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] |
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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 |
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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 |
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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.