1-(2-Methylpyridin-4-yl)ethan-1-one

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  • Identifiers

    CAS number
    2732-28-7

    Molecular formula
    C8H9NO

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 73.25%
    Roasted 60.58%
    Sweet 47.41%
    Musty 46.89%
    Herbal 44.34%
    Burnt 43.74%
    Popcorn 43.51%
    Tobacco 40.99%
    Hazelnut 40.98%
    Earthy 38.33%

     

    Flavor
    Sweet 69.22%
    Nutty 50.71%
    Woody 45.94%
    Almond 41.81%
    Hawthorn 40.43%
    Cocoa 39.18%
    Musty 38.43%
    Caramel 37.93%
    Tobacco 36.7%
    Popcorn 34.31%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    5.37 (weak acid)

    Molecular weight
    135.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    227°C

    Flash point

    • 93.88 ˚C est.

  • Synonyms

    • 2732-28-7
    • 1-(2-methyl-4-pyridinyl)ethanone
    • 1-(2-METHYLPYRIDIN-4-YL)ETHAN-1-ONE
    • DTXSID00609431
    • RefChem:422557
    • DTXCID90560188
    • 895-305-6
    • 4-Acetyl-2-methylpyridine
    • 1-(2-methylpyridin-4-yl)ethanone
    • MFCD07375079
    • 1-(2-METHYL-PYRIDIN-4-YL)-ETHANONE
    • 2-methyl-4-acetylpyridine
    • 1-(2-Methyl-4-pyridyl)ethanone
    • Ethanone, 1-(2-methyl-4-pyridinyl)-
    • 4-Acetyl-2-picoline
    • KY5ADZ3A9V
    • 4-acetyl-2-methyl-pyridine
    • SCHEMBL363432
    • SCHEMBL5253844
    • SCHEMBL29580893
    • CHEBI:179146
    • AKOS006285608
    • AB41122
    • CS-W008996
    • Methyl 2-methyl-4-pyridyl ketone, 8CI
    • 1-(2-Methyl-4-pyridinyl)ethanone, 9CI
    • DS-10950
    • SY107458
    • DB-067768
    • EN300-1853817
    • F076829
    • 2732-28-7

