600-18-0
Product Name:
2-Oxobutyric acid
Formula:
C4H6O3
Synonyms:
α-Ketobutyric acid;2-Ketobutyric acid;2-Oxobutanoic acid;2-Oxobutyric acid;Propionylformic acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Colorless hygroscopic paste; mp = 32-34 deg C; [Acros Organics MSDS] |
|---|---|
| Melting Point | 33 °C |
| Solubility | 119 mg/mL |
| Density | 1.200 (d20/4) |
| Kovats Retention Index | 847.7 |
| Chemical Classes | Biological Agents -> Amino Acids and Derivatives |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
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. 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 | 102.09 g/mol |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 102.031694049 g/mol |
| Monoisotopic Mass | 102.031694049 g/mol |
| Topological Polar Surface Area | 54.4 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 95.1 |
| 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
2-oxobutanoic acid is a 2-oxo monocarboxylic acid that is the 2-oxo derivative of butanoic acid. It is a 2-oxo monocarboxylic acid and a short-chain fatty acid. It is functionally related to a butyric acid. It is a conjugate acid of a 2-oxobutanoate.