EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

4-benzoyl pyridine
pyridine, 4-benzoyl-

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Name:phenyl(pyridin-4-yl)methanone
CAS Number: 14548-46-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:238-586-7
FDA UNII:524YQ3O21T
Nikkaji Web:J15.003G
Beilstein Number:0003864
MDL:MFCD00006430
XlogP3:2.00 (est)
Molecular Weight:183.20993000
Formula:C12 H9 N O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 72.00 °C. @ 760.00 mm Hg
Boiling Point: 315.00 °C. @ 760.00 mm Hg
Boiling Point: 130.00 to 131.00 °C. @ 1.00 mm Hg
Flash Point: 302.00 °F. TCC ( 150.00 °C. )
logP (o/w): 1.980
Soluble in:
 alcohol
 water, 1082 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Flavor Type: astringent
astringent bitter musty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
4-benzoylpyridine
Santa Cruz Biotechnology
For experimental / research use only.
Phenyl(pyridin-4-yl)methanone
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Benzoylpyridine 98%
TCI AMERICA
For experimental / research use only.
4-Benzoylpyridine >99.0%(T)
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LD50 520 mg/kg
Journal of Medicinal Chemistry. Vol. 14, Pg. 551, 1971.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for 4-benzoyl pyridine usage levels up to:
 not for fragrance use.
 
Recommendation for 4-benzoyl pyridine flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):14548-46-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :26731
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
phenyl(pyridin-4-yl)methanone
Chemidplus:0014548460
RTECS:OB6402000 for cas# 14548-46-0
 
References:
 phenyl(pyridin-4-yl)methanone
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):26731
Pubchem (sid):134991205
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2933.39.9100
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
gamma-benzoyl pyridine
4-benzoylpyridine
gamma-benzoylpyridine
 ketone, phenyl 4-pyridyl
 methanone, phenyl-4-pyridinyl-
 phenyl (4-pyridinyl) methanone
 phenyl 4-pyridyl ketone
 phenyl-4-pyridinylmethanone
 phenyl-pyridin-4-yl-methanone
 phenyl(4-pyridinyl)methanone
 phenyl(pyridin-4-yl)methanone
 pyridine, 4-benzoyl-
4-pyridyl phenyl ketone
 

Articles:

