3-acetyl coumarin

3-acetylchromen-2-one

CAS: 3949-36-8 C11 H8 O3 MW: 188.18236000

Identification

Name3-acetyl coumarin
CAS Number3949-36-8
EINECS223-541-6
FDA UNIIID71XJ0D40
Molecular FormulaC11 H8 O3
Molecular Weight188.18236000
MDL NumberMFCD00006853
Nikkaji NumberJ79.887H

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 SDSView
Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categorynatural substances and extractives
Recommendation for 3-acetyl coumarin usage levels up tonot for fragrance use.
Recommendation for 3-acetyl coumarin flavor usage levels up tonot for flavor use.

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Potential Uses

None Found

Natural Occurrence

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- 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