Aconitic Acid
TL;DR: Aconitic Acid (CAS 499-12-7) is a chemical compound with molecular formula C6H6O6 and molecular weight 174.01643 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-1-ene-1,2,3-tricarboxylic acid
Also Known As: ACONITIC ACID, trans-Aconitic acid, Achilleic acid, Equisetic acid, Citridic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6O6 |
| Molecular Weight | 174.01643 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.01643 Da |
| Heavy Atoms | 12 |
| Complexity | 251.0 |
| Melting Point | 194-195 °C (WITH DECOMP) |
| Solubility | 1 G DISSOLVES IN 5.5 ML WATER @ 13 °C, 2 ML @ 25 °C; SOL IN 2 PARTS 88% ALCOHOL @ 12 °C; SLIGHTLY SOL IN ETHER |
| SMILES | C(C(=CC(=O)O)C(=O)O)C(=O)O |
| InChIKey | GTZCVFVGUGFEME-UHFFFAOYSA-N |
Product Description
Applications: Aconitic Acid is used in surfactant and detergent formulations, as well as polymer chemistry and functional materials 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 surfactant raw material supplied by CoreyChem, Aconitic Acid (CAS 499-12-7) has the molecular formula C6H6O6 and a molecular weight of 174.02 g/mol. Reported properties include a solubility: 1 G DISSOLVES IN 5.5 ML WATER @ 13 °C, 2 ML @ 25 °C; SOL IN 2 PARTS 88% ALCOHOL @ 12 °C; SLIGHTLY SOL IN ETHER. Synonyms include ACONITIC ACID and trans-Aconitic 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 Aconitic Acid
Property Insights of Aconitic Acid
The XLogP value of -1.0 indicates that Aconitic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aconitic Acid. Following Lipinski's Rule of Five, Aconitic Acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Aconitic Acid?
The CAS number of Aconitic Acid is 499-12-7.
What is the molecular formula of Aconitic Acid?
The molecular formula of Aconitic Acid is C6H6O6.
What is the molecular weight of Aconitic Acid?
The molecular weight of Aconitic Acid is 174.01643 g/mol.
What are the applications of Aconitic Acid?
Aconitic Acid is used in surfactant and detergent formulations, as well as polymer chemistry and functional materials 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),...
Where can I buy Aconitic Acid?
You can request a quote for Aconitic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aconitic Acid?
Yes, CoreyChem provides custom synthesis services for Aconitic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.