2-Benzoylpyridine

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  • Identifiers

    CAS number
    91-02-1

    Molecular formula
    C12H9NO

    SMILES
    C1=CC=C(C=C1)C(=O)C2=CC=CC=N2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 43.26%
    Herbal 42.35%
    Balsamic 35.7%
    Bitter 35.08%
    Musty 33.94%
    Burnt 33.51%
    Almond 31.74%
    Honey 30.83%
    Aromatic 28.49%
    Sweet 28.45%

     

    Flavor
    Bitter 57.71%
    Balsam 28.1%
    Honey 26.74%
    Nutty 26.04%
    Odorless 24.64%
    Chocolate 23.57%
    Moth ball 23.52%
    Nitrile 23.33%
    Bread crust 23.32%
    Naphthelene 23.17%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    5.33 (weak acid)

    Molecular weight
    183.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    324°C

    Flash point

    • 142.4 ˚C est.

  • Synonyms

    • 2-Benzoylpyridine
    • 91-02-1
    • Methanone, phenyl-2-pyridinyl-
    • 2-Pyridyl phenyl ketone
    • IZ1TTI0X5O
    • NSC-20887
    • DTXSID7059016
    • BzPy
    • RefChem:465609
    • DTXCID1048708
    • 202-034-3
    • phenyl(pyridin-2-yl)methanone
    • Phenyl 2-pyridyl ketone
    • Pyridine, 2-benzoyl-
    • MFCD00006300
    • Methanone, phenylpyridinyl-
    • KETONE, PHENYL 2-PYRIDYL
    • Doxylamine EP Impurity D
    • phenyl(2-pyridyl)methanone
    • 2-benzoyl pyridine
    • Phenyl(2-pyridinyl)methanone
    • 27554-36-5
    • Phenyl(pyridin-2-yl)methanone (2-Benzoylpyridine)
    • 2-Benzoylpyridine;phenyl 2-pyridyl ketone
    • EINECS 202-034-3
    • NSC 20887
    • benzoylpyridine
    • BRN 0120283
    • AI3-52531
    • PHENYL-2-PYRIDINYLMETHANONE
    • 2-benzoyl-pyridine
    • 2-Benzoylpyridine; Doxylamine Hydrogen Succinate Imp. D (EP); Doxylamine Imp. D (EP); Phenyl(pyridin-2-yl)methanone; Doxylamine Hydrogen Succinate Impurity D; Doxylamine Impurity D
    • phenyl-2-pyridylketone
    • UNII-IZ1TTI0X5O
    • WLN: T6NJ BVR
    • 2-Benzoylpyridine, >=99%
    • 5-21-08-00566 (Beilstein Handbook Reference)
    • MLS000682815
    • Phenyl-pyridin-2-yl-methanone
    • SCHEMBL398165
    • SCHEMBL971951
    • orb2946023
    • SCHEMBL1897889
    • SCHEMBL1898971
    • SCHEMBL2419875
    • SCHEMBL3590148
    • Phenyl(2-pyridinyl)methanone #
    • CHEMBL1328115
    • SCHEMBL29373829
    • HMS1648H07
    • HMS2600E12
    • BB_SC-01350
    • NSC20887
    • EBC-14445
    • SBB032962
    • STK397395
    • AKOS000118815
    • CS-W022932
    • FB34681
    • MSK183718-100M
    • PS-3379
    • 2-BENZOYLPYRIDINE [USP IMPURITY]
    • Doxylamine Hydrogen Succinate Impurity D
    • NCGC00245935-01
    • AC-11818
    • SMR000312172
    • SY048296
    • B0304
    • EU-0066598
    • NS00039385
    • ST50406331
    • EN300-19493
    • E77028
    • 2-Benzoylpyridine Solution in Methanol, 100ug/mL
    • AC-907/25014299
    • F202520
    • SR-01000597210
    • SR-01000597210-1
    • Q63393150
    • F0850-6779
    • Z104474012
    • InChI=1/C12H9NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9
    • 91-02-1

