4-Acetylpyridine

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  • Identifiers

    CAS number
    1122-54-9

    Molecular formula
    C7H7NO

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 78.57%
    Sweet 70.94%
    Coumarinic 50.5%
    Roasted 49.71%
    Tobacco 48.72%
    Almond 48.04%
    Musty 46.91%
    Burnt 46.72%
    Woody 45.51%
    Hay 45.33%

     

    Flavor
    Sweet 72.79%
    Nutty 53.97%
    Almond 52.2%
    Hawthorn 49.0%
    Caramel 42.78%
    Woody 42.17%
    Tobacco 41.09%
    Popcorn 36.63%
    Musty 35.23%
    Bitter 34.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    4.88 (weak acid)

    Molecular weight
    121.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 414 °F at 760 mmHg (NTP, 1992)

    Flash point

    • 95.55 ˚C est.
    • greater than 200 °F (NTP, 1992)

    Solubility expt.

    • greater than or equal to 100 mg/mL at 66 °F (NTP, 1992)

  • Synonyms

    • 4-Acetylpyridine
    • 1122-54-9
    • 1-pyridin-4-ylethanone
    • Ethanone, 1-(4-pyridinyl)-
    • Methyl 4-pyridyl ketone
    • Ketone, methyl 4-pyridyl
    • Pyridine, 4-acetyl-
    • 4-Pyridyl methyl ketone
    • 4-Acetyl pyridine
    • 1-(pyridin-4-yl)ethan-1-one
    • MFCD00006433
    • 1-(pyridin-4-yl)ethanone
    • CCRIS 5954
    • NSC 111
    • EINECS 214-350-9
    • BRN 0107629
    • AI3-26822
    • 1-(4-PYRIDINYL)ETHANONE
    • NSC-111
    • G47437IOW7
    • PYRIDINE,4-ACETYL
    • 1-Pyridin-4-yl-ethanone
    • ACETYL PYRIDINE, 4-
    • DTXSID0022147
    • 5-21-07-00400 (Beilstein Handbook Reference)
    • 1-(4-pyridyl)ethanone
    • UNII-G47437IOW7
    • 4-Acetyl-pyridine
    • gamma-Acetylpyridine
    • .gamma.-Acetylpyridine
    • 4-Acetylpyridine, 97%
    • WLN: T6NJ DV1
    • 1-(pyridin-4-yl)-ethanone
    • SCHEMBL55235
    • 1-(4-Pyridinyl)ethanone #
    • METHYL 4-PYRIDYLKETONE
    • CHEMBL445953
    • DTXCID402147
    • NSC111
    • HY-Y0179
    • STL185607
    • AKOS000119796
    • AB00760
    • AC-8358
    • CS-W008727
    • FG-0441
    • SY005519
    • DB-012784
    • A0113
    • NS00021527
    • EN300-17993
    • 4-Acetylpyridine, Vetec(TM) reagent grade, 97%
    • Q27278737
    • F0001-0269
    • 214-350-9

