Ethyl acetoacetate - CAS 141-97-9
Catalog: |
BB009278 |
Product Name: |
Ethyl acetoacetate |
CAS: |
141-97-9 |
Synonyms: |
ethyl 3-oxobutanoate |
IUPAC Name: | ethyl 3-oxobutanoate |
Description: | Ethyl acetoacetate (CAS# 141-97-9) is a chemical intermediate used in the production of various analgesics, antibiotics and antimalarial agents. |
Molecular Weight: | 130.14 |
Molecular Formula: | C6H10O3 |
Canonical SMILES: | CCOC(=O)CC(=O)C |
InChI: | InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3 |
InChI Key: | XYIBRDXRRQCHLP-UHFFFAOYSA-N |
Boiling Point: | 180 °C |
Melting Point: | -45 °C |
Flash Point: | 70°C |
Purity: | 95 % |
Density: | 1.021 g/cm3 |
Appearance: | Colourless liquid |
Storage: | Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage. |
MDL: | MFCD00009199 |
LogP: | 0.52860 |
Refractive Index: | 1.418-1.42 |
Stability: | Stable. Incompatible with acids, bases, oxidizing agents, reducing agents, alkali metals. Combustible. |
Vapor Pressure: | 1 mm Hg ( 28.5 °C) |
GHS Hazard Statement: | H315 (17.44%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-11033516-B1 | Combination therapies with disulfiram | 20200918 |
US-11008322-B1 | Method of synthesizing (1S,12bS) lactam ester compound | 20200219 |
US-2021189267-A1 | Method and device for viscosity-reducing and upgrading of low-grade heavy oil | 20191223 |
WO-2021121363-A1 | Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis b infections | 20191220 |
WO-2021122684-A1 | Dodecandien-1-ol and dodecen-1-ol or mixtures thereof as aroma chemicals | 20191220 |
PMID | Publication Date | Title | Journal |
23449067 | 20130227 | Synthesis, antibacterial and antifungal activity of some new pyrazoline and pyrazole derivatives | Molecules (Basel, Switzerland) |
22999476 | 20121015 | Determination of erythrocyte methotrexate polyglutamates by liquid chromatography/tandem mass spectrometry after low-dose methotrexate therapy in Chinese patients with rheumatoid arthritis | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
23018926 | 20120927 | 3-Amino-8-hydroxy-4-imino-6-methyl-5-phenyl-4,5-dihydro-3H-chromeno [2,3-d]pyrimidine: an effecient key precursor for novel synthesis of some interesting triazines and triazepines as potential anti-tumor agents | Molecules (Basel, Switzerland) |
22901391 | 20120915 | Design, solvent free synthesis, and antimicrobial evaluation of 1,4 dihydropyridines | Bioorganic & medicinal chemistry letters |
22968474 | 20120911 | Synthesis of a new series of pyridine and fused pyridine derivatives | Molecules (Basel, Switzerland) |
Complexity: | 118 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.062994177 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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