Methylglyoxal
TL;DR: Methylglyoxal (CAS 78-98-8) is a chemical compound with molecular formula C3H4O2 and molecular weight 72.021126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-oxopropanal
Also Known As: methylglyoxal, pyruvaldehyde, 2-Oxopropanal, pyruvic aldehyde, acetylformaldehyde
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H4O2 |
| Molecular Weight | 72.021126 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 72.021126 Da |
| Heavy Atoms | 5 |
| Complexity | 55.0 |
| Melting Point | < 25 °C |
| Boiling Point | 162 °F at 760 mmHg (NTP, 1992) |
| Density | 1.06 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 26.7 [mmHg] |
| Refractive Index | Index of refraction: 1.4002 at 17.5 °C/D |
| Solubility | greater than or equal to 100 mg/mL at 63 °F (NTP, 1992) |
| SMILES | CC(=O)C=O |
| InChIKey | AIJULSRZWUXGPQ-UHFFFAOYSA-N |
Product Description
Applications: Methylglyoxal is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Methylglyoxal is a pharmaceutical intermediate identified by CAS number 78-98-8 and the molecular formula C3H4O2 and a molecular weight of 72.02 g/mol. Physically, the compound has a density of 1.06 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: greater than or equal to 100 mg/mL at 63 °F (NTP, 1992). Synonyms include methylglyoxal and pyruvaldehyde.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Methylglyoxal
Property Insights of Methylglyoxal
The XLogP value of -0.4 indicates that Methylglyoxal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.1 Ų, Methylglyoxal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylglyoxal has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methylglyoxal?
The CAS number of Methylglyoxal is 78-98-8.
What is the molecular formula of Methylglyoxal?
The molecular formula of Methylglyoxal is C3H4O2.
What is the molecular weight of Methylglyoxal?
The molecular weight of Methylglyoxal is 72.021126 g/mol.
What are the applications of Methylglyoxal?
Methylglyoxal is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Methylglyoxal?
You can request a quote for Methylglyoxal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methylglyoxal?
Yes, CoreyChem provides custom synthesis services for Methylglyoxal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.