2-Acetylpyridine

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1122-62-9

    Molecular formula
    C7H7NO

    SMILES
    CC(=O)C1=CC=CC=N1

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1032.0
    • Carbowax: 1592.5

  • Odor profile

    Nutty 81.1%
    Roasted 59.86%
    Popcorn 57.65%
    Musty 46.43%
    Burnt 44.75%
    Hazelnut 43.24%
    Caramellic 41.33%
    Tobacco 38.81%
    Almond 38.35%
    Coffee 37.7%

    Scent© AI

  • Properties

    XLogP3-AA
    0.9

    Molecular weight
    121.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 189.00 to 193.00 °C. @ 760.00 mm Hg

    Flash point est.
    80.44 ˚C

    Solubility expt.

    • Soluble in ether and acids
    • Soluble (in ethanol)

  • Synonyms

    • 2-ACETYLPYRIDINE
    • 1122-62-9
    • 1-(pyridin-2-yl)ethanone
    • 1-pyridin-2-ylethanone
    • Methyl 2-pyridyl ketone
    • Acetylpyridine
    • Ketone, methyl 2-pyridyl
    • 2-Acetopyridine
    • 2-Pyridyl methyl ketone
    • 1-(Pyridin-2-Yl)Ethan-1-One
    • 1-Pyridin-2-yl-ethanone
    • Ethanone, 1-(2-pyridinyl)-
    • Acetyl pyridine
    • 1-(2-Pyridinyl)ethanone
    • MFCD00006303
    • FEMA No. 3251
    • FEMA 3251
    • 2-Acetylpyridine (natural)
    • CCRIS 7784
    • 2-acetyipyridine
    • EINECS 214-355-6
    • NSC 15043
    • UNII-629O10UI3L
    • DTXSID7024409
    • AI3-52210
    • 629O10UI3L
    • NSC-15043
    • 1-(2-Pyridyl)-1-ethanone
    • CHEMBL11945
    • DTXCID804409
    • 2-ACETYLPYRIDINE [FHFI]
    • 1-(2-Pyridinyl)ethanone, 9CI
    • 1-(2-PYRIDINYL)-ETHANONE
    • 2-ACETYLPYRIDINE [USP-RS]
    • 2-acetyl pyridine
    • 30440-88-1
    • Ethanone, 1-(pyridinyl)-
    • 2-ACETYLPYRIDINE (USP-RS)
    • CAS-1122-62-9
    • 1-(2-PYRIDYL)ETHANONE
    • UNII-AQQ7807JD8
    • PYRIDINE, 2-ACETYL-
    • 2Acetopyridine
    • 2-acetyl-pyridine
    • 1(2Pyridinyl)ethanone
    • 2Pyridyl methyl ketone
    • Methyl 2pyridyl ketone
    • Ketone, methyl 2pyridyl
    • 2Acetylpyridine (natural)
    • Ethanone, 1(2pyridinyl)
    • 1-(pyridine-2-yl)ethanone
    • SCHEMBL55127
    • 1-(2-Pyridinyl)ethanone #
    • 2-Acetylpyridine, >=99%
    • MLS002152864
    • AQQ7807JD8
    • 2-Acetylpyridine, >=99%, FG
    • CHEBI:193619
    • HMS2268O15
    • NSC15043
    • Tox21_201499
    • Tox21_303104
    • BDBM50026891
    • STL145899
    • AKOS000119795
    • AB00686
    • CS-W008602
    • FA31140
    • NCGC00091706-01
    • NCGC00091706-02
    • NCGC00256952-01
    • NCGC00259050-01
    • AS-14447
    • SMR000112288
    • DB-015932
    • A0111
    • NS00018664
    • EN300-19607
    • P19605
    • doi:10.14272/AJKVQEKCUACUMD-UHFFFAOYSA-N.1
    • Q4596853
    • F0001-0271
    • Z104474432
    • 2-Acetylpyridine, United States Pharmacopeia (USP) Reference Standard

