| Identification | More | [Name]
Ethyl benzoylacetate | [CAS]
94-02-0 | [Synonyms]
3-OXO-3-PHENYLPROPIONIC ACID ETHYL ESTER
AKOS 92622
AKOS BBS-00004233
BENZOYLACETIC ACID ETHYL ESTER
BETA-OXO BENZENEPROPANOIC ACID ETHYL ESTER
ETHYL 3-OXO-3-PHENYLPROPANOATE
ETHYL 3-OXO-3-PHENYLPROPIONATE
Ethyl 3-phenyl-3-oxopropanoate
ETHYL 3-PHENYL-3-OXOPROPIONATE
ETHYL BENZOYLACETATE
ETHYL BETA-KETO-BETA-PHENYLPROPIONATE
FEMA 2423
LABOTEST-BB LTBB001316
Acetic acid, benzoyl-, ethyl ester
Benzenepropanoic acid, beta-oxo-, ethyl ester
Benzenepropanoicacid,.beta.-oxo-,ethylester
Benzenepropanoicacid,b-oxo-,ethylester
benzoyl-aceticaciethylester
beta-oxo-benzenepropanoicaciethylester
Ethyl beta-oxobenzenepropanoate | [EINECS(EC#)]
202-295-3 | [Molecular Formula]
C11H12O3 | [MDL Number]
MFCD00009196 | [Molecular Weight]
192.21 | [MOL File]
94-02-0.mol |
| Chemical Properties | Back Directory | [Appearance]
Brownish liquid | [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 | [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 | [Usage]
Ethyl benzoylacetate (Best) is used as an intermediate for different organic synthesis Product Data Sheet | [Detection Methods]
HPLC,NMR,MS | [JECFA Number]
834 | [Merck ]
14,3767 | [BRN ]
389944 | [Dielectric constant]
12.8（20℃） | [InChIKey]
GKKZMYDNDDMXSE-UHFFFAOYSA-N | [LogP]
1.87 | [CAS DataBase Reference]
94-02-0(CAS DataBase Reference) | [NIST Chemistry Reference]
Ethyl benzoylacetate(94-02-0) | [Storage Precautions]
Light sensitive;Air sensitive | [EPA Substance Registry System]
94-02-0(EPA Substance) |
| Safety Data | Back Directory | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [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 |
| Hazard Information | Back Directory | [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 an intermediate for different organic synthesis Product Data Sheet | [Uses]
Ethyl benzoylacetate (Best) is used as intermediate for different organic synthesis. Product Data Sheet | [Definition]
ChEBI: Ethyl 3-oxo-3-phenylpropanoate is an aromatic ketone. | [Preparation]
By condensation of ethyl benzoate with ethyl acetate (via Claisen condensation) using sodium ethoxide; another method
also known. | [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. |
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