2-Methylcitric acid
TL;DR: 2-Methylcitric acid (CAS 6061-96-7) is a chemical compound with molecular formula C7H10O7 and molecular weight 206.04265 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxybutane-1,2,3-tricarboxylic acid
Also Known As: 2-Methylcitric acid, methylcitric acid, 2-methylcitrate, 2-Methylcitricacid, 2-hydroxybutane-1,2,3-tricarboxylic acid
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H10O7 |
| Molecular Weight | 206.04265 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.04265 Da |
| Heavy Atoms | 14 |
| Complexity | 271.0 |
| SMILES | CC(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | YNOXCRMFGMSKIJ-UHFFFAOYSA-N |
Product Description
Applications: 2-Methylcitric acid is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. 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).
A pharmaceutical intermediate supplied by CoreyChem, 2-Methylcitric acid (CAS 6061-96-7) has the molecular formula C7H10O7 and a molecular weight of 206.04 g/mol. Synonyms include 2-Methylcitric acid and methylcitric 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 2-Methylcitric acid
Property Insights of 2-Methylcitric acid
The XLogP value of -1.4 indicates that 2-Methylcitric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methylcitric acid. Following Lipinski's Rule of Five, 2-Methylcitric acid has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Methylcitric acid?
The CAS number of 2-Methylcitric acid is 6061-96-7.
What is the molecular formula of 2-Methylcitric acid?
The molecular formula of 2-Methylcitric acid is C7H10O7.
What is the molecular weight of 2-Methylcitric acid?
The molecular weight of 2-Methylcitric acid is 206.04265 g/mol.
What are the applications of 2-Methylcitric acid?
2-Methylcitric acid is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 2-Methylcitric acid?
You can request a quote for 2-Methylcitric acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methylcitric acid?
Yes, CoreyChem provides custom synthesis services for 2-Methylcitric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.