4-Pyridinecarboxaldehyde

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  • Identifiers

    CAS number
    872-85-5

    Molecular formula
    C6H5NO

    SMILES
    C1=CN=CC=C1C=O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 73.47%
    Almond 61.47%
    Sweet 53.58%
    Spicy 51.44%
    Burnt 48.16%
    Bitter 43.57%
    Cherry 40.19%
    Roasted 40.17%
    Pungent 39.48%
    Phenolic 39.4%

     

    Flavor
    Almond 54.59%
    Sweet 52.38%
    Woody 44.06%
    Cherry 38.79%
    Bitter 34.64%
    Cinnamon 33.27%
    Nutty 30.07%
    Sulfur 29.4%
    Burnt sugar 28.38%
    Balsam 27.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    4.28 (weak acid)

    Molecular weight
    107.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    205°C

    Flash point

    • 89.45 ˚C est.

  • Synonyms

    • 4-Pyridinecarboxaldehyde
    • Isonicotinaldehyde
    • Pyridine-4-carbaldehyde
    • 4-FORMYLPYRIDINE
    • Isonicotinic aldehyde
    • 4-Pyridinealdehyde
    • p-Pyridinealdehyde
    • p-Formylpyridine
    • 4-Pyridylaldehyde
    • 4-Pyridinecarbaldehyde
    • NSC 8953
    • Pyridine-4-aldehyde
    • EINECS 212-832-3
    • AI3-33232
    • NSC-8953
    • pyridin-4-ylcarboxaldehyde
    • DTXSID1061237
    • EC 212-832-3
    • P577557492
    • 4formylpyridine
    • 4pyridylaldehyde
    • pPyridinealdehyde
    • 4Pyridinealdehyde
    • I3-Formylpyridine
    • Pyridine4carbaldehyde
    • Pyridine4carboxaldehyde
    • RefChem:100445
    • DTXCID3048574
    • BGUWFUQJCDRPTL-UHFFFAOYSA-N
    • InChI=1/C6H5NO/c8-5-6-1-3-7-4-2-6/h1-5
    • 872-85-5
    • Pyridine-4-carboxaldehyde
    • MFCD00006425
    • gamma-Formylpyridine
    • pyridine, 4-formyl-
    • 4-pyridine carboxaldehyde
    • (4-Pyridinecarboxaldehyde)
    • 4-picolinaldehyde
    • |A-Formylpyridine
    • NSC8953
    • 4-Formyl-pyridine
    • Pyridin-4-al
    • piridine-4-aldehyde
    • pyridine 4-aldehyde
    • 4-pyridylformaldehyde
    • pyridine4-carbaldehyde
    • 4-pyrdinecarboxaldehyde
    • 4-pyridincarboxaldehyde
    • 4-pyridinecaboxaldehyde
    • 4-pyridinecarboaldehyde
    • pyridin-4-carbaldehyde
    • 4-pyridine carbaldehyde
    • 4-pyridine-formaldehyde
    • pyridine 4-carbaldehyde
    • pyridine-4 carbaldehyde
    • pyridine-4carboxaldehyde
    • pyridine4-carboxaldehyde
    • 4-pyridine carboaldehyde
    • pyridin-4-carboxaldehyde
    • 4 -pyridinecarboxaldehyde
    • 4-pyridine-carboxaldehyde
    • 4-pyridinecarbox-aldehyde
    • pyridine 4-carboxaldehyde
    • PYRIDIN-4-ALDEHYDE
    • Pyridine-4-ylcarboxaldehyde
    • SCHEMBL28473
    • SCHEMBL61618
    • 4-Pyridinecarboxaldehyde, 97%
    • SCHEMBL5747006
    • SCHEMBL7953444
    • CHEMBL2251606
    • BB_SC-06717
    • CS-D1135
    • BBL025920
    • SBB004357
    • STL281177
    • UNII-P577557492
    • AKOS000119727
    • AB00754
    • AC-2103
    • EBC-457064
    • AS-30155
    • DB-031936
    • I0143
    • NS00003365
    • ST50213352
    • EN300-18111
    • F091501
    • Q23636732
    • Z57161993
    • F1294-0084
    • 872-85-5

