3-Pyridinecarboxaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    500-22-1

    Molecular formula
    C6H5NO

    SMILES
    C1=CC(=CN=C1)C=O

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Nutty 70.08%
    Almond 58.98%
    Spicy 54.19%
    Sweet 52.27%
    Burnt 44.92%
    Bitter 43.74%
    Herbal 40.8%
    Woody 39.87%
    Cherry 39.68%
    Roasted 38.36%

     

    Flavor
    Sweet 55.47%
    Almond 49.46%
    Woody 49.25%
    Bitter 39.64%
    Cherry 36.09%
    Nutty 34.28%
    Cinnamon 31.7%
    Balsam 27.86%
    Medical 27.53%
    Tobacco 27.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    4.78 (weak acid)

    Molecular weight
    107.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    214°C

    Flash point

    • 81.83 ˚C est.

  • Synonyms

    • 3-Pyridinecarboxaldehyde
    • Nicotinaldehyde
    • 500-22-1
    • Pyridine-3-carbaldehyde
    • 3-Pyridinaldehyde
    • Pyridine-3-carboxaldehyde
    • Nicotinealdehyde
    • 3-Pyridylcarboxaldehyde
    • Pyridine-3-aldehyde
    • Nicotinic aldehyde
    • 3-FORMYLPYRIDINE
    • 3-Pyridylaldehyde
    • 3-Pyridinealdehyde
    • Rowalind
    • 3-Pyridenecarboxaldehyde
    • 3-Pyridinecarbaldehyde
    • 3-Pyridine carboxaldehyde
    • NSC 8952
    • 3-Nicotinaldehyde
    • EINECS 207-900-4
    • UNII-840R4IDQ1T
    • MFCD00006382
    • BRN 0105343
    • CHEBI:28345
    • AI3-33231
    • NSC-8952
    • .beta.-Pyridinecarbonaldehyde
    • 840R4IDQ1T
    • CHEMBL268493
    • DTXSID2022044
    • NICOTINALDEHYDE [WHO-DD]
    • 5-21-07-00334 (Beilstein Handbook Reference)
    • pyridine, 3-formyl-
    • beta-Pyridinecarbonaldehyde
    • 3Formylpyridine
    • nicotin-aldehyde
    • 3Pyridinaldehyde
    • 3Pyridylaldehyde
    • nicotine aldehyde
    • nicotine-aldehyde
    • 3Pyridinealdehyde
    • 3-picolinaldehyde
    • 3-pyridinaidehyde
    • 3-formyl-pyridine
    • pyridin-3-aldehyde
    • Pyridine3carbaldehyde
    • PncA Inhibitor, 2
    • 3Pyridylcarboxaldehyde
    • Pyridine3carboxaldehyde
    • 3-pyridinecarboaldehyde
    • pyridin-3-carbaldehyde
    • 3-pyridine carbaldehyde
    • pyridine-3 carbaldehyde
    • pyridine 3carboxaldehyde
    • 3-pyridyl carboxaldehyde
    • 3-pyridyl-carboxaldehyde
    • pyridin-3-carboxaldehyde
    • pyridine-3-carboaldehyde
    • betaPyridinecarbonaldehyde
    • 3-pyridine-carboxaldehyde
    • pryidine-5-carboxaldehyde
    • pyridine 3-carboxaldehyde
    • pyridine-5-carboxaldehyde
    • pyridine-3 -carboxaldehyde
    • SCHEMBL55950
    • Nicotinamidase Inhibitor, 16
    • NICOTINALDEHYDE [INCI]
    • 3-Pyridinecarboxaldehyde, 98%
    • DTXCID002044
    • NSC8952
    • CS-D1122
    • STR00136
    • BDBM50026863
    • CGA300407 MB 10
    • STL185602
    • AKOS000119053
    • AB00744
    • AC-2428
    • FP12066
    • Nicotinaldehyde;Pyridine-3-carboxaldehyde
    • DB-016185
    • N0090
    • NS00031995
    • EN300-18992
    • C07327
    • A827936
    • Q17325466
    • F2190-0612
    • Z104472124
    • 3-pyridinecarboxaldehyde; nicotinaldehyde; pyridine-3-carboxaldehyde
    • 3-Pyridinemethanol or 3-pyridinecarboxaldehyde or nicotinaldehyde
    • 207-900-4
    • PYF

