N-Formylpiperidine

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  • Identifiers

    CAS number
    2591-86-8

    Molecular formula
    C6H11NO

    SMILES
    C1CCN(CC1)C=O

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 38.78%
    Nutty 35.63%
    Roasted 32.62%
    Popcorn 31.37%
    Green 31.0%
    Cheesy 27.76%
    Pungent 27.14%
    Animal 26.3%
    Burnt 21.92%
    Musty 21.04%

     

    Flavor
    Bitter 36.93%
    Spicy 30.68%
    Fatty 27.81%
    Animal 24.85%
    Floral 24.73%
    Oily 24.45%
    Shrimp 23.96%
    Alkaline 23.17%
    Sweet 22.51%
    Amine 21.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.0

    pKa est.
    7.26 (neutral)

    Molecular weight
    113.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    228°C

    Melting point expt.

    • -30.8 °C

    Flash point

    • 83.64 ˚C est.

  • Synonyms

    • N-Formylpiperidine
    • 2591-86-8
    • piperidine-1-carbaldehyde
    • 1-Formylpiperidine
    • 1-Piperidinecarboxaldehyde
    • Formylpiperidine
    • Piperidinoformamide
    • N-Formylpiperidin
    • Piperidine-N-carbaldehyde
    • PIPERIDINE, 1-FORMYL-
    • 1-Piperidinecarbaldehyde
    • Piperidine-1-carboxaldehyde
    • N-Piperidinecarboxaldehyde
    • N-Formylpiperidin [German]
    • N-Carbaldehyde piperidine
    • ZIQ29H6CZG
    • NSC 1066
    • EINECS 219-986-0
    • 1-formyl-piperidine
    • NSC 404158
    • DTXSID8043941
    • FORMYLPIPERIDIDE
    • AI3-15238
    • NSC-1066
    • MFCD00006483
    • NSC-404158
    • DTXCID6023941
    • WLN: T6NTJ AVH
    • N-Formylpiperidin (german)
    • FPI
    • N-Formyl piperdine
    • 1-Formyl piperidine
    • UNII-ZIQ29H6CZG
    • n-formylpiperdine
    • Formyl piperidine
    • N- formylpiperidine
    • N-formyl piperidine
    • N-formyl-piperidine
    • piperidinecarboxaldehyde
    • 1-Formylpiperidine, 99%
    • 1-Piperidinecarbaldehyde #
    • SCHEMBL2638
    • CHEMBL1232817
    • NSC1066
    • CHEBI:193610
    • BCP20086
    • Tox21_302107
    • NSC404158
    • AKOS000297086
    • CS-W016610
    • DB04113
    • SB42936
    • NCGC00255934-01
    • PS-11953
    • CAS-2591-86-8
    • DB-004071
    • F0234
    • NS00003291
    • D77795
    • EN300-133690
    • A833967
    • Q6951369
    • F1984-0370
    • Z1255415437
    • InChI=1/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H