  • Applications

    For 1-(2-Methylpyridin-4-yl)ethan-1-one (CAS 2732-28-7), the compound is typically used as a flexible organic synthesis intermediate and building block, particularly in medicinal chemistry and related fine chemicals. It serves as a scaffold for assembling pyridine-containing heterocycles, enabling rapid access to drug-like derivatives and supporting library diversification in lead discovery. It is commonly used as a precursor for further functionalization to access diverse heteroaromatic targets. Additionally, it can function as a ligand precursor or coordination partner in homogeneous catalysis, and as a building block for materials science, including pyridine-containing polymers and other specialty compounds. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 341.21
    methanol 540.91
    isopropanol 229.82
    water 23.35
    ethyl acetate 202.6
    n-propanol 263.86
    acetone 239.06
    n-butanol 198.32
    acetonitrile 204.42
    DMF 719.92
    toluene 112.56
    isobutanol 180.05
    1,4-dioxane 408.29
    methyl acetate 250.65
    THF 323.89
    2-butanone 229.81
    n-pentanol 118.25
    sec-butanol 185.26
    n-hexane 13.31
    ethylene glycol 180.35
    NMP 397.48
    cyclohexane 9.34
    DMSO 509.45
    n-butyl acetate 69.12
    n-octanol 64.67
    chloroform 462.42
    n-propyl acetate 65.53
    acetic acid 146.28
    dichloromethane 457.15
    cyclohexanone 221.04
    propylene glycol 135.51
    isopropyl acetate 85.29
    DMAc 567.37
    2-ethoxyethanol 247.83
    isopentanol 131.52
    n-heptane 9.49
    ethyl formate 162.28
    1,2-dichloroethane 241.4
    n-hexanol 112.18
    2-methoxyethanol 531.75
    isobutyl acetate 44.89
    tetrachloromethane 83.2
    n-pentyl acetate 61.48
    transcutol 298.8
    n-heptanol 60.55
    ethylbenzene 52.27
    MIBK 85.92
    2-propoxyethanol 236.67
    tert-butanol 193.83
    MTBE 128.38
    2-butoxyethanol 121.74
    propionic acid 174.95
    o-xylene 78.57
    formic acid 150.45
    diethyl ether 166.28
    m-xylene 73.75
    p-xylene 70.73
    chlorobenzene 127.52
    dimethyl carbonate 99.24
    n-octane 6.2
    formamide 181.92
    cyclopentanone 263.92
    2-pentanone 161.7
    anisole 135.55
    cyclopentyl methyl ether 160.85
    gamma-butyrolactone 303.43
    1-methoxy-2-propanol 316.23
    pyridine 233.16
    3-pentanone 141.16
    furfural 329.48
    n-dodecane 6.48
    diethylene glycol 245.87
    diisopropyl ether 34.97
    tert-amyl alcohol 154.44
    acetylacetone 172.02
    n-hexadecane 7.19
    acetophenone 113.36
    methyl propionate 202.32
    isopentyl acetate 64.93
    trichloroethylene 379.42
    n-nonanol 54.43
    cyclohexanol 123.08
    benzyl alcohol 118.35
    2-ethylhexanol 58.74
    isooctanol 47.22
    dipropyl ether 55.55
    1,2-dichlorobenzene 119.39
    ethyl lactate 65.32
    propylene carbonate 149.85
    n-methylformamide 360.52
    2-pentanol 108.37
    n-pentane 11.82
    1-propoxy-2-propanol 123.64
    1-methoxy-2-propyl acetate 101.09
    2-(2-methoxypropoxy) propanol 100.04
    mesitylene 40.91
    ε-caprolactone 196.58
    p-cymene 33.93
    epichlorohydrin 362.12
    1,1,1-trichloroethane 203.61
    2-aminoethanol 247.63
    morpholine-4-carbaldehyde 456.41
    sulfolane 305.86
    2,2,4-trimethylpentane 8.96
    2-methyltetrahydrofuran 234.4
    n-hexyl acetate 91.27
    isooctane 6.51
    2-(2-butoxyethoxy)ethanol 130.12
    sec-butyl acetate 49.37
    tert-butyl acetate 79.65
    decalin 13.0
    glycerin 209.01
    diglyme 233.36
    acrylic acid 148.05
    isopropyl myristate 35.46
    n-butyric acid 173.12
    acetyl acetate 97.0
    di(2-ethylhexyl) phthalate 43.65
    ethyl propionate 81.57
    nitromethane 326.62
    1,2-diethoxyethane 96.96
    benzonitrile 133.18
    trioctyl phosphate 31.38
    1-bromopropane 156.58
    gamma-valerolactone 386.64
    n-decanol 41.45
    triethyl phosphate 43.95
    4-methyl-2-pentanol 53.34
    propionitrile 176.88
    vinylene carbonate 160.51
    1,1,2-trichlorotrifluoroethane 245.8
    DMS 95.74
    cumene 41.71
    2-octanol 44.5
    2-hexanone 83.47
    octyl acetate 48.87
    limonene 42.91
    1,2-dimethoxyethane 292.13
    ethyl orthosilicate 42.64
    tributyl phosphate 36.03
    diacetone alcohol 122.45
    N,N-dimethylaniline 101.96
    acrylonitrile 236.85
    aniline 152.79
    1,3-propanediol 263.99
    bromobenzene 126.11
    dibromomethane 278.71
    1,1,2,2-tetrachloroethane 302.01
    2-methyl-cyclohexyl acetate 53.54
    tetrabutyl urea 51.66
    diisobutyl methanol 34.5
    2-phenylethanol 95.99
    styrene 63.3
    dioctyl adipate 48.39
    dimethyl sulfate 187.38
    ethyl butyrate 56.86
    methyl lactate 133.31
    butyl lactate 57.35
    diethyl carbonate 46.87
    propanediol butyl ether 105.06
    triethyl orthoformate 47.11
    p-tert-butyltoluene 34.09
    methyl 4-tert-butylbenzoate 90.82
    morpholine 403.32
    tert-butylamine 105.45
    n-dodecanol 31.99
    dimethoxymethane 325.12
    ethylene carbonate 130.37
    cyrene 106.19
    2-ethoxyethyl acetate 93.33
    2-ethylhexyl acetate 52.15
    1,2,4-trichlorobenzene 144.45
    4-methylpyridine 267.08
    dibutyl ether 55.9
    2,6-dimethyl-4-heptanol 34.5
    DEF 244.67
    dimethyl isosorbide 142.17
    tetrachloroethylene 208.1
    eugenol 101.74
    triacetin 81.75
    span 80 73.17
    1,4-butanediol 115.82
    1,1-dichloroethane 256.19
    2-methyl-1-pentanol 95.25
    methyl formate 254.56
    2-methyl-1-butanol 149.04
    n-decane 10.02
    butyronitrile 163.89
    3,7-dimethyl-1-octanol 55.66
    1-chlorooctane 41.85
    1-chlorotetradecane 18.09
    n-nonane 9.75
    undecane 7.89
    tert-butylcyclohexane 14.11
    cyclooctane 4.66
    cyclopentanol 154.27
    tetrahydropyran 214.14
    tert-amyl methyl ether 105.8
    2,5,8-trioxanonane 156.54
    1-hexene 48.85
    2-isopropoxyethanol 135.58
    2,2,2-trifluoroethanol 102.67
    methyl butyrate 103.35

    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