  • Applications

    3-Pyridinecarboxaldehyde (CAS 500-22-1) is a versatile building block for organic synthesis, commonly used as an intermediate in pharmaceutical and agrochemical development; it provides a pyridine-containing scaffold for constructing heterocycles and drug-like compounds; it serves as a ligand precursor in coordination chemistry and catalysis through Schiff-base formation with amines; it is used as a building block for dyes, pigments, and functional polymers/coatings; the aldehyde functionality enables further functionalization for materials science and sensor-related applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 156.4
    methanol 273.67
    isopropanol 76.1
    water 18.82
    ethyl acetate 143.3
    n-propanol 123.2
    acetone 115.94
    n-butanol 85.28
    acetonitrile 143.43
    DMF 759.48
    toluene 58.8
    isobutanol 79.86
    1,4-dioxane 188.72
    methyl acetate 189.0
    THF 142.5
    2-butanone 145.98
    n-pentanol 70.01
    sec-butanol 62.72
    n-hexane 1.89
    ethylene glycol 108.94
    NMP 371.82
    cyclohexane 3.02
    DMSO 362.4
    n-butyl acetate 91.05
    n-octanol 23.82
    chloroform 185.2
    n-propyl acetate 90.39
    acetic acid 236.31
    dichloromethane 194.97
    cyclohexanone 140.33
    propylene glycol 57.98
    isopropyl acetate 55.02
    DMAc 499.56
    2-ethoxyethanol 186.86
    isopentanol 69.6
    n-heptane 4.42
    ethyl formate 124.11
    1,2-dichloroethane 154.15
    n-hexanol 64.62
    2-methoxyethanol 298.33
    isobutyl acetate 53.7
    tetrachloromethane 29.08
    n-pentyl acetate 40.38
    transcutol 648.71
    n-heptanol 29.43
    ethylbenzene 24.79
    MIBK 53.76
    2-propoxyethanol 162.11
    tert-butanol 83.35
    MTBE 51.72
    2-butoxyethanol 92.13
    propionic acid 199.73
    o-xylene 43.73
    formic acid 297.99
    diethyl ether 57.98
    m-xylene 43.54
    p-xylene 36.04
    chlorobenzene 85.65
    dimethyl carbonate 89.63
    n-octane 1.41
    formamide 441.67
    cyclopentanone 158.88
    2-pentanone 91.77
    anisole 84.32
    cyclopentyl methyl ether 79.86
    gamma-butyrolactone 262.46
    1-methoxy-2-propanol 156.51
    pyridine 246.47
    3-pentanone 79.11
    furfural 350.43
    n-dodecane 1.5
    diethylene glycol 179.79
    diisopropyl ether 14.39
    tert-amyl alcohol 69.03
    acetylacetone 96.96
    n-hexadecane 1.69
    acetophenone 96.56
    methyl propionate 145.73
    isopentyl acetate 65.99
    trichloroethylene 327.41
    n-nonanol 22.04
    cyclohexanol 56.57
    benzyl alcohol 86.62
    2-ethylhexanol 39.97
    isooctanol 25.15
    dipropyl ether 42.21
    1,2-dichlorobenzene 83.23
    ethyl lactate 55.22
    propylene carbonate 140.61
    n-methylformamide 439.2
    2-pentanol 44.7
    n-pentane 2.26
    1-propoxy-2-propanol 104.92
    1-methoxy-2-propyl acetate 99.05
    2-(2-methoxypropoxy) propanol 103.14
    mesitylene 23.28
    ε-caprolactone 146.24
    p-cymene 22.6
