N-methyl-2-pyridone

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  • Identifiers

    CAS number
    694-85-9

    Molecular formula
    C6H7NO

    SMILES
    CN1C=CC=CC1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 49.37%
    Sweet 44.23%
    Burnt 44.0%
    Almond 38.26%
    Bitter 38.22%
    Phenolic 37.25%
    Roasted 35.81%
    Musty 33.33%
    Tobacco 31.8%
    Caramellic 30.85%

     

    Flavor
    Bitter 43.83%
    Sweet 41.51%
    Almond 39.2%
    Woody 35.56%
    Nutty 33.06%
    Phenolic 32.66%
    Tobacco 27.71%
    Medical 26.09%
    Tonka 25.75%
    Herbal 25.1%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    5.09 (weak acid)

    Molecular weight
    109.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    226°C

    Flash point

    • 75.64 ˚C est.

  • Synonyms

    • 1-Methyl-2-pyridone
    • 694-85-9
    • 1-methylpyridin-2(1H)-one
    • 1-methylpyridin-2-one
    • N-Methyl-2-pyridone
    • 2(1H)-Pyridinone, 1-methyl-
    • 1-Methyl-2(1H)-pyridinone
    • 1-Methyl-2-pyridinone
    • 1-Methyl-2(1H)-pyridone
    • N-Methylpyridone
    • 2(1H)-PYRIDONE, 1-METHYL-
    • 1-Methylpyridine-2-one
    • 1-Methyl-1,2-dihydro-2-pyridinone
    • NSC 9383
    • NY6MVO4K7R
    • EINECS 211-777-2
    • BRN 0107805
    • AI3-11540
    • NSC-9383
    • MFCD00006520
    • DTXSID8061008
    • 5-21-07-00109 (Beilstein Handbook Reference)
    • 1-methyl-1,2-dihydropyridin-2-one
    • 94071-56-4
    • NMethylpyridone
    • NMethyl2pyridone
    • NSC9383
    • 1Methyl2pyridinone
    • 1Methylpyridine2one
    • 1Methyl2(1H)pyridone
    • N-methylpyridinium oxide
    • 1-Methyl-2-oxopyridine
    • 1Methyl2(1H)pyridinone
    • UNII-NY6MVO4K7R
    • 2(1H)Pyridone, 1methyl
    • 2(1H)Pyridinone, 1methyl
    • SCHEMBL17685
    • 1-methyl-1H-pyridin-2-one
    • 1Methyl1,2dihydro2pyridinone
    • 1-methylpyridin-1-ium-2-ol
    • CHEMBL12607
    • SCHEMBL9496826
    • DTXCID6046501
    • SCHEMBL25572898
    • N-Methyl-2-pyridone, >=99%
    • CHEBI:194916
    • NSC176168
    • AKOS006306699
    • AKOS015891684
    • NSC-176168
    • 859803-97-7
    • DS-14672
    • SY023863
    • Pyridinium,2-hydroxy-1-methyl-,inner salt
    • DB-019243
    • CS-0063949
    • M0412
    • NS00036863
    • EN300-122028
    • AC-907/25014126
    • F0001-1804
    • InChI=1/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5H,1H

