542-05-2
Product Name:
1,3-Acetonedicarboxylic acid
Formula:
C5H6O5
Synonyms:
ß-Ketoglutaric acid, Acetone-1,3-dicarboxylic acid;3-Oxoglutaric acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Merck Index] Off-white hygroscopic powder; [Acros Organics MSDS] |
|---|---|
| Melting Point | 138 °C |
| Chemical Classes | Other Classes -> Organic Acids |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 146.10 g/mol |
|---|---|
| XLogP3 | -0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 146.02152329 g/mol |
| Monoisotopic Mass | 146.02152329 g/mol |
| Topological Polar Surface Area | 91.7 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 153 |
| 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
1,3-Acetonedicarboxylic acid has been applied as a stimuli for reversible time-controlled pH modulation. It is cheaper and safer than commonly used reagents and enables to switch reversibly upon time the pH of a chemical system through its catalyzed decarboxylation. It is produced from citric acid by many industrial processes that differ slightly.