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2-benzyl pyridine
pyridine, 2-(phenylmethyl)-

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Name:2-benzylpyridine
CAS Number: 101-82-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:202-979-1
FDA UNII: EW2N4V60MQ
Nikkaji Web:J36.122D
Beilstein Number:0115875
MDL:MFCD00006352
XlogP3-AA:2.80 (est)
Molecular Weight:169.22667000
Formula:C12 H11 N
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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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:1.05400 to 1.05900 @ 20.00 °C.
Pounds per Gallon - (est).: 8.781 to 8.822
Refractive Index:1.57600 to 1.58200 @ 20.00 °C.
Melting Point: 12.50 °C. @ 760.00 mm Hg
Boiling Point: 277.00 °C. @ 760.00 mm Hg
Boiling Point: 266.00 to 267.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.008000 mmHg @ 25.00 °C. (est)
Flash Point: 257.00 °F. TCC ( 125.00 °C. )
logP (o/w): 2.570 (est)
Soluble in:
 alcohol
 water, 3017 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Flavor Type: green
green astringent
Taste Description: green astringent
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
EMD Millipore
For experimental / research use only.
2-Benzylpyridine
sds
Penta International
2-BENZYLPYRIDINE
Santa Cruz Biotechnology
For experimental / research use only.
2-Benzylpyridine 98%
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Benzylpyridine 98%
sds
TCI AMERICA
For experimental / research use only.
2-Benzylpyridine >98.0%(GC)(T)
sds
 
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:
Not determined
Dermal Toxicity:
subcutaneous-mouse LD50 1500 mg/kg
BEHAVIORAL: TREMOR CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 227, Pg. 129, 1955.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for 2-benzyl pyridine usage levels up to:
 not for fragrance use.
 
Recommendation for 2-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):101-82-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7581
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-benzylpyridine
Chemidplus:0000101826
RTECS:US2620000 for cas# 101-82-6
 
References:
 2-benzylpyridine
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):7581
Pubchem (sid):134971153
Pherobase:View
 
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
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 abelmoschus moschatus medik seed
Search Trop Picture
 
Synonyms:
2-benzylpyridine
2-(phenylmethyl)pyridine
 pyridine, 2-(phenylmethyl)-
 pyridine, 2-benzyl-
 

Articles:

US Patents:3,931,166 - Certain 2,5-dimethyl-3-thiopyrazines
PubMed:Spectroscopic (FTIR, FT-Raman, UV and NMR) investigation and NLO, HOMO-LUMO, NBO analysis of 2-Benzylpyridine based on quantum chemical calculations.
US Patents:Flavoring agent
PubMed:Copper-catalyzed α-methylenation of benzylpyridines using dimethylacetamide as one-carbon source.
PubMed:Ruthenium(II) complexes of 2-benzoylpyridine-derived thiosemicarbazones with cytotoxic activity against human tumor cell lines.
PubMed:Interaction between tetramethylcucurbit[6]uril and some pyridine derivates.
PubMed:Synthesis, characterization, and preliminary oxygenation studies of benzyl- and ethyl-substituted pyridine ligands of carboxylate-rich diiron(II) complexes.
PubMed:Oxidation of sulfide, phosphine, and benzyl substrates tethered to N-donor pyridine ligands in carboxylate-bridged diiron(II) complexes.
PubMed:Reactions of an amphoteric terminal tungsten methylidyne complex.
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:alpha-(2-Pyridine)benzyl aryl ketones as potential hypocholesteremic agents.
 
Notes:
an inducer of hepatic microsomal cytochrome p450.
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