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

3-acetyl coumarin
3-acetylchromen-2-one

Supplier Sponsors

CAS Number: 3949-36-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:223-541-6
FDA UNII: ID71XJ0D40
Nikkaji Web:J79.887H
MDL:MFCD00006853
XlogP3-AA:1.80 (est)
Molecular Weight:188.18236000
Formula:C11 H8 O3
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:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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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
Boiling Point: 391.65 °C. @ 760.00 mm Hg (est)
Flash Point: 354.00 °F. TCC ( 179.00 °C. ) (est)
logP (o/w): 1.726 (est)
Soluble in:
 water, 1.061e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
ExtraSynthese
For experimental / research use only.
3-Acetylcoumarin (HPLC) ≥95%
Santa Cruz Biotechnology
For experimental / research use only.
3-Acetylcoumarin
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Acetylcoumarin 96%
TCI AMERICA
For experimental / research use only.
3-Acetylcoumarin >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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for 3-acetyl coumarin usage levels up to:
 not for fragrance use.
 
Recommendation for 3-acetyl coumarin 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 :77553
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-acetylchromen-2-one
Chemidplus:0003949368
 
References:
 3-acetylchromen-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):77553
Pubchem (sid):135034522
 
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:2932.20.4500
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
 found in nature
 
Synonyms:
3-acetyl-2-oxochromene
3-acetyl-2H-1-benzopyran-2-one
3-acetyl-2H-chromen-2-one
3-acetylchromen-2-one
3-acetylcoumarin
2H-1-benzopyran-2-one, 3-acetyl-
 coumarin, 3-acetyl-
 

Articles:

PubMed:Synthesis and Cytotoxic Evaluation of Pyran, Dihydropyridine and Thiophene Derivatives of 3-Acetylcoumarin
PubMed:Real-time Monitoring of Reactions Performed Using Continuous-flow Processing: The Preparation of 3-Acetylcoumarin as an Example
PubMed:Copper complex derived from S-benzyldithiocarbazate and 3-acetylcoumarin induced apoptosis in breast cancer cell
PubMed:Synthesis, characterization and biological activity of Cu(II), Zn(II) and Re(I) complexes derived from S-benzyldithiocarbazate and 3-acetylcoumarin
PubMed:Synthesis, characterisation and biological evaluation of lanthanide(III) complexes with 3-acetylcoumarin-o-aminobenzoylhydrazone (ACAB)
PubMed:Spectroscopic, magnetic and thermal studies of Co(II), Ni(II), Cu(II) and Zn(II) complexes of 3-acetylcoumarin-isonicotinoylhydrazone and their antimicrobial and anti-t
PubMed:Synthesis and antitumor studies on novel Co(II), Ni(II) and Cu(II) metal complexes of bis(3-acetylcoumarin)thiocarbohydrazone
PubMed:FTIR, FT-Raman, FT-NMR and quantum chemical investigations of 3-acetylcoumarin
PubMed:Synthesis and antioxidant evaluation of some new 3-substituted coumarins
PubMed:An Efficient Fluorescence "Turn-On" Chemosensor Comprising of Coumarin and Rhodamine Moieties for Al(3+) and Hg(2)
PubMed:A new and efficient method for the synthesis of novel 3-acetyl coumarins oxadiazoles derivatives with expected biological activity
PubMed:Design, synthesis, and structure-activity relationship study of O-prenylated 3-acetylcoumarins as potent inhibitors of soybean 15-lipoxygenase
PubMed:Vibrational assignments and electronic structure calculations for 3-acetylcoumarin
PubMed:Metabolism of 3-acetylcoumarin in rat 9000xg supernatant fraction (S-9)and baker's yeast
PubMed:Synthesis and Spectral Characterization of Asymmetric Azines Containing a Coumarin Moiety: The Discovery of New Antimicrobial and Antioxidant Agents
PubMed:Synthesis of some 1H-1,5-benzodiazepine Series Containing Chromene Ring from à,?-Unsaturated Ketones of 6-Acetyl-5-Hydroxy-4-Methylcoumarin
PubMed:Synthesis, spectroscopic investigation and computational study of 3-(1-(((methoxycarbonyl)oxy)imino)ethyl)-2H-chromen-2-one
PubMed:Synthesis of new substituted chromen[4,3-c]pyrazol-4-ones and their antioxidant activities
PubMed:Synthesis and Characterization of Some New Coumarins with in Vitro Antitumor and Antioxidant Activity and High Protective Effects against DNA Damage
PubMed:Silver(I) dithiocarbamate on modified magnetic cellulose: Synthesis, density functional theory study and application
PubMed:Microwave assisted synthesis, spectroscopic, electrochemical and DNA cleavage studies of lanthanide(III) complexes with coumarin based imines
PubMed:Synthesis, Characterization and Photophysical Studies of Tricoumarin-Pyridines
PubMed:Study of heterocycle rings binding to human serum albumin
PubMed:Raman spectroscopy as a tool for monitoring mesoscale continuous-flow organic synthesis: Equipment interface and assessment in four medicinally-relevant reactions
PubMed:Use of Raman spectroscopy as a tool for in situ monitoring of microwave-promoted reactions
PubMed:Use of Raman spectroscopy as an in situ tool to obtain kinetic data for organic transformations
PubMed:[Studies of chemopreventive agents against neoplasma: synthesis of 3-acetyl coumarin derivatives and relationship between antimutagenic activity and structure]
PubMed:Metal-pyrazolyl diazine interaction: synthesis, structure and electrochemistry of binuclear transition metal(II) complexes derived from an 'end-off' compartmental Schif
PubMed:Binding of coumarins to site I of human serum albumin. Effect of the fatty acids
PubMed:Highly efficient coumarin-derived colorimetric chemosensors for sensitive sensing of fluoride ions and their applications in logic circuits
PubMed:Exploring the lower limit in hydrogen bonds: analysis of weak C-H...O and C-H...pi interactions in substituted coumarins from charge density analysis
PubMed:The binding of benzopyranes to human serum albumin. A structure-affinity study
 
Notes:
None found
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