4-Benzoylpyridine

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  • Identifiers

    CAS number
    14548-46-0

    Molecular formula
    C12H9NO

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 46.87%
    Balsamic 44.18%
    Nutty 42.27%
    Bitter 35.75%
    Sweet 34.26%
    Musty 32.71%
    Burnt 32.46%
    Almond 32.19%
    Phenolic 31.99%
    Floral 31.86%

     

    Flavor
    Bitter 56.46%
    Balsam 45.95%
    Honey 32.24%
    Apricot 27.86%
    Rose 26.33%
    Faint 25.66%
    Powdery 25.04%
    Peach 24.88%
    Urine 24.59%
    Nutty 24.18%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    4.77 (weak acid)

    Molecular weight
    183.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    332°C

    Flash point

    • 149.73 ˚C est.

  • Synonyms

    • 4-Benzoylpyridine
    • 14548-46-0
    • Phenyl 4-pyridyl ketone
    • Methanone, phenyl-4-pyridinyl-
    • Ketone, phenyl 4-pyridyl
    • Phenyl(4-pyridinyl)methanone
    • 4-Pyridyl phenyl ketone
    • gamma-Benzoylpyridine
    • Ba 33215
    • 524YQ3O21T
    • NSC-9488
    • DTXSID6022262
    • RefChem:97966
    • DTXCID202262
    • 238-586-7
    • phenyl(pyridin-4-yl)methanone
    • Pyridine, 4-benzoyl-
    • 4-benzoyl pyridine
    • .gamma.-Benzoylpyridine
    • NSC 9488
    • MFCD00006430
    • EINECS 238-586-7
    • phenyl(4-pyridyl)methanone
    • BRN 0003864
    • UNII-524YQ3O21T
    • phenyl 4-pyridinyl ketone
    • ChemDiv2_000073
    • WLN: T6NJ DVR
    • 5-21-08-00576 (Beilstein Handbook Reference)
    • MLS000084817
    • SCHEMBL229650
    • orb3031396
    • SCHEMBL2888112
    • SCHEMBL8786624
    • CHEMBL1446524
    • SCHEMBL27395626
    • [(Pyridin-4-yl)carbonyl]benzene
    • NSC9488
    • CHEBI:194620
    • HMS1369D07
    • HMS2372M15
    • BB_SC-05421
    • SBB032964
    • STK014114
    • AKOS000119486
    • CCG-103883
    • FB00812
    • SMR000019163
    • SY048792
    • DB-042783
    • B0306
    • CS-0109098
    • NS00053854
    • ST50406222
    • EN300-17901
    • H11247
    • AC-907/25014301
    • SR-01000399379
    • SR-01000399379-1
    • Q27260957
    • Z57069936
    • InChI=1/C12H9NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9
    • 14548-46-0