  • Applications

    2-Acetylpyridine (CAS 1122-62-9) is an aromatic heterocycle carrying a keto group at the 2-position, valued for both its chemistry and its roasted-corn, popcorn-like odor: at trace levels it is added to food flavors, tobacco, beverages and chocolate to recreate cereal, coffee and nut notes; in pharmaceuticals it serves as an intermediate toward antifungal, neuroprotective and anticancer agents via thiosemicarbazone or hydrazone derivatives, and as a building block for agrochemicals, textile dyes and ink-adhesion promoters; in coordination chemistry the molecule chelates Cu, Ni or Zn to give catalysts for redox, transfer-hydrogenation and polymerization reactions; analytically, its metal complexes yield intense colors for spectrophotometric determination; researchers exploit it as a model for keto-enol tautomerism, a precursor to heteroaromatic chalcones, and an N,O-donor ligand for MOF construction; the compound is moderately volatile with a strong odor, so it must be handled in fume hoods and stored tightly sealed, and food or pharma use requires compliance with GMP and FDA regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 336.79
    methanol 610.82
    isopropanol 231.83
    water 28.39
    ethyl acetate 339.77
    n-propanol 259.14
    acetone 483.9
    n-butanol 205.52
    acetonitrile 473.66
    DMF 922.8
    toluene 187.93
    isobutanol 202.66
    1,4-dioxane 870.22
    methyl acetate 343.33
    THF 526.09
    2-butanone 347.6
    n-pentanol 189.34
    sec-butanol 198.14
    n-hexane 35.39
    ethylene glycol 188.2
    NMP 902.83
    cyclohexane 27.97
    DMSO 935.94
    n-butyl acetate 148.23
    n-octanol 104.04
    chloroform 765.52
    n-propyl acetate 184.82
    acetic acid 431.65
    dichloromethane 913.33
    cyclohexanone 450.26
    propylene glycol 123.29
    isopropyl acetate 162.15
    DMAc 714.02
    2-ethoxyethanol 364.52
    isopentanol 173.54
    n-heptane 22.74
    ethyl formate 260.59
    1,2-dichloroethane 533.74
    n-hexanol 144.84
    2-methoxyethanol 532.74
    isobutyl acetate 117.33
    tetrachloromethane 144.9
    n-pentyl acetate 121.16
    transcutol 781.64
    n-heptanol 82.51
    ethylbenzene 95.54
    MIBK 162.29
    2-propoxyethanol 296.85
    tert-butanol 243.5
    MTBE 211.27
    2-butoxyethanol 174.96
    propionic acid 297.91
    o-xylene 130.85
    formic acid 275.68
    diethyl ether 261.71
    m-xylene 127.75
    p-xylene 133.2
    chlorobenzene 265.73
    dimethyl carbonate 153.06
    n-octane 12.6
    formamide 335.57
    cyclopentanone 571.55
    2-pentanone 269.75
    anisole 229.13
    cyclopentyl methyl ether 273.6
    gamma-butyrolactone 671.26
    1-methoxy-2-propanol 328.27
    pyridine 430.73
    3-pentanone 237.19
    furfural 615.23
    n-dodecane 12.75
    diethylene glycol 315.28
    diisopropyl ether 73.9
    tert-amyl alcohol 207.56
    acetylacetone 336.73
    n-hexadecane 14.2
    acetophenone 219.89
    methyl propionate 275.16
    isopentyl acetate 131.38
    trichloroethylene 872.79
    n-nonanol 85.31
    cyclohexanol 181.18
    benzyl alcohol 181.23
    2-ethylhexanol 90.94
    isooctanol 74.02
    dipropyl ether 110.5
    1,2-dichlorobenzene 240.98
    ethyl lactate 117.9
