3-acetyl coumarin
3-acetylchromen-2-one
Identification
| Name | 3-acetyl coumarin |
| CAS Number | 3949-36-8 |
| EINECS | 223-541-6 |
| FDA UNII | ID71XJ0D40 |
| Molecular Formula | C11 H8 O3 |
| Molecular Weight | 188.18236000 |
| MDL Number | MFCD00006853 |
| Nikkaji Number | J79.887H |
Regulatory
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) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| 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. |
Potential Uses
Natural Occurrence
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-
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