  • Applications

    4-Pyridinecarboxaldehyde (CAS 872-85-5) is a versatile building block used as an intermediate in organic synthesis. In industry, it serves as a precursor for nitrogen-containing heterocycles, Schiff base ligands, and metal-binding complexes employed in catalysis and materials science. It is used in polymer and coating chemistries as a functional aldehyde to enable imine crosslinking, enhancing adhesion, thermal stability, and solvent resistance in resins, coatings, and adhesives. In pharmaceutical and agrochemical R&D, it is commonly evaluated as an intermediate for heterocyclic scaffolds and related drug-like molecules. It also finds use in dye and pigment chemistry for constructing pyridine-containing chromophores and in research on organic electronic and sensor materials due to its pyridinyl aldehyde functionality.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 36.33
    methanol 49.94
    isopropanol 21.83
    water 10.43
    ethyl acetate 40.13
    n-propanol 37.42
    acetone 16.45
    n-butanol 31.02
    acetonitrile 54.48
    DMF 154.12
    toluene 16.14
    isobutanol 27.23
    1,4-dioxane 53.54
    methyl acetate 57.06
    THF 40.28
    2-butanone 39.53
    n-pentanol 26.06
    sec-butanol 27.22
    n-hexane 0.9
    ethylene glycol 22.07
    NMP 110.46
    cyclohexane 1.37
    DMSO 115.87
    n-butyl acetate 34.77
    n-octanol 9.17
    chloroform 73.8
    n-propyl acetate 34.98
    acetic acid 106.05
    dichloromethane 83.18
    cyclohexanone 52.51
    propylene glycol 13.0
    isopropyl acetate 20.65
    DMAc 176.26
    2-ethoxyethanol 56.94
    isopentanol 29.95
    n-heptane 2.19
    ethyl formate 38.32
    1,2-dichloroethane 61.01
    n-hexanol 22.13
    2-methoxyethanol 78.57
    isobutyl acetate 20.07
    tetrachloromethane 13.22
    n-pentyl acetate 19.27
    transcutol 298.11
    n-heptanol 12.8
    ethylbenzene 9.52
    MIBK 20.61
    2-propoxyethanol 48.03
    tert-butanol 32.49
    MTBE 18.34
    2-butoxyethanol 37.49
    propionic acid 80.42
    o-xylene 17.39
    formic acid 107.09
    diethyl ether 17.54
    m-xylene 13.66
    p-xylene 15.78
    chlorobenzene 32.1
    dimethyl carbonate 24.13
    n-octane 0.75
    formamide 189.91
    cyclopentanone 51.39
    2-pentanone 25.84
    anisole 33.14
    cyclopentyl methyl ether 25.98
    gamma-butyrolactone 99.23
    1-methoxy-2-propanol 45.34
    pyridine 116.06
    3-pentanone 26.34
    furfural 142.53
    n-dodecane 0.74
    diethylene glycol 51.46
    diisopropyl ether 5.53
    tert-amyl alcohol 34.3
    acetylacetone 28.74
    n-hexadecane 0.8
    acetophenone 44.1
    methyl propionate 40.82
    isopentyl acetate 29.2
    trichloroethylene 134.84
    n-nonanol 9.23
    cyclohexanol 24.29
    benzyl alcohol 34.26
    2-ethylhexanol 16.76
    isooctanol 12.37
    dipropyl ether 16.97
    1,2-dichlorobenzene 37.47
    ethyl lactate 22.17
    propylene carbonate 57.69
    n-methylformamide 109.81
    2-pentanol 18.56
    n-pentane 1.09
