3952-66-7
Product Name:
METHYL 2-KETOBUTYRATE, 96
Formula:
C5H8O3
Synonyms:
2-Oxobutyric acid methyl ester;Methyl 2-ketobutyrate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 832.4 |
|---|
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H334:Sensitisation, respiratory H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. |
COMPUTED DESCRIPTORS
| Molecular Weight | 116.11 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 116.047344113 g/mol |
| Monoisotopic Mass | 116.047344113 g/mol |
| Topological Polar Surface Area | 43.4 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 106 |
| 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 |