15206-55-0
Product Name:
Methyl benzoylformate
Formula:
C9H8O3
Synonyms:
Methyl phenylglyoxylate;Methylphenyl glyoxylate;Phenylglyoxylic acid methyl ester, Benzoyl formic acid methyl ester
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CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1335.1 |
|---|
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H334:Sensitisation, respiratory H340:Germ cell mutagenicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P280:Wear protective gloves/protective clothing/eye protection/face protection. P284:Wear respiratory protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P308+P313:IF exposed or concerned: Get medical advice/attention. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 164.16 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 164.047344113 g/mol |
| Monoisotopic Mass | 164.047344113 g/mol |
| Topological Polar Surface Area | 43.4 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 180 |
| 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
Methyl phenylglyoxalate is the methyl ester of phenylglyoxylic acid with methanol. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is a methyl ester and an alpha-ketoester. It is functionally related to a phenylglyoxylic acid.