  • Applications

    N-Formylpiperidine (CAS 2591-86-8) is used primarily as an intermediate in the synthesis of piperidine-containing pharmaceuticals and fine chemicals; it can serve as a formyl donor for formylation reactions and the preparation of formamides, enabling subsequent transformations; it is often used as a protecting group source for amine functionality in multi-step organic syntheses; in pharmaceutical and chemical manufacturing, it acts as a building block for more complex piperidine derivatives and heterocycles; it may also be evaluated as a specialty reagent in customized synthesis workflows, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 126.32
    methanol 236.87
    isopropanol 73.08
    water 9.16
    ethyl acetate 61.34
    n-propanol 101.65
    acetone 51.98
    n-butanol 73.12
    acetonitrile 70.96
    DMF 156.74
    toluene 24.31
    isobutanol 62.04
    1,4-dioxane 106.6
    methyl acetate 70.91
    THF 95.23
    2-butanone 48.45
    n-pentanol 40.36
    sec-butanol 54.41
    n-hexane 2.5
    ethylene glycol 85.72
    NMP 167.98
    cyclohexane 6.61
    DMSO 156.13
    n-butyl acetate 57.36
    n-octanol 23.43
    chloroform 463.93
    n-propyl acetate 32.39
    acetic acid 321.48
    dichloromethane 310.35
    cyclohexanone 111.32
    propylene glycol 73.8
    isopropyl acetate 29.43
    DMAc 97.36
    2-ethoxyethanol 66.65
    isopentanol 50.55
    n-heptane 3.56
    ethyl formate 82.55
    1,2-dichloroethane 136.26
    n-hexanol 59.36
    2-methoxyethanol 164.02
    isobutyl acetate 19.67
    tetrachloromethane 55.25
    n-pentyl acetate 32.6
    transcutol 262.63
    n-heptanol 29.94
    ethylbenzene 13.1
    MIBK 19.49
    2-propoxyethanol 103.02
    tert-butanol 61.2
    MTBE 19.03
    2-butoxyethanol 67.23
    propionic acid 185.76
    o-xylene 22.37
    formic acid 226.76
    diethyl ether 22.91
    m-xylene 19.23
    p-xylene 20.74
    chlorobenzene 90.98
    dimethyl carbonate 24.72
    n-octane 1.74
    formamide 199.03
    cyclopentanone 122.12
    2-pentanone 32.6
    anisole 31.16
    cyclopentyl methyl ether 38.33
    gamma-butyrolactone 229.75
    1-methoxy-2-propanol 90.77
    pyridine 165.62
    3-pentanone 28.87
    furfural 274.63
    n-dodecane 1.7
    diethylene glycol 113.12
    diisopropyl ether 6.67
    tert-amyl alcohol 46.34
    acetylacetone 47.55
    n-hexadecane 1.92
    acetophenone 41.41
    methyl propionate 51.34
    isopentyl acetate 44.3
    trichloroethylene 357.62
    n-nonanol 21.03
    cyclohexanol 61.4
    benzyl alcohol 50.67
    2-ethylhexanol 31.14
    isooctanol 23.39
    dipropyl ether 20.62
    1,2-dichlorobenzene 95.92
    ethyl lactate 31.68
    propylene carbonate 128.66
    n-methylformamide 165.1
    2-pentanol 35.08
    n-pentane 3.06
    1-propoxy-2-propanol 69.88
    1-methoxy-2-propyl acetate 55.06
    2-(2-methoxypropoxy) propanol 60.36
    mesitylene 13.66
    ε-caprolactone 121.65
    p-cymene 16.49
    epichlorohydrin 158.42
    1,1,1-trichloroethane 122.08
    2-aminoethanol 130.54
    morpholine-4-carbaldehyde 148.77
    sulfolane 215.92
    2,2,4-trimethylpentane 2.68
    2-methyltetrahydrofuran 73.7
    n-hexyl acetate 42.82
    isooctane 1.91
    2-(2-butoxyethoxy)ethanol 85.23
    sec-butyl acetate 19.61
    tert-butyl acetate 25.69
    decalin 3.79
    glycerin 123.45
    diglyme 135.44
    acrylic acid 214.98
    isopropyl myristate 14.13
    n-butyric acid 175.92
    acetyl acetate 54.98
    di(2-ethylhexyl) phthalate 26.69
    ethyl propionate 28.39
    nitromethane 251.41
    1,2-diethoxyethane 46.96
    benzonitrile 87.89
    trioctyl phosphate 17.09
    1-bromopropane 53.13
    gamma-valerolactone 183.18
    n-decanol 15.32
    triethyl phosphate 25.41
    4-methyl-2-pentanol 18.61
    propionitrile 76.27
    vinylene carbonate 153.09
    1,1,2-trichlorotrifluoroethane 219.8
    DMS 47.14
    cumene 11.67
    2-octanol 16.4
    2-hexanone 23.33
    octyl acetate 21.14
    limonene 20.92
    1,2-dimethoxyethane 64.7
    ethyl orthosilicate 23.17
    tributyl phosphate 22.66
    diacetone alcohol 45.11
    N,N-dimethylaniline 22.53
    acrylonitrile 142.44
    aniline 76.88
    1,3-propanediol 131.08
    bromobenzene 79.83
    dibromomethane 176.58
    1,1,2,2-tetrachloroethane 269.8
    2-methyl-cyclohexyl acetate 33.33
    tetrabutyl urea 28.37
    diisobutyl methanol 17.39
    2-phenylethanol 57.63
    styrene 17.98
    dioctyl adipate 27.62
    dimethyl sulfate 47.94
    ethyl butyrate 38.74
    methyl lactate 54.14
    butyl lactate 44.75
    diethyl carbonate 33.28
    propanediol butyl ether 65.46
    triethyl orthoformate 30.43
    p-tert-butyltoluene 14.99
    methyl 4-tert-butylbenzoate 47.24
    morpholine 126.14
    tert-butylamine 34.13
    n-dodecanol 11.44
    dimethoxymethane 46.72
    ethylene carbonate 105.04
    cyrene 55.46
    2-ethoxyethyl acetate 49.57
    2-ethylhexyl acetate 34.41
    1,2,4-trichlorobenzene 114.69
    4-methylpyridine 101.74
    dibutyl ether 16.42
    2,6-dimethyl-4-heptanol 17.39
    DEF 58.11
    dimethyl isosorbide 88.42
    tetrachloroethylene 228.35
    eugenol 56.55
    triacetin 52.06
    span 80 57.98
    1,4-butanediol 45.19
    1,1-dichloroethane 123.23
    2-methyl-1-pentanol 32.43
    methyl formate 106.32
    2-methyl-1-butanol 50.14
    n-decane 2.5
    butyronitrile 62.96
    3,7-dimethyl-1-octanol 24.16
    1-chlorooctane 12.58
    1-chlorotetradecane 5.22
    n-nonane 2.25
    undecane 2.0
    tert-butylcyclohexane 3.76
    cyclooctane 2.24
    cyclopentanol 86.15
    tetrahydropyran 70.17
    tert-amyl methyl ether 17.87
    2,5,8-trioxanonane 98.94
    1-hexene 10.31
    2-isopropoxyethanol 38.49
    2,2,2-trifluoroethanol 140.48
    methyl butyrate 42.27

    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