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

Click to get detail 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

Click to get detail 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

A practical and convenient fluorination of 1,3-dicarbonyl compounds using aqueous HF in the presence of iodosylbenzene.

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...