    propylene carbonate 308.58
    n-methylformamide 478.37
    2-pentanol 136.0
    n-pentane 28.7
    1-propoxy-2-propanol 176.91
    1-methoxy-2-propyl acetate 165.57
    2-(2-methoxypropoxy) propanol 162.31
    mesitylene 81.11
    ε-caprolactone 393.51
    p-cymene 59.57
    epichlorohydrin 664.57
    1,1,1-trichloroethane 390.17
    2-aminoethanol 236.25
    morpholine-4-carbaldehyde 770.9
    sulfolane 809.77
    2,2,4-trimethylpentane 22.43
    2-methyltetrahydrofuran 414.44
    n-hexyl acetate 182.78
    isooctane 16.53
    2-(2-butoxyethoxy)ethanol 237.72
    sec-butyl acetate 120.19
    tert-butyl acetate 154.97
    decalin 28.49
    glycerin 224.7
    diglyme 447.51
    acrylic acid 288.02
    isopropyl myristate 69.54
    n-butyric acid 288.93
    acetyl acetate 197.29
    di(2-ethylhexyl) phthalate 70.85
    ethyl propionate 171.87
    nitromethane 807.23
    1,2-diethoxyethane 218.65
    benzonitrile 282.99
    trioctyl phosphate 56.41
    1-bromopropane 263.35
    gamma-valerolactone 688.57
    n-decanol 65.75
    triethyl phosphate 79.81
    4-methyl-2-pentanol 82.28
    propionitrile 304.83
    vinylene carbonate 314.21
    1,1,2-trichlorotrifluoroethane 405.22
    DMS 186.44
    cumene 76.4
    2-octanol 66.75
    2-hexanone 194.52
    octyl acetate 91.76
    limonene 76.48
    1,2-dimethoxyethane 511.7
    ethyl orthosilicate 75.16
    tributyl phosphate 70.93
    diacetone alcohol 194.51
    N,N-dimethylaniline 167.01
    acrylonitrile 419.18
    aniline 237.18
    1,3-propanediol 268.82
    bromobenzene 274.03
    dibromomethane 545.35
    1,1,2,2-tetrachloroethane 597.8
    2-methyl-cyclohexyl acetate 106.1
    tetrabutyl urea 99.93
    diisobutyl methanol 58.74
    2-phenylethanol 148.17
    styrene 126.6
    dioctyl adipate 96.52
    dimethyl sulfate 304.45
    ethyl butyrate 128.31
    methyl lactate 170.84
    butyl lactate 104.38
    diethyl carbonate 98.58
    propanediol butyl ether 179.23
    triethyl orthoformate 95.03
    p-tert-butyltoluene 55.6
    methyl 4-tert-butylbenzoate 151.54
    morpholine 657.31
    tert-butylamine 152.22
    n-dodecanol 52.4
    dimethoxymethane 411.59
    ethylene carbonate 254.7
    cyrene 186.31
    2-ethoxyethyl acetate 176.28
    2-ethylhexyl acetate 103.7
    1,2,4-trichlorobenzene 280.33
    4-methylpyridine 460.66
    dibutyl ether 115.7
    2,6-dimethyl-4-heptanol 58.74
    DEF 427.46
    dimethyl isosorbide 250.53
    tetrachloroethylene 418.54
    eugenol 165.15
    triacetin 174.31
    span 80 127.75
    1,4-butanediol 159.69
    1,1-dichloroethane 460.09
    2-methyl-1-pentanol 165.72
    methyl formate 383.32
    2-methyl-1-butanol 183.78
    n-decane 18.8
    butyronitrile 289.14
    3,7-dimethyl-1-octanol 91.97
    1-chlorooctane 75.55
    1-chlorotetradecane 33.01
    n-nonane 18.67
    undecane 15.13
    tert-butylcyclohexane 29.28
    cyclooctane 13.14
    cyclopentanol 225.74
    tetrahydropyran 390.36
    tert-amyl methyl ether 171.01
    2,5,8-trioxanonane 286.98
    1-hexene 104.75
    2-isopropoxyethanol 228.87
    2,2,2-trifluoroethanol 203.2
    methyl butyrate 237.42

    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
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%