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

cinnamophenone
1-benzoyl-2-phenylethene

Supplier Sponsors

Name:1,3-di(phenyl)prop-2-en-1-one
CAS Number: 94-41-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:202-330-2
FDA UNII: 5S5A2Q39HX
Beilstein Number:1210466
MDL:MFCD00003082
XlogP3:3.10 (est)
Molecular Weight:208.25984000
Formula:C15 H12 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge 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
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
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: 57.50 °C. @ 760.00 mm Hg
Boiling Point: 346.50 °C. @ 760.00 mm Hg
Boiling Point: 208.00 °C. @ 25.00 mm Hg
Vapor Pressure:0.000010 mmHg @ 25.00 °C. (est)
Flash Point: 302.00 °F. TCC ( 150.00 °C. )
logP (o/w): 3.080
Soluble in:
 alcohol
 water, 92.93 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
1,3-Diphenyl-2-propenone 97%
ExtraSynthese
For experimental / research use only.
Chalcone (HPLC) ≥95%
Penta International
BENZALACETOPHENONE
Sigma-Aldrich: Aldrich
For experimental / research use only.
1,3-Diphenyl-2-propenone ≥98.0% (GC)
sds
TCI AMERICA
For experimental / research use only.
Chalcone >95.0%(GC)
sds
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 36/37 - Irritating to eyes and respiratory system.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
 
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 681 mg/kg
Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 18, Pg. 65, 1979.

intravenous-mouse LD50 56 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04476

oral-rat LD50 > 500 mg/kg
National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center,Review.Vol.5,Pg.28,1953

oral-rat LD > 500 mg/kg
National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 28, 1953.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for cinnamophenone usage levels up to:
 not for fragrance use.
 
Recommendation for cinnamophenone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):94-41-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7189
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1,3-di(phenyl)prop-2-en-1-one
Chemidplus:0000094417
RTECS:FL6900000 for cas# 94-41-7
 
References:
 1,3-di(phenyl)prop-2-en-1-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):7189
Pubchem (sid):134971130
 
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
Golm Metabolome Database:Search
Metabolomics Database:Search
KEGG (GenomeNet):C01484
HMDB (The Human Metabolome Database):HMDB03066
FooDB:FDB023102
Export Tariff Code:2914.39.9000
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 acrylophenone, 3-phenyl-
2-benzal acetophenone
 benzalacetophenone
2-benzalacetophenone
beta-benzoyl styrene
1-benzoyl-1-phenyl ethene
1-benzoyl-2-phenyl ethene
1-benzoyl-2-phenylethene
 benzylidene acetophenone
2-benzylidene acetophenone
alpha-benzylidene acetophenone
 benzylideneacetophenone
2-benzylideneacetophenone
a-benzylideneacetophenone
 benzylidenecetophenone
 chalcone
1,3-di(phenyl)prop-2-en-1-one
1,3-diphenyl propenone
1,3-diphenyl-1-propen-3-one
1,3-diphenyl-2-propen-1-one
1,3-diphenylprop-2-en-1-one
1,3-diphenylpropenone
 phenyl 2-phenyl vinyl ketone
3-phenyl acrylophenone
beta-phenyl acrylophenone
 phenyl styryl ketone
1-phenyl-2-benzoyl ethylene
1-phenyl-2-benzoylethylene
 styryl phenyl ketone
 

Articles:

PubMed:Metabolic engineering in strawberry fruit uncovers a dormant biosynthetic pathway.
J-Stage:Six New Chalcones from Angelica keiskei Inducing Adiponectin Production in 3T3-L1 Adipocytes
PubMed:Xanthohumol, a chalcon derived from hops, inhibits hepatic inflammation and fibrosis.
PubMed:Cloning and molecular analysis of HlbZip1 and HlbZip2 transcription factors putatively involved in the regulation of the lupulin metabolome in hop (Humulus lupulus L.).
PubMed:Increased IL-2 production in T cells by xanthohumol through enhanced NF-AT and AP-1 activity.
PubMed:Differential anti-inflammatory pathway by xanthohumol in IFN-gamma and LPS-activated macrophages.
PubMed:Metabolic engineering of plant cells for biotransformation of hesperedin into neohesperidin, a substrate for production of the low-calorie sweetener and flavor enhancer NHDC.
PubMed:Antiinvasive effect of xanthohumol, a prenylated chalcone present in hops (Humulus lupulus L.) and beer.
PubMed:Probing plant polyketide biosynthesis.
 
Notes:
1,3-diphenyl-2-propen-1-one. Chalcone is an aromatic ketone that forms the central core for a variety of important biological compounds, which are known collectively as chalcones. They show antibacterial, antifungal, antitumor and anti-inflammatory properties. They are also intermediates in the biosynthesis of flavonoids, which are substances widespread in plants and with an array of biological activities. Chalcones are also intermediates in the Auwers synthesis of flavones.Chalcones can be prepared by an aldol condensation between a benzaldehyde and an acetophenone in the presence of sodium hydroxide as a catalyst. This reaction has been found to work in without any solvent at all - a solid-state reaction.[2] The reaction between substituted benzaldehydes and acetophenones has been used to demonstrate green chemistry in undergraduate chemistry education.[3] In a study investigating green chemistry synthesis, chalcones were also synthesized from the same starting materials in high temperature water (200 to 350 degree centigrade).[4] [HMDB]
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