Itaconic acid
TL;DR: Itaconic acid (CAS 97-65-4) 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-methylidenebutanedioic acid
Also Known As: Itaconic acid, 2-Methylenesuccinic acid, itaconate, 2-methylidenebutanedioic acid, Methylenebutanedioic 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 | 3 |
| Exact Mass | 130.02661 Da |
| Heavy Atoms | 9 |
| Complexity | 158.0 |
| Melting Point | 162-164 °C WITH DECOMP, ALSO REPORTED AS 172 °C |
| Boiling Point | 268 °C, SUBLIMES |
| Density | 1.632 |
| Solubility | 1 G DISSOLVES IN 12 ML WATER, 5 ML ALC; VERY SLIGHTLY SOL IN BENZENE, CHLOROFORM, CARBON DISULFIDE, PETROLEUM ETHER |
| SMILES | C=C(CC(=O)O)C(=O)O |
| InChIKey | LVHBHZANLOWSRM-UHFFFAOYSA-N |
Product Description
Applications: Itaconic acid is used in polymer chemistry and functional materials synthesis, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Itaconic acid (CAS 97-65-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A polymer intermediate supplied by CoreyChem, Itaconic acid (CAS 97-65-4) has the molecular formula C5H6O4 and a molecular weight of 130.03 g/mol. Reported properties include a density of 1.632 g/cm³, a solubility: 1 G DISSOLVES IN 12 ML WATER, 5 ML ALC; VERY SLIGHTLY SOL IN BENZENE, CHLOROFORM, CARBON DISULFIDE, PETROLEUM ETHER. It is also known as Itaconic acid and 2-Methylenesuccinic 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 Itaconic acid
Property Insights of Itaconic acid
The XLogP value of -0.1 indicates that Itaconic 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 Itaconic acid. Following Lipinski's Rule of Five, Itaconic 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 Itaconic acid?
The CAS number of Itaconic acid is 97-65-4.
What is the molecular formula of Itaconic acid?
The molecular formula of Itaconic acid is C5H6O4.
What is the molecular weight of Itaconic acid?
The molecular weight of Itaconic acid is 130.02661 g/mol.
What are the applications of Itaconic acid?
Itaconic acid is used in polymer chemistry and functional materials synthesis, as well as imaging, photographic, and photosensitive formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Itaconic acid (CAS 97-65-4) with custom synthesis available...
Where can I buy Itaconic acid?
You can request a quote for Itaconic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Itaconic acid?
Yes, CoreyChem provides custom synthesis services for Itaconic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.