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2-(2-phenyl ethyl) chromone

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Name:2-(2-phenylethyl)chromen-4-one
CAS Number: 61828-53-3Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J19.454I
XlogP3:4.20 (est)
Molecular Weight:250.29698000
Formula:C17 H14 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Patents:Search
US Patents:Search
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PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 393.00 to 394.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.000002 mmHg @ 25.00 °C. (est)
Flash Point: 349.00 °F. TCC ( 176.30 °C. ) (est)
logP (o/w): 2.933 (est)
Soluble in:
 alcohol
 water, 3.448 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Flindersiachromone >95%
Odor: characteristic
Use: Flindersiachromone is found in the herbs of Aquilaria sinensis.
 
Safety Information:
 
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:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for 2-(2-phenyl ethyl) chromone usage levels up to:
 not for fragrance use.
 
Recommendation for 2-(2-phenyl ethyl) chromone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :441964
National Institute of Allergy and Infectious Diseases:Data
2-(2-phenylethyl)chromen-4-one
Chemidplus:0061828533
 
References:
 2-(2-phenylethyl)chromen-4-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):441964
Pubchem (sid):135233763
 
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
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C09007
HMDB (The Human Metabolome Database):Search
Typical G.C.
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
 agarwood oil @ 16.10%
Data GC Search PMC Picture
 aquilaria sinensis
Search Trop Picture
 
Synonyms:
2-(2-phenyl ethyl)-4H-1-benzopyran-4-one
2-(2-phenylethyl)chromen-4-one
 

Articles:

PubMed:Natural occurring 2-(2-phenylethyl) chromones, structure elucidation and biological activities.
PubMed:2-(2-phenylethyl)chromone derivatives from Chinese agarwood induced by artificial holing.
PubMed:A new 2-(2-phenylethyl)chromone derivative in Chinese agarwood 'Qi-Nan' from Aquilaria sinensis.
PubMed:5-Hydroxy-2-(2-phenylethyl)chromone (5-HPEC): a novel non-nitrogenous ligand for 5-HT2B receptor.
PubMed:Identification and quantification of 5,6,7,8-tetrahydro-2-(2-phenylethyl)chromones in Chinese eaglewood by HPLC with diode array detection and MS.
PubMed:Characterization and determination of 2-(2-phenylethyl)chromones in agarwood by GC-MS.
PubMed:An efficient procedure for the preparation of natural products bearing the 2-(2-phenylethyl)chromone skeleton.
PubMed:2-(2-phenylethyl)chromone derivatives in Chinese agarwood "Qi-Nan" from Aquilaria sinensis.
PubMed:Tandem mass spectrometry fragmentation of the protonated 2-(2-phenylethyl)chromones from agarwood: radical ions versus non-radical ions.
PubMed:Evaluating agarwood products for 2-(2-phenylethyl)chromones using direct analysis in real time time-of-flight mass spectrometry.
PubMed:Structural characterization and identification of major constituents in Jitai tablets by high-performance liquid chromatography/diode-array detection coupled with electrospray ionization tandem mass spectrometry.
PubMed:2-(2-phenylethyl)chromones from Chinese eaglewood.
PubMed:New 2-(2-phenylethyl)chromone derivatives from the seeds of Cucumis melo L var. reticulatus.
PubMed:Two new 2-(2-phenylethyl)chromones from Chinese eaglewood.
PubMed:A new 2-(2-phenylethyl)chromone from Chinese eaglewood.
PubMed:Neuroprotective 2-(2-phenylethyl)chromones of Imperata cylindrica.
PubMed:New sesquiterpene from Vietnamese agarwood and its induction effect on brain-derived neurotrophic factor mRNA expression in vitro.
PubMed:Three 2-(2-phenylethyl) chromones and two terpenes from agarwood.
PubMed:Four new 2-(2-phenylethyl)chromone derivatives from withered wood of Aquilaria sinensis.
PubMed:Six new 2-(2-phenylethyl)chromones from Agarwood.
PubMed:[Studies on the chemical constituents of Aquilaria sinensis (Lour.) Gilg. V. Isolation and characterization of three 2-(2-phenylethyl) chromone derivatives].
PubMed:[Studies on the chemical constituents of Aquilaria sinensis(Lour.) Gilg. IV. Isolation and characterization of 2-(2-phenylethyl)chromone derivatives].
 
Notes:
from aquilaria sinensis.
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