    1-propoxy-2-propanol 34.36
    1-methoxy-2-propyl acetate 35.15
    2-(2-methoxypropoxy) propanol 50.9
    mesitylene 8.94
    ε-caprolactone 61.96
    p-cymene 10.73
    epichlorohydrin 96.36
    1,1,1-trichloroethane 41.61
    2-aminoethanol 41.66
    morpholine-4-carbaldehyde 128.56
    sulfolane 110.28
    2,2,4-trimethylpentane 1.58
    2-methyltetrahydrofuran 43.42
    n-hexyl acetate 21.67
    isooctane 1.04
    2-(2-butoxyethoxy)ethanol 64.03
    sec-butyl acetate 21.74
    tert-butyl acetate 22.07
    decalin 1.87
    glycerin 34.26
    diglyme 138.01
    acrylic acid 84.47
    isopropyl myristate 9.5
    n-butyric acid 76.21
    acetyl acetate 27.2
    di(2-ethylhexyl) phthalate 13.83
    ethyl propionate 29.11
    nitromethane 185.69
    1,2-diethoxyethane 44.56
    benzonitrile 56.39
    trioctyl phosphate 8.73
    1-bromopropane 20.52
    gamma-valerolactone 98.23
    n-decanol 7.55
    triethyl phosphate 19.2
    4-methyl-2-pentanol 13.87
    propionitrile 60.75
    vinylene carbonate 65.42
    1,1,2-trichlorotrifluoroethane 115.32
    DMS 30.3
    cumene 9.54
    2-octanol 7.21
    2-hexanone 29.96
    octyl acetate 12.37
    limonene 13.7
    1,2-dimethoxyethane 78.95
    ethyl orthosilicate 17.62
    tributyl phosphate 12.46
    diacetone alcohol 36.73
    N,N-dimethylaniline 29.31
    acrylonitrile 98.83
    aniline 44.22
    1,3-propanediol 46.51
    bromobenzene 23.76
    dibromomethane 40.54
    1,1,2,2-tetrachloroethane 95.44
    2-methyl-cyclohexyl acetate 23.52
    tetrabutyl urea 19.36
    diisobutyl methanol 11.33
    2-phenylethanol 31.19
    styrene 12.64
    dioctyl adipate 19.43
    dimethyl sulfate 52.32
    ethyl butyrate 31.28
    methyl lactate 28.6
    butyl lactate 21.44
    diethyl carbonate 25.94
    propanediol butyl ether 30.11
    triethyl orthoformate 22.96
    p-tert-butyltoluene 9.16
    methyl 4-tert-butylbenzoate 33.81
    morpholine 77.34
    tert-butylamine 18.93
    n-dodecanol 6.1
    dimethoxymethane 39.65
    ethylene carbonate 45.45
    cyrene 43.81
    2-ethoxyethyl acetate 34.46
    2-ethylhexyl acetate 23.55
    1,2,4-trichlorobenzene 49.33
    4-methylpyridine 81.63
    dibutyl ether 12.29
    2,6-dimethyl-4-heptanol 11.33
    DEF 73.1
    dimethyl isosorbide 74.6
    tetrachloroethylene 75.98
    eugenol 41.05
    triacetin 34.24
    span 80 30.66
    1,4-butanediol 20.04
    1,1-dichloroethane 36.52
    2-methyl-1-pentanol 28.58
    methyl formate 57.87
    2-methyl-1-butanol 29.75
    n-decane 1.02
    butyronitrile 45.37
    3,7-dimethyl-1-octanol 13.57
    1-chlorooctane 5.26
    1-chlorotetradecane 2.61
    n-nonane 0.9
    undecane 0.84
    tert-butylcyclohexane 2.01
    cyclooctane 0.66
    cyclopentanol 24.43
    tetrahydropyran 33.17
    tert-amyl methyl ether 18.77
    2,5,8-trioxanonane 94.23
    1-hexene 5.43
    2-isopropoxyethanol 38.3
    2,2,2-trifluoroethanol 70.86
    methyl butyrate 44.74

    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