  • Applications

    4-Benzoylpyridine is commonly used as an organic synthesis building block and intermediate, enabling access to pyridine-based heterocycles and drug-like intermediates; it serves as a precursor for ligand development and catalytic reagents in homogeneous catalysis and cross-coupling workflows; it is employed in pharmaceutical development to furnish intermediates and scaffolds for drug candidates; it is also used as a versatile building block in agrochemical research to access pyridine-containing actives and derivatives; and in materials science it provides a precursor for pyridine-containing monomers and coordination compounds for MOFs or related polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 86.97
    methanol 85.32
    isopropanol 58.36
    water 2.26
    ethyl acetate 207.25
    n-propanol 76.83
    acetone 267.24
    n-butanol 71.24
    acetonitrile 279.7
    DMF 676.38
    toluene 165.53
    isobutanol 69.52
    1,4-dioxane 229.63
    methyl acetate 229.43
    THF 221.92
    2-butanone 264.59
    n-pentanol 65.18
    sec-butanol 59.38
    n-hexane 3.93
    ethylene glycol 44.16
    NMP 327.34
    cyclohexane 8.29
    DMSO 380.91
    n-butyl acetate 151.93
    n-octanol 51.47
    chloroform 622.2
    n-propyl acetate 175.48
    acetic acid 222.05
    dichloromethane 776.85
    cyclohexanone 361.31
    propylene glycol 32.13
    isopropyl acetate 110.27
    DMAc 521.73
    2-ethoxyethanol 131.7
    isopentanol 74.19
    n-heptane 6.86
    ethyl formate 218.51
    1,2-dichloroethane 595.41
    n-hexanol 64.66
    2-methoxyethanol 191.56
    isobutyl acetate 96.14
    tetrachloromethane 41.33
    n-pentyl acetate 97.68
    transcutol 774.86
    n-heptanol 49.8
    ethylbenzene 99.48
    MIBK 113.43
    2-propoxyethanol 116.64
    tert-butanol 75.47
    MTBE 67.59
    2-butoxyethanol 106.08
    propionic acid 154.36
    o-xylene 102.55
    formic acid 98.52
    diethyl ether 99.8
    m-xylene 92.67
    p-xylene 111.92
    chlorobenzene 275.99
    dimethyl carbonate 133.93
    n-octane 4.19
    formamide 327.93
    cyclopentanone 362.15
    2-pentanone 189.3
    anisole 198.57
    cyclopentyl methyl ether 109.29
    gamma-butyrolactone 440.72
    1-methoxy-2-propanol 125.3
    pyridine 600.12
    3-pentanone 152.55
    furfural 539.1
    n-dodecane 4.83
    diethylene glycol 103.34
    diisopropyl ether 30.42
    tert-amyl alcohol 69.76
    acetylacetone 205.37
    n-hexadecane 5.6
    acetophenone 218.29
    methyl propionate 180.23
    isopentyl acetate 125.1
    trichloroethylene 1161.22
    n-nonanol 46.39
    cyclohexanol 77.24
    benzyl alcohol 153.55
    2-ethylhexanol 53.74
    isooctanol 44.4
    dipropyl ether 68.07
    1,2-dichlorobenzene 239.5
    ethyl lactate 81.37
    propylene carbonate 288.33
    n-methylformamide 349.84
    2-pentanol 48.37
    n-pentane 3.37
    1-propoxy-2-propanol 90.02
    1-methoxy-2-propyl acetate 122.63
    2-(2-methoxypropoxy) propanol 107.93
    mesitylene 52.32
    ε-caprolactone 282.23
    p-cymene 46.75
    epichlorohydrin 550.42
    1,1,1-trichloroethane 252.24
    2-aminoethanol 67.44
    morpholine-4-carbaldehyde 337.73
    sulfolane 409.09
    2,2,4-trimethylpentane 4.89
    2-methyltetrahydrofuran 160.32
    n-hexyl acetate 127.38
    isooctane 3.83
    2-(2-butoxyethoxy)ethanol 158.95
    sec-butyl acetate 102.14
    tert-butyl acetate 97.81
    decalin 10.92
    glycerin 69.75
    diglyme 386.54
    acrylic acid 180.78
    isopropyl myristate 47.84
    n-butyric acid 182.64
    acetyl acetate 137.02
    di(2-ethylhexyl) phthalate 47.11
    ethyl propionate 143.98
    nitromethane 560.25
    1,2-diethoxyethane 169.51
    benzonitrile 298.46
    trioctyl phosphate 31.99
    1-bromopropane 155.25
    gamma-valerolactone 412.5
    n-decanol 35.12
    triethyl phosphate 63.59
    4-methyl-2-pentanol 37.22
    propionitrile 250.71
    vinylene carbonate 334.07
    1,1,2-trichlorotrifluoroethane 337.34
    DMS 147.41
    cumene 57.63
    2-octanol 34.58
    2-hexanone 156.94
    octyl acetate 61.29
    limonene 53.75
    1,2-dimethoxyethane 297.59
    ethyl orthosilicate 56.3
    tributyl phosphate 43.66
    diacetone alcohol 122.4
    N,N-dimethylaniline 119.16
    acrylonitrile 422.09
    aniline 197.63
    1,3-propanediol 91.78
    bromobenzene 269.46
    dibromomethane 406.36
    1,1,2,2-tetrachloroethane 683.95
    2-methyl-cyclohexyl acetate 84.21
    tetrabutyl urea 66.17
    diisobutyl methanol 34.58
    2-phenylethanol 115.5
    styrene 137.66
    dioctyl adipate 76.78
    dimethyl sulfate 187.16
    ethyl butyrate 134.9
    methyl lactate 98.53
    butyl lactate 81.14
    diethyl carbonate 106.69
    propanediol butyl ether 97.8
    triethyl orthoformate 81.64
    p-tert-butyltoluene 38.43
    methyl 4-tert-butylbenzoate 115.76
    morpholine 230.28
    tert-butylamine 44.88
    n-dodecanol 27.5
    dimethoxymethane 223.01
    ethylene carbonate 245.62
    cyrene 109.17
    2-ethoxyethyl acetate 137.9
    2-ethylhexyl acetate 97.09
    1,2,4-trichlorobenzene 266.44
    4-methylpyridine 469.42
    dibutyl ether 73.59
    2,6-dimethyl-4-heptanol 34.58
    DEF 267.48
    dimethyl isosorbide 179.28
    tetrachloroethylene 428.66
    eugenol 124.56
    triacetin 131.06
    span 80 76.21
    1,4-butanediol 44.01
    1,1-dichloroethane 344.14
    2-methyl-1-pentanol 70.31
    methyl formate 289.17
    2-methyl-1-butanol 69.44
    n-decane 7.16
    butyronitrile 206.91
    3,7-dimethyl-1-octanol 47.42
    1-chlorooctane 42.13
    1-chlorotetradecane 17.6
    n-nonane 6.26
    undecane 5.83
    tert-butylcyclohexane 9.45
    cyclooctane 3.57
    cyclopentanol 76.53
    tetrahydropyran 178.87
    tert-amyl methyl ether 59.99
    2,5,8-trioxanonane 212.85
    1-hexene 31.51
    2-isopropoxyethanol 96.29
    2,2,2-trifluoroethanol 112.74
    methyl butyrate 216.3

    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