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| | Ethyl benzoylacetate Basic information |
| Product Name: | Ethyl benzoylacetate | | Synonyms: | AKOS 92622;AKOS BBS-00004233;3-OXO-3-PHENYLPROPIONIC ACID ETHYL ESTER;LABOTEST-BB LTBB001316;ETHYL BENZOYLACETATE;ETHYL BETA-KETO-BETA-PHENYLPROPIONATE;Ethyl 3-phenyl-3-oxopropanoate;ETHYL 3-PHENYL-3-OXOPROPIONATE | | CAS: | 94-02-0 | | MF: | C11H12O3 | | MW: | 192.21 | | EINECS: | 202-295-3 | | Product Categories: | Pyridines;Pharmaceutical Intermediates;1 | | Mol File: | 94-02-0.mol |  |
| | Ethyl benzoylacetate Chemical Properties |
| Melting point | <0 °C | | Boiling point | 265-270 °C (lit.) | | density | 1.11 g/mL at 25 °C (lit.) | | vapor density | 6.6 (vs air) | | vapor pressure | 1 hPa (108 °C) | | FEMA | 2423 | ETHYL BENZOYLACETATE | | refractive index | n20/D 1.52(lit.) | | Fp | 147 °F | | storage temp. | Store below +30°C. | | solubility | alcohol: miscible | | form | Powder | | pka | 9.85±0.23(Predicted) | | color | Brown | | Odor | at 100.00 %. fruity cherry naphthyl hawthorn cumin phenolic almond spicy woody maraschino cherry | | Odor Type | fruity | | Water Solubility | INSOLUBLE | | Sensitive | Light Sensitive | | Merck | 14,3767 | | JECFA Number | 834 | | BRN | 389944 | | InChIKey | GKKZMYDNDDMXSE-UHFFFAOYSA-N | | LogP | 1.87 | | CAS DataBase Reference | 94-02-0(CAS DataBase Reference) | | NIST Chemistry Reference | Ethyl benzoylacetate(94-02-0) | | EPA Substance Registry System | Benzenepropanoic acid, .beta.-oxo-, ethyl ester (94-02-0) |
| Safety Statements | 24/25 | | WGK Germany | 2 | | RTECS | AF4878000 | | Autoignition Temperature | 375 °C DIN 51794 | | TSCA | Yes | | HazardClass | IRRITANT | | HS Code | 29183000 | | Toxicity | LD50 orally in Rabbit: > 5000 mg/kg |
| | Ethyl benzoylacetate Usage And Synthesis |
| Chemical Properties | Brownish liquid | | Chemical Properties | Ethyl benzoylacetate has a brandy-like odor and sweet, woody, cherry, phenolic-like flavor. | | Uses | Ethyl benzoylacetate (Best) is used as intermediate for different organic synthesis. Product Data Sheet | | Uses | Ethyl benzoylacetate (Benzoylacetic acid ethyl ester) was used to prepare ethyl 2-fluoro-2-benzolyacetate. It was also used to synthesize iodonium ylides. | | Uses | Ethyl benzoylacetate (Best) is used as an intermediate for different organic synthesis Product Data Sheet | | Preparation | By condensation of ethyl benzoate with ethyl acetate (via Claisen condensation) using sodium ethoxide; another method
also known. | | Definition | ChEBI: Ethyl 3-oxo-3-phenylpropanoate is an aromatic ketone. | | Taste threshold values | Taste characteristics at 10 ppm: sweet, cherry, fruity, berry-like with woody, jamy notes. | | Synthesis Reference(s) | Journal of Medicinal Chemistry, 28, p. 1864, 1985 DOI: 10.1021/jm00150a018
Journal of Heterocyclic Chemistry, 32, p. 723, 1995 DOI: 10.1002/jhet.5570320303
The Journal of Organic Chemistry, 38, p. 2731, 1973 DOI: 10.1021/jo00955a040 | | General Description | Ethyl benzoylacetate is an ester. It undergoes microbial reduction by bakers′ yeast (Saccharomyces cerevisiae), Beauveria sulfurescens or Geotrichum candidum to afford ethyl (S)-3-hydroxy-3-phenylpropionate. It undergoes Claisen condensation reaction with malononitrile to afford 2-cyano-5-phenyl-3,5-dioxopentanonitrile which on cyclization followed by coupling with diazonium salts yields azo derivatives. |
| | Ethyl benzoylacetate Preparation Products And Raw materials |
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