Methylbutenedioic acid
TL;DR: Methylbutenedioic acid (CAS 498-24-8) is a chemical compound with molecular formula C5H6O4 and molecular weight 130.02661 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylbut-2-enedioic acid
Also Known As: Citraconic acid, mesaconic acid, mesaconate, Mesaconicacid, Methylfumaric acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H6O4 |
| Molecular Weight | 130.02661 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 130.02661 Da |
| Heavy Atoms | 9 |
| Complexity | 168.0 |
| SMILES | CC(=CC(=O)O)C(=O)O |
| InChIKey | HNEGQIOMVPPMNR-UHFFFAOYSA-N |
Product Description
Applications: Methylbutenedioic acid is used in polymer chemistry and functional materials synthesis, as well as surfactant and detergent formulations. 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).
Methylbutenedioic acid (CAS 498-24-8) is a polymer intermediate with the molecular formula C5H6O4 and a molecular weight of 130.03 g/mol. Synonyms include Citraconic acid and mesaconic acid.
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 Methylbutenedioic acid
Property Insights of Methylbutenedioic acid
The XLogP value of -0.1 indicates that Methylbutenedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylbutenedioic acid. Following Lipinski's Rule of Five, Methylbutenedioic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methylbutenedioic acid?
The CAS number of Methylbutenedioic acid is 498-24-8.
What is the molecular formula of Methylbutenedioic acid?
The molecular formula of Methylbutenedioic acid is C5H6O4.
What is the molecular weight of Methylbutenedioic acid?
The molecular weight of Methylbutenedioic acid is 130.02661 g/mol.
What are the applications of Methylbutenedioic acid?
Methylbutenedioic acid is used in polymer chemistry and functional materials synthesis, as well as surfactant and detergent formulations. 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...
Where can I buy Methylbutenedioic acid?
You can request a quote for Methylbutenedioic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methylbutenedioic acid?
Yes, CoreyChem provides custom synthesis services for Methylbutenedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.