US Patents:3,952,024 - Furfurylthioacetone
PubMed:Photoinduced Oxidation of Secondary Alcohols Using 4-Benzoylpyridine as an Oxidant.
US Patents:Certain 2,5-dimethyl-3-thiopyrazines
PubMed:Generation of free oxygen atoms O((3)P) in solution by photolysis of 4-benzoylpyridine N-oxide.
PubMed:Synthesis, structure, spectral, thermal and first-order molecular hyperpolarizability of 4-benzoylpyridine isonicotinyl hydrazone monohydrate single crystals.
PubMed:Two copper(II) complexes with 4-benzoylpyridine ligand: synthesis, crystal structure and luminescent properties.
PubMed:Comparative inhibition of tetrameric carbonyl reductase activity in pig heart cytosol by alkyl 4-pyridyl ketones.
PubMed:S-nitrosoglutathione covalently modifies cysteine residues of human carbonyl reductase 1 and affects its activity.
PubMed:Studies on the 4-benzoylpyridine-3-carboxamide entity as a fragment model of the Isoniazid-NAD adduct.
PubMed:Stereoselective reduction of 4-benzoylpyridine in the heart of vertebrates.
PubMed:9,10-phenanthrenequinone, a component of diesel exhaust particles, inhibits the reduction of 4-benzoylpyridine and all-trans-retinal and mediates superoxide formation through its redox cycling in pig heart.
PubMed:Towards the chemical control of molecular packing: syntheses and crystal structures of three trans-[NiL4(NCS)2] complexes.
PubMed:Possible mechanism of superoxide formation through redox cycling of plumbagin in pig heart.
PubMed:Different topologies in three manganese-μ-azido 1D compounds: magnetic behavior and DFT-quantum Monte Carlo calculations.
PubMed:Rhenium-to-benzoylpyridine and rhenium-to-bipyridine MLCT excited states of fac-[Re(Cl)(4-benzoylpyridine)(2)(CO)(3)] and fac-[Re(4-benzoylpyridine)(CO)(3)(bpy)](+): a time-resolved spectroscopic and spectroelectrochemical study.
PubMed:Two new one-dimensional compounds with end-to-end dicyanamide as a bridging ligand: syntheses and structural characterization of trans-[Mn(4-bzpy)2(N(CN)2)2]n and cis-[Mn(Bpy)(N(CN)2)2]n, (4-bzpy = 4-benzoylpyridine; bpy = 2,2'-bipyridyl).
PubMed:Excited-state characteristics of tetracyanidonitridorhenium(V) and -technetium(V) complexes with N-heteroaromatic ligands.
PubMed:Interindividual variability of carbonyl reductase levels in human livers.
PubMed:Involvement of carbonyl reductase in superoxide formation through redox cycling of adrenochrome and 9,10-phenanthrenequinone in pig heart.
PubMed:Inhibitory effects of flavonoids on rabbit heart carbonyl reductase.
PubMed:Purification and catalytic properties of a tetrameric carbonyl reductase from rabbit heart.
PubMed:Immunohistochemical localization and physiological regulation of carbonyl reductase in immature rat ovary.
PubMed:Structural combination of established 5-HT(2A) receptor ligands: new aspects of the binding mode.
PubMed:[Structure and function of peroxisomal tetrameric carbonyl reductase].
PubMed:Luminescence ranging from red to blue: a series of copper(I)-halide complexes having rhombic {Cu2(mu-X)2} (X = Br and I) units with N-heteroaromatic ligands.
PubMed:Inhibition of rabbit heart carbonyl reductase by fatty acids.
PubMed:Characterization of multiple forms of carbonyl reductase from chicken liver.
PubMed:Effects of antiestrogens on ovarian aldo-keto reductase in relation to ovulation in rats.
PubMed:Regulation of ovarian carbonyl reductase mediated by estrogen receptor in immature rats.
PubMed:Carbonyl reductases from rat testis and vas deferens. Purification, properties and localization.
PubMed:Different functions between human monomeric carbonyl reductase 3 and carbonyl reductase 1.
PubMed:Inhibition of carbonyl reductase activity in pig heart by alkyl phenyl ketones.
PubMed:Differences in catalytic activity between rat testicular and ovarian carbonyl reductases are due to two amino acids.
PubMed:Characterization of multiple Chinese hamster carbonyl reductases.
PubMed:Pre- and post-ovulatory changes in carbonyl reductase in ovarian follicles and corpora lutea in rats.
PubMed:Carbonyl reductase activity exhibited by pig testicular 20 beta-hydroxysteroid dehydrogenase.
PubMed:Inhibition of pink color development in cooked, uncured ground turkey through the binding of non-pink generating ligands to muscle pigments.
PubMed:Effects of psychotropic drugs on aldo-keto reductase activity in rat ovary and adrenal gland.
PubMed:Purification and characterization of 5 alpha-dihydrotestosterone 3 beta-hydroxysteroid dehydrogenase from mature pig testicular cytosol.
PubMed:Structural requirements for the induction of hepatic microsomal cytochrome P450 by imidazole- and pyridine-containing compounds in rats.
PubMed:Changes and localization of ovarian carbonyl reductase during pseudopregnancy and pregnancy in rats.
PubMed:Physiological role of ovarian carbonyl reductase and effect of antiestrogen on its activity in rats.
PubMed:Kinetic mechanisms in the reduction of aldehydes and ketones catalyzed by rabbit liver aldehyde reductases and hydroxysteroid dehydrogenases.
 
Notes:
used to measure reductase activity.
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