Levulinic Acid
TL;DR: Levulinic Acid (CAS 123-76-2) is a chemical compound with molecular formula C5H8O3 and molecular weight 116.04734 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxopentanoic acid
Also Known As: LEVULINIC ACID, 4-Oxopentanoic acid, Laevulinic acid, Levulic acid, 4-Oxovaleric acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8O3 |
| Molecular Weight | 116.04734 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.04734 Da |
| Heavy Atoms | 8 |
| Complexity | 106.0 |
| Purity | ≥97% |
| Melting Point | 33 |
| Boiling Point | 245.5 |
| Density | 1.136-1.147 (20°) |
| Refractive Index | 1.439-1.445 |
| Solubility | soluble in water, alcohol, and oil |
| SMILES | CC(=O)CCC(=O)O |
| InChIKey | JOOXCMJARBKPKM-UHFFFAOYSA-N |
Product Description
Applications: Levulinic Acid 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. Product profile: commercial lots are supplied at ≥97%. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Levulinic Acid (CAS 123-76-2) is a pharmaceutical intermediate with the molecular formula C5H8O3 and a molecular weight of 116.05 g/mol. Key physical properties include a density of 1.136-1.147 (20°) g/cm³, a solubility: soluble in water, alcohol, and oil. Synonyms include LEVULINIC ACID and 4-Oxopentanoic acid.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Safety Information
H302, H317, H318
Chemical Property Profile of Levulinic Acid
Property Insights of Levulinic Acid
The XLogP value of -0.5 indicates that Levulinic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.4 Ų, Levulinic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Levulinic Acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Levulinic Acid?
The CAS number of Levulinic Acid is 123-76-2.
What is the molecular formula of Levulinic Acid?
The molecular formula of Levulinic Acid is C5H8O3.
What is the molecular weight of Levulinic Acid?
The molecular weight of Levulinic Acid is 116.04734 g/mol.
What are the applications of Levulinic Acid?
Levulinic Acid 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. Product profile: commercial lots are supplied at ≥97%....
Where can I buy Levulinic Acid?
You can request a quote for Levulinic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Levulinic Acid?
Yes, CoreyChem provides custom synthesis services for Levulinic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.