    epichlorohydrin 272.62
    1,1,1-trichloroethane 102.39
    2-aminoethanol 148.46
    morpholine-4-carbaldehyde 385.78
    sulfolane 247.61
    2,2,4-trimethylpentane 3.07
    2-methyltetrahydrofuran 115.58
    n-hexyl acetate 49.22
    isooctane 2.47
    2-(2-butoxyethoxy)ethanol 146.3
    sec-butyl acetate 50.26
    tert-butyl acetate 53.34
    decalin 3.73
    glycerin 123.34
    diglyme 302.64
    acrylic acid 209.82
    isopropyl myristate 18.47
    n-butyric acid 167.86
    acetyl acetate 75.89
    di(2-ethylhexyl) phthalate 27.97
    ethyl propionate 74.25
    nitromethane 477.8
    1,2-diethoxyethane 103.89
    benzonitrile 115.88
    trioctyl phosphate 17.95
    1-bromopropane 55.08
    gamma-valerolactone 287.51
    n-decanol 17.08
    triethyl phosphate 33.73
    4-methyl-2-pentanol 29.45
    propionitrile 143.81
    vinylene carbonate 168.76
    1,1,2-trichlorotrifluoroethane 273.44
    DMS 75.53
    cumene 19.7
    2-octanol 15.34
    2-hexanone 72.78
    octyl acetate 25.83
    limonene 28.28
    1,2-dimethoxyethane 231.46
    ethyl orthosilicate 30.75
    tributyl phosphate 24.36
    diacetone alcohol 88.83
    N,N-dimethylaniline 60.69
    acrylonitrile 240.36
    aniline 118.45
    1,3-propanediol 152.88
    bromobenzene 73.0
    dibromomethane 99.95
    1,1,2,2-tetrachloroethane 220.0
    2-methyl-cyclohexyl acetate 43.84
    tetrabutyl urea 39.34
    diisobutyl methanol 23.7
    2-phenylethanol 76.67
    styrene 34.15
    dioctyl adipate 36.11
    dimethyl sulfate 139.14
    ethyl butyrate 71.95
    methyl lactate 92.89
    butyl lactate 49.4
    diethyl carbonate 52.82
    propanediol butyl ether 80.9
    triethyl orthoformate 47.49
    p-tert-butyltoluene 20.23
    methyl 4-tert-butylbenzoate 63.78
    morpholine 239.88
    tert-butylamine 44.78
    n-dodecanol 13.22
    dimethoxymethane 195.72
    ethylene carbonate 114.49
    cyrene 90.06
    2-ethoxyethyl acetate 83.89
    2-ethylhexyl acetate 50.1
    1,2,4-trichlorobenzene 106.17
    4-methylpyridine 211.15
    dibutyl ether 25.69
    2,6-dimethyl-4-heptanol 23.7
    DEF 218.22
    dimethyl isosorbide 143.27
    tetrachloroethylene 153.28
    eugenol 83.08
    triacetin 72.47
    span 80 61.36
    1,4-butanediol 68.86
    1,1-dichloroethane 106.5
    2-methyl-1-pentanol 59.07
    methyl formate 266.84
    2-methyl-1-butanol 71.35
    n-decane 2.12
    butyronitrile 104.4
    3,7-dimethyl-1-octanol 30.01
    1-chlorooctane 12.12
    1-chlorotetradecane 5.51
    n-nonane 1.87
    undecane 1.76
    tert-butylcyclohexane 4.21
    cyclooctane 1.46
    cyclopentanol 68.9
    tetrahydropyran 101.3
    tert-amyl methyl ether 44.42
    2,5,8-trioxanonane 195.53
    1-hexene 12.64
    2-isopropoxyethanol 107.11
    2,2,2-trifluoroethanol 150.81
    methyl butyrate 107.25

    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

Botanical

Name CAS Botanical Proportion
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.01%