  • Applications

    2-Benzoylpyridine (CAS 91-02-1) is primarily used as an organic synthesis intermediate and building block for pyridine-containing heterocycles. In pharmaceutical R&D, it serves as a precursor for the preparation of heterocyclic motifs and libraries with potential bioactivity. In agrochemical research, it is likewise employed as a starting material for benzo-fused pyridine derivatives targeting biologically active compounds. In general organic synthesis, it provides a versatile scaffold for the development of substituted pyridine benzo derivatives and related ketone-containing compounds. Additionally, it can function as a ligand precursor or a substrate in coordination chemistry for metal complex research. These applications are typically confined to research and development and may be subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 72.84
    methanol 71.39
    isopropanol 50.42
    water 1.58
    ethyl acetate 145.27
    n-propanol 66.8
    acetone 263.07
    n-butanol 65.8
    acetonitrile 205.42
    DMF 795.78
    toluene 81.13
    isobutanol 60.57
    1,4-dioxane 202.27
    methyl acetate 188.54
    THF 212.42
    2-butanone 238.12
    n-pentanol 54.48
    sec-butanol 52.33
    n-hexane 5.52
    ethylene glycol 38.32
    NMP 347.37
    cyclohexane 13.6
    DMSO 271.78
    n-butyl acetate 116.11
    n-octanol 59.01
    chloroform 509.93
    n-propyl acetate 121.58
    acetic acid 188.73
    dichloromethane 497.95
    cyclohexanone 354.29
    propylene glycol 32.06
    isopropyl acetate 81.31
    DMAc 545.25
    2-ethoxyethanol 95.17
    isopentanol 66.17
    n-heptane 7.45
    ethyl formate 199.89
    1,2-dichloroethane 487.13
    n-hexanol 65.78
    2-methoxyethanol 189.51
    isobutyl acetate 75.4
    tetrachloromethane 28.73
    n-pentyl acetate 86.82
    transcutol 604.03
    n-heptanol 53.42
    ethylbenzene 73.98
    MIBK 91.6
    2-propoxyethanol 108.03
    tert-butanol 61.16
    MTBE 56.53
    2-butoxyethanol 101.29
    propionic acid 136.46
    o-xylene 66.34
    formic acid 73.53
    diethyl ether 80.79
    m-xylene 55.74
    p-xylene 87.94
    chlorobenzene 237.03
    dimethyl carbonate 119.95
    n-octane 5.68
    formamide 227.73
    cyclopentanone 343.05
    2-pentanone 166.94
    anisole 147.09
    cyclopentyl methyl ether 91.45
    gamma-butyrolactone 389.03
    1-methoxy-2-propanol 125.52
    pyridine 497.76
    3-pentanone 139.62
    furfural 504.91
    n-dodecane 6.47
    diethylene glycol 92.92
    diisopropyl ether 22.82
    tert-amyl alcohol 56.27
    acetylacetone 176.64
    n-hexadecane 7.56
    acetophenone 178.34
    methyl propionate 154.84
    isopentyl acetate 98.93
    trichloroethylene 954.11
    n-nonanol 52.25
    cyclohexanol 76.33
    benzyl alcohol 126.38
    2-ethylhexanol 50.19
    isooctanol 46.54
    dipropyl ether 54.43
    1,2-dichlorobenzene 234.41
    ethyl lactate 73.31
    propylene carbonate 273.23
    n-methylformamide 335.91
    2-pentanol 42.95
    n-pentane 4.76
    1-propoxy-2-propanol 84.17
    1-methoxy-2-propyl acetate 100.89
    2-(2-methoxypropoxy) propanol 104.61
    mesitylene 38.38
    ε-caprolactone 261.78
    p-cymene 39.81
    epichlorohydrin 458.28
    1,1,1-trichloroethane 200.09
    2-aminoethanol 60.66
    morpholine-4-carbaldehyde 308.31
    sulfolane 347.42
    2,2,4-trimethylpentane 4.73
    2-methyltetrahydrofuran 128.89
    n-hexyl acetate 121.88
    isooctane 3.75
    2-(2-butoxyethoxy)ethanol 156.23
    sec-butyl acetate 73.47
    tert-butyl acetate 77.08
    decalin 11.82
    glycerin 62.24
    diglyme 349.86
    acrylic acid 177.73
    isopropyl myristate 48.61
    n-butyric acid 170.22
    acetyl acetate 106.54
    di(2-ethylhexyl) phthalate 47.27
    ethyl propionate 104.02
    nitromethane 485.11
    1,2-diethoxyethane 136.28
    benzonitrile 253.47
    trioctyl phosphate 34.25
    1-bromopropane 126.47
    gamma-valerolactone 403.79
    n-decanol 38.93
    triethyl phosphate 56.06
    4-methyl-2-pentanol 32.58
    propionitrile 191.02
    vinylene carbonate 330.23
    1,1,2-trichlorotrifluoroethane 296.82
    DMS 125.73
    cumene 47.09
    2-octanol 39.23
    2-hexanone 125.63
    octyl acetate 61.99
    limonene 47.1
    1,2-dimethoxyethane 261.1
    ethyl orthosilicate 48.99
    tributyl phosphate 44.58
    diacetone alcohol 100.37
    N,N-dimethylaniline 93.42
    acrylonitrile 353.57
    aniline 132.1
    1,3-propanediol 84.79
    bromobenzene 213.47
    dibromomethane 285.35
    1,1,2,2-tetrachloroethane 640.26
    2-methyl-cyclohexyl acetate 73.05
    tetrabutyl urea 68.06
    diisobutyl methanol 32.79
    2-phenylethanol 98.65
    styrene 100.4
    dioctyl adipate 75.32
    dimethyl sulfate 163.32
    ethyl butyrate 98.98
    methyl lactate 101.79
    butyl lactate 80.85
    diethyl carbonate 88.62
    propanediol butyl ether 94.41
    triethyl orthoformate 67.88
    p-tert-butyltoluene 33.92
    methyl 4-tert-butylbenzoate 108.39
    morpholine 217.83
    tert-butylamine 37.72
    n-dodecanol 30.59
    dimethoxymethane 231.92
    ethylene carbonate 236.25
    cyrene 96.79
    2-ethoxyethyl acetate 112.99
    2-ethylhexyl acetate 76.65
    1,2,4-trichlorobenzene 241.28
    4-methylpyridine 333.62
    dibutyl ether 74.68
    2,6-dimethyl-4-heptanol 32.79
    DEF 267.48
    dimethyl isosorbide 155.94
    tetrachloroethylene 373.45
    eugenol 119.9
    triacetin 118.11
    span 80 78.26
    1,4-butanediol 36.11
    1,1-dichloroethane 263.0
    2-methyl-1-pentanol 57.67
    methyl formate 270.9
    2-methyl-1-butanol 59.82
    n-decane 9.53
    butyronitrile 176.2
    3,7-dimethyl-1-octanol 49.11
    1-chlorooctane 49.02
    1-chlorotetradecane 20.14
    n-nonane 8.57
    undecane 7.65
    tert-butylcyclohexane 9.63
    cyclooctane 4.93
    cyclopentanol 79.92
    tetrahydropyran 171.17
    tert-amyl methyl ether 49.48
    2,5,8-trioxanonane 207.48
    1-hexene 32.63
    2-isopropoxyethanol 69.27
    2,2,2-trifluoroethanol 89.82
    methyl butyrate 175.04

    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
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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