94-02-0
Product Name:
Ethyl benzoylacetate
Formula:
C11H12O3
Synonyms:
Benzoylacetic acid ethyl ester;Benzoylacetic acid ethyl ester, 3-Oxo-3-phenylpropionic acid ethyl ester;Ethyl 3-oxo-3-phenylpropionate;Ethyl benzoylacetate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid with a pleasant odor; Turns yellow from light and air; [Merck Index] Colorless or yellow liquid; [Alfa Aesar MSDS] |
|---|---|
| Boiling Point | 265.00 to 270.00 °C. @ 760.00 mm Hg |
| Melting Point | < 0 °C |
| Solubility | insoluble in water; soluble in organic solvents, oils |
| Density | 1.107-1.120 |
| LogP | 1.87 |
| Refractive Index | 1.524-1.533 |
| Chemical Classes | Other Classes -> Esters, Other |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 192.21 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 192.078644241 g/mol |
| Monoisotopic Mass | 192.078644241 g/mol |
| Topological Polar Surface Area | 43.4 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 205 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ethyl 3-oxo-3-phenylpropanoate is an aromatic ketone.