Ethyl 3-oxo-3-phenylpropanoate
Names
[ CAS No. ]:
94-02-0
[ Name ]:
Ethyl 3-oxo-3-phenylpropanoate
[Synonym ]:
Ethyl benzoylacetate
ethyl 3-oxo-3-phenylpropionate
benzoylacetic ethyl ester
benzenepropanoic acid, b-oxo-, ethyl ester
phenylformyl acetic acid ethyl ester
ethyl 3-phenyl-3-oxopropionate
MFCD00009196
Benzenepropanoic acid, β-oxo-, ethyl ester
Ethyl benzovlacetate
ethyl2-benzoylacetate
EINECS 202-295-3
3-phenyl-3-oxopropanoate
Ethyl 3-oxo-3-phenylpropanoate
Ethylbenzoylacetat
benzoyl acetic acid ethyl ester
Ethylbeonzoyl acetate
FEMA 2423
Chemical & Physical Properties
[ Density]:
1.1±0.1 g/cm3
[ Boiling Point ]:
268.1±13.0 °C at 760 mmHg
[ Melting Point ]:
< 0ºC
[ Molecular Formula ]:
C11H12O3
[ Molecular Weight ]:
192.211
[ Flash Point ]:
113.1±19.9 °C
[ Exact Mass ]:
192.078644
[ PSA ]:
43.37000
[ LogP ]:
1.87
[ Vapour density ]:
6.6 (vs air)
[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C
[ Index of Refraction ]:
1.509
[ Water Solubility ]:
INSOLUBLE
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AF4878000
- CHEMICAL NAME :
- Acetic acid, benzoyl-, ethyl ester
- CAS REGISTRY NUMBER :
- 94-02-0
- BEILSTEIN REFERENCE NO. :
- 0389944
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C11-H12-O3
- MOLECULAR WEIGHT :
- 192.23
- WISWESSER LINE NOTATION :
- 2OV1VR
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 6800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,65,1982
Safety Information
[ Personal Protective Equipment ]:
Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)
[ Hazard Codes ]:
Xi
[ Safety Phrases ]:
S24/25
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
2
[ RTECS ]:
AF4878000
[ HS Code ]:
29183000
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2918300090
[ Summary ]:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%
Articles
Org. Lett. 13 , 2392-2394, (2011)
A simple, practical, and convenient fluorination of 1,3-dicarbonyl compounds was achieved by direct use of aqueous hydrofluoric acid and iodosylbenzene (PhIO). The reaction of ethyl benzoylacetate wit...
Reaction of iodonium ylides of 1,3-dicarbonyl compounds with HF reagents.Molecules 17(6) , 6625-32, (2012)
Reaction of dibenzoylmethane with (diacetoxyiodo)benzene in the presence of KOH in MeCN quantitatively gave the corresponding iodonium ylide, which was treated with a HF reagent to afford the correspo...
A short synthesis of the triazolopyrimidine antibiotic essramycin.J. Nat. Prod. 73(11) , 1938-9, (2010)
A short synthesis of the 1,2,4-triazolo[1,5-a]pyrimidine antibiotic essramycin is described involving condensation of aminoguanidine with ethyl benzoylacetate to give an amino-1,2,4-triazole, followed...