Ethyl benzoylformate
Synonym(s):Ethyl phenylglyoxylate
- CAS NO.：1603-79-8
- Empirical Formula: C10H10O3
- Molecular Weight: 178.18
- MDL number: MFCD00009120
- EINECS: 216-504-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-05-25 18:01:09
What is Ethyl benzoylformate?
Chemical properties
clear colorless to greenish liquid
The Uses of Ethyl benzoylformate
Ethyl Benzoylformate is a general chemical reagent used in the preparation of diaminoethanediyl bismethylpyridinium salts for designing recyclable organocatalysts.
What are the applications of Application
Ethyl benzoylformate has been used in preparation of 1,5-dihydro-5-deazaflavin derivatives possessing a chiral substituent at N(3) position.
What are the applications of Application
Ethyl benzoylformate is a phenylacetate compound used as a synthetic reagent
Definition
ChEBI: Ethyl benzoylformate is the ethyl ester of phenylglyoxylic acid. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It derives from a phenylglyoxylic acid.
Synthesis Reference(s)
Journal of the American Chemical Society, 82, p. 918, 1960
The Journal of Organic Chemistry, 50, p. 3573, 1985 DOI: 10.1021/jo00219a025
Tetrahedron Letters, 23, p. 3661, 1982 DOI: 10.1016/S0040-4039(00)88651-7
General Description
Enantioselective hydrogenation of ethyl benzoylformate on Pt/Al2O3 modified with dihydrocinchonidine has been studied.
Properties of Ethyl benzoylformate
| Boiling point: | 138-139 °C/18 mmHg (lit.) |
| Density | 1.122 g/mL at 25 °C (lit.) |
| refractive index | 1.515-1.517 |
| Flash point: | 113 °C |
| storage temp. | Store below +30°C. |
| form | Liquid |
| color | Clear colorless to greenish |
| Specific Gravity | 1.122 |
| Water Solubility | Soluble in water 1143 mg/L @ 25°C . |
| Sensitive | Moisture Sensitive |
| InChI | InChI=1S/C10H10O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| CAS DataBase Reference | 1603-79-8(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzeneacetic acid, «alpha»-oxo-, ethyl ester(1603-79-8) |
| EPA Substance Registry System | Benzeneacetic acid, .alpha.-oxo-, ethyl ester (1603-79-8) |
Safety information for Ethyl benzoylformate
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H227:Flammable liquids H302:Acute toxicity,oral H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P370+P378:In case of fire: Use … for extinction. P405:Store locked up. P403+P235:Store in a well-ventilated place. Keep cool. |
Computed Descriptors for Ethyl benzoylformate
| InChIKey | QKLCQKPAECHXCQ-UHFFFAOYSA-N |
| SMILES | C1(C=CC=CC=1)C(=O)C(=O)OCC |
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