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4-benzyl pyridine
pyridine, 4-(phenylmethyl)-

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Name:4-benzylpyridine
CAS Number: 2116-65-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:218-319-0
FDA UNII:1P29GQM0OH
Nikkaji Web:J51.286I
Beilstein Number:0115831
MDL:MFCD00006443
XlogP3:2.60 (est)
Molecular Weight:169.22667000
Formula:C12 H11 N
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
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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
Specific Gravity:1.06100 to 1.06500 @ 20.00 °C.
Pounds per Gallon - (est).: 8.839 to 8.872
Refractive Index:1.58000 to 1.58300 @ 20.00 °C.
Melting Point: 12.40 °C. @ 760.00 mm Hg
Boiling Point: 288.00 °C. @ 760.00 mm Hg
Boiling Point: 285.00 to 286.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.005000 mmHg @ 25.00 °C. (est)
Flash Point: 239.00 °F. TCC ( 115.00 °C. )
logP (o/w): 2.620
Soluble in:
 alcohol
 water, 7162 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Flavor Type: bitter
bitter
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
EMD Millipore
For experimental / research use only.
4-Benzylpyridine
Glentham Life Sciences
4-Benzylpyridine
Santa Cruz Biotechnology
For experimental / research use only.
4-Benzylpyridine
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Benzylpyridine 98%
TCI AMERICA
For experimental / research use only.
4-Benzylpyridine >98.0%(GC)
 
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:
oral-rat LD50 560 ul/kg
SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
National Technical Information Service. Vol. OTS0570988

oral-mouse LD50 630 ul/kg
BEHAVIORAL: TREMOR GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0570988

oral-bird - wild LD50 18 mg/kg
Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.

intravenous-mouse LD50 25 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12240

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for 4-benzyl pyridine usage levels up to:
 not for fragrance use.
 
Recommendation for 4-benzyl pyridine flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):2116-65-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :16458
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
4-benzylpyridine
Chemidplus:0002116656
RTECS:US2625000 for cas# 2116-65-6
 
References:
 4-benzylpyridine
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):16458
Pubchem (sid):134982525
 
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-benzyl pyridine
4-benzyl-pyridine
4-benzylpyridine
gamma-benzylpyridine
4-(phenylmethyl)-pyridine
4-(phenylmethyl)pyridine
 pyridine, 4-(phenylmethyl)-
 pyridine, 4-benzyl-
 

Articles:

US Patents:3,931,166 - Certain 2,5-dimethyl-3-thiopyrazines
PubMed:Structures of cytochrome P450 2B6 bound to 4-benzylpyridine and 4-(4-nitrobenzyl)pyridine: insight into inhibitor binding and rearrangement of active site side chains.
US Patents:Flavoring agent
PubMed:Nickel-quinolones interaction: part 3--Nickel(II) complexes of the antibacterial drug flumequine.
PubMed:Interaction between tetramethylcucurbit[6]uril and some pyridine derivates.
PubMed:New potent and selective cytochrome P450 2B6 (CYP2B6) inhibitors based on three-dimensional quantitative structure-activity relationship (3D-QSAR) analysis.
PubMed:First total synthesis of the 2,7-naphthyridine alkaloids lophocladine a and B.
PubMed:Synthesis, characterization, and preliminary oxygenation studies of benzyl- and ethyl-substituted pyridine ligands of carboxylate-rich diiron(II) complexes.
PubMed:Structural requirements for the induction of hepatic microsomal cytochrome P450 by imidazole- and pyridine-containing compounds in rats.
PubMed:Induction of hepatic microsomal cytochrome P450 and drug-metabolizing enzymes by 4-benzylpyridine and its structurally related compounds in rats. Dose- and sex-related differential induction of cytochrome P450 species.
PubMed:Drug metabolizing enzyme induction by simple diaryl pyridines; 2-substituted isomers selectively increase only conjugation enzyme activities, 4-substituted isomers also induce cytochrome P450.
PubMed:Structure-activity relationships in the induction of hepatic microsomal cytochrome P450 by clotrimazole and its structurally related compounds in rats.
PubMed:Time-dependent inhibition of rat brain monoamine oxidase by an analogue of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP), 4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine.
PubMed:Synthesis and biological evaluation of 1-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)pyridinium hydroxide inner salt derivatives.
PubMed:Dichromate salts of 2-benzyl and 4-benzylpyridine.
 
Notes:
a potent inducer of hepatic microsomal cytochrome p450; dose- and sex-dependent effects.
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