a building block for heteroaromatic compounds and for pharmaceutical and agrochemical targets. In industry, it is commonly employed in the preparation of pharmaceutical and agrochemical intermediates, as well as for dye and pigment precursor synthesis. It also serves as a precursor in fragrance chemistry, enabling formation of aroma compounds, and as a reactive aldehyde for polymer and coating chemistries where imine or Schiff base linkages can be formed. Additionally, it can function as a ligand or building block in coordination chemistry and catalyst development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 98.29
    methanol 167.02
    isopropanol 45.35
    water 3.19
    ethyl acetate 123.64
    n-propanol 63.18
    acetone 146.02
    n-butanol 53.5
    acetonitrile 126.15
    DMF 342.32
    toluene 72.0
    isobutanol 38.76
    1,4-dioxane 251.53
    methyl acetate 128.37
    THF 178.62
    2-butanone 107.36
    n-pentanol 41.35
    sec-butanol 32.84
    n-hexane 5.11
    ethylene glycol 59.52
    NMP 219.96
    cyclohexane 7.05
    DMSO 428.16
    n-butyl acetate 86.2
    n-octanol 24.63
    chloroform 219.86
    n-propyl acetate 57.79
    acetic acid 110.05
    dichloromethane 281.6
    cyclohexanone 147.49
    propylene glycol 30.8
    isopropyl acetate 49.84
    DMAc 233.82
    2-ethoxyethanol 90.62
    isopentanol 46.7
    n-heptane 7.39
    ethyl formate 92.85
    1,2-dichloroethane 208.62
    n-hexanol 64.43
    2-methoxyethanol 175.02
    isobutyl acetate 35.88
    tetrachloromethane 33.88
    n-pentyl acetate 38.37
    transcutol 397.22
    n-heptanol 24.63
    ethylbenzene 28.77
    MIBK 45.8
    2-propoxyethanol 126.78
    tert-butanol 65.79
    MTBE 53.32
    2-butoxyethanol 58.25
    propionic acid 85.65
    o-xylene 44.15
    formic acid 96.69
    diethyl ether 84.05
    m-xylene 46.55
    p-xylene 34.57
    chlorobenzene 102.73
    dimethyl carbonate 59.46
    n-octane 2.94
    formamide 127.08
    cyclopentanone 161.35
    2-pentanone 81.36
    anisole 72.32
    cyclopentyl methyl ether 75.88
    gamma-butyrolactone 225.32
    1-methoxy-2-propanol 101.45
    pyridine 168.19
    3-pentanone 76.52
    furfural 239.94
    n-dodecane 2.98
    diethylene glycol 137.0
    diisopropyl ether 18.87
    tert-amyl alcohol 44.66
    acetylacetone 111.48
    n-hexadecane 3.37
    acetophenone 66.6
    methyl propionate 112.64
    isopentyl acetate 67.18
    trichloroethylene 301.68
    n-nonanol 22.98
    cyclohexanol 46.94
    benzyl alcohol 54.69
    2-ethylhexanol 38.8
    isooctanol 20.39
    dipropyl ether 44.53
    1,2-dichlorobenzene 85.69
    ethyl lactate 37.03
    propylene carbonate 112.09
    n-methylformamide 169.92
    2-pentanol 30.06
    n-pentane 5.2
    1-propoxy-2-propanol 80.81
    1-methoxy-2-propyl acetate 87.07
    2-(2-methoxypropoxy) propanol 76.36
    mesitylene 27.34
    ε-caprolactone 126.74
    p-cymene 23.95
    epichlorohydrin 248.02
    1,1,1-trichloroethane 118.91
    2-aminoethanol 66.32
    morpholine-4-carbaldehyde 245.67
    sulfolane 248.46
    2,2,4-trimethylpentane 4.14
    2-methyltetrahydrofuran 112.45
    n-hexyl acetate 52.68
    isooctane 3.37
    2-(2-butoxyethoxy)ethanol 99.2
    sec-butyl acetate 35.66
    tert-butyl acetate 53.46
    decalin 6.88
    glycerin 59.9
    diglyme 185.02
    acrylic acid 91.24
    isopropyl myristate 24.85
    n-butyric acid 89.82
    acetyl acetate 69.52
    di(2-ethylhexyl) phthalate 29.87
    ethyl propionate 56.02
    nitromethane 255.94
    1,2-diethoxyethane 106.54
    benzonitrile 80.95
    trioctyl phosphate 20.77
    1-bromopropane 92.05
    gamma-valerolactone 233.91
    n-decanol 18.87
    triethyl phosphate 34.31
    4-methyl-2-pentanol 22.73
    propionitrile 97.68
    vinylene carbonate 125.55
    1,1,2-trichlorotrifluoroethane 142.83
    DMS 71.11
    cumene 21.14
    2-octanol 16.22
    2-hexanone 53.61
    octyl acetate 30.81
    limonene 31.01
    1,2-dimethoxyethane 163.19
    ethyl orthosilicate 32.64
    tributyl phosphate 28.49
    diacetone alcohol 71.78
    N,N-dimethylaniline 49.01
    acrylonitrile 135.94
    aniline 80.78
    1,3-propanediol 79.02
    bromobenzene 103.67
    dibromomethane 171.41
    1,1,2,2-tetrachloroethane 198.25
    2-methyl-cyclohexyl acetate 42.77
    tetrabutyl urea 38.68
    diisobutyl methanol 24.13
    2-phenylethanol 61.57
    styrene 40.04
    dioctyl adipate 37.48
    dimethyl sulfate 108.78
    ethyl butyrate 55.88
    methyl lactate 57.53
    butyl lactate 37.86
    diethyl carbonate 46.06
    propanediol butyl ether 52.5
    triethyl orthoformate 41.72
    p-tert-butyltoluene 22.86
    methyl 4-tert-butylbenzoate 52.21
    morpholine 200.6
    tert-butylamine 38.27
    n-dodecanol 15.59
    dimethoxymethane 160.47
    ethylene carbonate 97.61
    cyrene 65.07
    2-ethoxyethyl acetate 72.0
    2-ethylhexyl acetate 53.44
    1,2,4-trichlorobenzene 95.69
    4-methylpyridine 145.32
    dibutyl ether 34.57
    2,6-dimethyl-4-heptanol 24.13
    DEF 115.42
    dimethyl isosorbide 126.03
    tetrachloroethylene 136.81
    eugenol 61.09
    triacetin 58.72
    span 80 51.14
    1,4-butanediol 36.25
    1,1-dichloroethane 149.16
    2-methyl-1-pentanol 39.84
    methyl formate 138.23
    2-methyl-1-butanol 40.42
    n-decane 4.22
    butyronitrile 83.5
    3,7-dimethyl-1-octanol 30.27
    1-chlorooctane 19.17
    1-chlorotetradecane 9.7
    n-nonane 3.86
    undecane 3.52
    tert-butylcyclohexane 6.78
    cyclooctane 3.2
    cyclopentanol 49.91
    tetrahydropyran 127.24
    tert-amyl methyl ether 42.46
    2,5,8-trioxanonane 137.04
    1-hexene 22.37
    2-isopropoxyethanol 59.46
    2,2,2-trifluoroethanol 58.05
    methyl butyrate 74.33

    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