  • Applications

    N-methyl-2-pyridone (CAS number: 694-85-9) is primarily used as a reactive intermediate and a polar solvent in organic synthesis. In industry, it is commonly employed as a solvent or co-solvent in polymer, coating, and ink formulations; it serves as a building block and precursor for heterocyclic compounds used in pharmaceutical and agrochemical synthesis. It is also used as a processing aid in adhesive and sealant formulations, and may be evaluated as a specialty solvent for electronics manufacturing and industrial cleaning or in R&D work related to heterocyclic chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 202.42
    methanol 362.68
    isopropanol 120.38
    water 48.61
    ethyl acetate 76.18
    n-propanol 143.24
    acetone 76.33
    n-butanol 123.69
    acetonitrile 156.5
    DMF 217.24
    toluene 59.14
    isobutanol 108.1
    1,4-dioxane 154.09
    methyl acetate 96.49
    THF 163.33
    2-butanone 93.45
    n-pentanol 96.38
    sec-butanol 100.72
    n-hexane 6.88
    ethylene glycol 58.62
    NMP 190.46
    cyclohexane 6.16
    DMSO 184.01
    n-butyl acetate 54.07
    n-octanol 20.84
    chloroform 369.51
    n-propyl acetate 43.94
    acetic acid 300.12
    dichloromethane 404.24
    cyclohexanone 115.2
    propylene glycol 42.73
    isopropyl acetate 36.07
    DMAc 212.45
    2-ethoxyethanol 131.68
    isopentanol 104.16
    n-heptane 5.36
    ethyl formate 103.43
    1,2-dichloroethane 177.05
    n-hexanol 57.58
    2-methoxyethanol 205.42
    isobutyl acetate 27.53
    tetrachloromethane 64.62
    n-pentyl acetate 41.68
    transcutol 302.51
    n-heptanol 31.69
    ethylbenzene 19.65
    MIBK 45.51
    2-propoxyethanol 93.71
    tert-butanol 125.54
    MTBE 71.33
    2-butoxyethanol 65.57
    propionic acid 139.44
    o-xylene 42.98
    formic acid 336.98
    diethyl ether 81.5
    m-xylene 35.43
    p-xylene 34.69
    chlorobenzene 87.96
    dimethyl carbonate 27.7
    n-octane 2.17
    formamide 371.68
    cyclopentanone 137.11
    2-pentanone 67.17
    anisole 57.66
    cyclopentyl methyl ether 71.18
    gamma-butyrolactone 177.31
    1-methoxy-2-propanol 100.56
    pyridine 204.41
    3-pentanone 55.44
    furfural 242.85
    n-dodecane 1.62
    diethylene glycol 86.9
    diisopropyl ether 18.02
    tert-amyl alcohol 110.16
    acetylacetone 53.49
    n-hexadecane 1.79
    acetophenone 58.7
    methyl propionate 63.34
    isopentyl acetate 44.3
    trichloroethylene 328.86
    n-nonanol 19.11
    cyclohexanol 68.71
    benzyl alcohol 67.35
    2-ethylhexanol 30.45
    isooctanol 26.27
    dipropyl ether 30.91
    1,2-dichlorobenzene 80.43
    ethyl lactate 25.0
    propylene carbonate 87.29
    n-methylformamide 215.75
    2-pentanol 67.11
    n-pentane 8.6
    1-propoxy-2-propanol 57.84
    1-methoxy-2-propyl acetate 47.74
    2-(2-methoxypropoxy) propanol 60.84
    mesitylene 20.08
    ε-caprolactone 99.9
    p-cymene 17.33
    epichlorohydrin 208.51
    1,1,1-trichloroethane 136.39
    2-aminoethanol 117.63
    morpholine-4-carbaldehyde 188.53
    sulfolane 180.72
    2,2,4-trimethylpentane 6.21
    2-methyltetrahydrofuran 122.54
    n-hexyl acetate 41.18
    isooctane 3.78
    2-(2-butoxyethoxy)ethanol 83.1
    sec-butyl acetate 27.34
    tert-butyl acetate 41.27
    decalin 4.44
    glycerin 72.68
    diglyme 147.74
    acrylic acid 139.38
    isopropyl myristate 15.81
    n-butyric acid 151.89
    acetyl acetate 43.44
    di(2-ethylhexyl) phthalate 23.59
    ethyl propionate 33.82
    nitromethane 302.43
    1,2-diethoxyethane 78.01
    benzonitrile 101.87
    trioctyl phosphate 14.75
    1-bromopropane 87.89
    gamma-valerolactone 186.93
    n-decanol 13.5
    triethyl phosphate 23.27
    4-methyl-2-pentanol 37.01
    propionitrile 127.28
    vinylene carbonate 102.37
    1,1,2-trichlorotrifluoroethane 155.27
    DMS 40.36
    cumene 17.52
    2-octanol 19.56
    2-hexanone 51.85
    octyl acetate 20.29
    limonene 21.78
    1,2-dimethoxyethane 137.02
    ethyl orthosilicate 23.59
    tributyl phosphate 21.31
    diacetone alcohol 59.83
    N,N-dimethylaniline 42.72
    acrylonitrile 168.06
    aniline 111.81
    1,3-propanediol 140.51
    bromobenzene 72.5
    dibromomethane 224.48
    1,1,2,2-tetrachloroethane 209.53
    2-methyl-cyclohexyl acetate 33.55
    tetrabutyl urea 26.43
    diisobutyl methanol 19.23
    2-phenylethanol 53.95
    styrene 27.98
    dioctyl adipate 26.09
    dimethyl sulfate 49.98
    ethyl butyrate 39.56
    methyl lactate 34.96
    butyl lactate 34.22
    diethyl carbonate 28.26
    propanediol butyl ether 49.55
    triethyl orthoformate 31.69
    p-tert-butyltoluene 16.04
    methyl 4-tert-butylbenzoate 47.65
    morpholine 188.94
    tert-butylamine 79.35
    n-dodecanol 10.26
    dimethoxymethane 90.27
    ethylene carbonate 73.64
    cyrene 62.34
    2-ethoxyethyl acetate 65.79
    2-ethylhexyl acetate 35.56
    1,2,4-trichlorobenzene 95.85
    4-methylpyridine 182.5
    dibutyl ether 24.33
    2,6-dimethyl-4-heptanol 19.23
    DEF 99.34
    dimethyl isosorbide 91.96
    tetrachloroethylene 174.34
    eugenol 53.22
    triacetin 43.72
    span 80 43.7
    1,4-butanediol 62.17
    1,1-dichloroethane 163.63
    2-methyl-1-pentanol 84.12
    methyl formate 121.54
    2-methyl-1-butanol 102.12
    n-decane 2.63
    butyronitrile 119.6
    3,7-dimethyl-1-octanol 24.75
    1-chlorooctane 11.6
    1-chlorotetradecane 4.78
    n-nonane 2.42
    undecane 1.99
    tert-butylcyclohexane 5.25
    cyclooctane 2.41
    cyclopentanol 84.99
    tetrahydropyran 102.7
    tert-amyl methyl ether 58.2
    2,5,8-trioxanonane 103.22
    1-hexene 27.8
    2-isopropoxyethanol 73.64
    2,2,2-trifluoroethanol 124.38
    methyl butyrate 52.07

    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