  • Applications

    4-Acetylpyridine (CAS 1122-54-9) is typically used as an organic synthesis intermediate across multiple industries: as a building block for heterocyclic pyridine-containing compounds in pharmaceutical and agrochemical development; as a precursor for dyes and pigments used in coatings, inks, and textiles; as a fragrance intermediate in perfumery; as a ligand/precursor for metal complexes and catalytic systems; and as a pyridine-containing building block in polymer and materials chemistry, including potential applications in electronics and optoelectronics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 158.92
    methanol 256.13
    isopropanol 105.93
    water 22.06
    ethyl acetate 122.05
    n-propanol 133.88
    acetone 66.92
    n-butanol 94.23
    acetonitrile 176.09
    DMF 466.92
    toluene 100.16
    isobutanol 84.36
    1,4-dioxane 259.88
    methyl acetate 134.42
    THF 146.66
    2-butanone 110.1
    n-pentanol 70.84
    sec-butanol 87.37
    n-hexane 5.7
    ethylene glycol 69.56
    NMP 325.24
    cyclohexane 6.7
    DMSO 281.55
    n-butyl acetate 43.8
    n-octanol 21.08
    chloroform 329.4
    n-propyl acetate 41.05
    acetic acid 146.41
    dichloromethane 332.27
    cyclohexanone 131.79
    propylene glycol 44.29
    isopropyl acetate 44.27
    DMAc 442.43
    2-ethoxyethanol 134.65
    isopentanol 67.23
    n-heptane 5.21
    ethyl formate 89.76
    1,2-dichloroethane 180.08
    n-hexanol 47.92
    2-methoxyethanol 222.97
    isobutyl acetate 25.52
    tetrachloromethane 53.7
    n-pentyl acetate 32.15
    transcutol 325.83
    n-heptanol 23.55
    ethylbenzene 29.32
    MIBK 39.04
    2-propoxyethanol 97.48
    tert-butanol 102.98
    MTBE 66.76
    2-butoxyethanol 56.85
    propionic acid 128.06
    o-xylene 64.0
    formic acid 167.46
    diethyl ether 100.11
    m-xylene 50.96
    p-xylene 41.53
    chlorobenzene 108.18
    dimethyl carbonate 54.33
    n-octane 2.08
    formamide 231.22
    cyclopentanone 134.93
    2-pentanone 66.41
    anisole 84.5
    cyclopentyl methyl ether 90.86
    gamma-butyrolactone 211.0
    1-methoxy-2-propanol 125.82
    pyridine 250.14
    3-pentanone 77.52
    furfural 259.81
    n-dodecane 2.0
    diethylene glycol 110.66
    diisopropyl ether 17.42
    tert-amyl alcohol 85.24
    acetylacetone 71.07
    n-hexadecane 2.26
    acetophenone 75.71
    methyl propionate 121.91
    isopentyl acetate 36.67
    trichloroethylene 309.76
    n-nonanol 19.75
    cyclohexanol 73.41
    benzyl alcohol 76.44
    2-ethylhexanol 27.25
    isooctanol 19.56
    dipropyl ether 29.59
    1,2-dichlorobenzene 92.93
    ethyl lactate 31.06
    propylene carbonate 93.44
    n-methylformamide 260.99
    2-pentanol 51.77
    n-pentane 6.75
    1-propoxy-2-propanol 56.66
    1-methoxy-2-propyl acetate 54.79
    2-(2-methoxypropoxy) propanol 68.14
    mesitylene 24.14
    ε-caprolactone 129.0
    p-cymene 17.56
    epichlorohydrin 214.22
    1,1,1-trichloroethane 133.77
    2-aminoethanol 114.38
    morpholine-4-carbaldehyde 334.09
    sulfolane 196.32
    2,2,4-trimethylpentane 4.72
    2-methyltetrahydrofuran 131.52
    n-hexyl acetate 41.2
    isooctane 2.79
    2-(2-butoxyethoxy)ethanol 87.53
    sec-butyl acetate 29.19
    tert-butyl acetate 40.57
    decalin 6.06
    glycerin 84.57
    diglyme 168.27
    acrylic acid 119.44
    isopropyl myristate 17.57
    n-butyric acid 117.58
    acetyl acetate 60.08
    di(2-ethylhexyl) phthalate 23.94
    ethyl propionate 45.97
    nitromethane 288.29
    1,2-diethoxyethane 80.8
    benzonitrile 106.72
    trioctyl phosphate 15.31
    1-bromopropane 94.41
    gamma-valerolactone 244.8
    n-decanol 14.93
    triethyl phosphate 27.58
    4-methyl-2-pentanol 26.69
    propionitrile 148.03
    vinylene carbonate 113.82
    1,1,2-trichlorotrifluoroethane 162.53
    DMS 59.22
    cumene 20.12
    2-octanol 15.31
    2-hexanone 43.99
    octyl acetate 22.58
    limonene 22.9
    1,2-dimethoxyethane 170.48
    ethyl orthosilicate 26.15
    tributyl phosphate 20.59
    diacetone alcohol 60.6
    N,N-dimethylaniline 59.89
    acrylonitrile 192.53
    aniline 143.37
    1,3-propanediol 117.56
    bromobenzene 101.85
    dibromomethane 184.74
    1,1,2,2-tetrachloroethane 223.92
    2-methyl-cyclohexyl acetate 32.24
    tetrabutyl urea 29.8
    diisobutyl methanol 17.37
    2-phenylethanol 52.15
    styrene 41.76
    dioctyl adipate 28.43
    dimethyl sulfate 105.98
    ethyl butyrate 36.63
    methyl lactate 59.76
    butyl lactate 29.48
    diethyl carbonate 30.31
    propanediol butyl ether 44.98
    triethyl orthoformate 32.0
    p-tert-butyltoluene 17.16
    methyl 4-tert-butylbenzoate 49.94
    morpholine 292.53
    tert-butylamine 61.24
    n-dodecanol 11.89
    dimethoxymethane 151.66
    ethylene carbonate 89.86
    cyrene 69.59
    2-ethoxyethyl acetate 60.33
    2-ethylhexyl acetate 31.95
    1,2,4-trichlorobenzene 118.98
    4-methylpyridine 233.48
    dibutyl ether 26.65
    2,6-dimethyl-4-heptanol 17.37
    DEF 162.08
    dimethyl isosorbide 101.72
    tetrachloroethylene 169.47
    eugenol 57.77
    triacetin 53.57
    span 80 45.12
    1,4-butanediol 54.65
    1,1-dichloroethane 165.64
    2-methyl-1-pentanol 62.0
    methyl formate 135.58
    2-methyl-1-butanol 75.03
    n-decane 3.09
    butyronitrile 108.73
    3,7-dimethyl-1-octanol 23.51
    1-chlorooctane 14.01
    1-chlorotetradecane 6.29
    n-nonane 2.75
    undecane 2.41
    tert-butylcyclohexane 6.01
    cyclooctane 2.66
    cyclopentanol 81.16
    tetrahydropyran 144.71
    tert-amyl methyl ether 56.17
    2,5,8-trioxanonane 123.87
    1-hexene 23.93
    2-isopropoxyethanol 75.55
    2,2,2-trifluoroethanol 85.76
    methyl butyrate 57.84

    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