Ethyl levulinate
TL;DR: Ethyl levulinate (CAS 539-88-8) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-oxopentanoate
Also Known As: ETHYL LEVULINATE, Ethyl 4-oxopentanoate, Ethyl levulate, Ethyl laevulinate, Ethyl 4-ketovalerate
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.07864 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.07864 Da |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
| Melting Point | < 25 °C |
| Boiling Point | 93.00 to 94.00 °C. @ 18.00 mm Hg |
| Density | 1.009-1.014 |
| Refractive Index | 1.420-1.425 |
| Solubility | soluble in water and alcohol |
| SMILES | CCOC(=O)CCC(=O)C |
| InChIKey | GMEONFUTDYJSNV-UHFFFAOYSA-N |
Product Description
Applications: Ethyl levulinate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl levulinate (CAS 539-88-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Ethyl levulinate (CAS 539-88-8) has the molecular formula C7H12O3 and a molecular weight of 144.08 g/mol. Reported properties include a density of 1.009-1.014 g/cm³, a solubility: soluble in water and alcohol. It is also known as ETHYL LEVULINATE and Ethyl 4-oxopentanoate.
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 Ethyl levulinate
Property Insights of Ethyl levulinate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl levulinate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl levulinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl levulinate has 0 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 Ethyl levulinate?
The CAS number of Ethyl levulinate is 539-88-8.
What is the molecular formula of Ethyl levulinate?
The molecular formula of Ethyl levulinate is C7H12O3.
What is the molecular weight of Ethyl levulinate?
The molecular weight of Ethyl levulinate is 144.07864 g/mol.
What are the applications of Ethyl levulinate?
Ethyl levulinate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Ethyl levulinate (CAS 539-88-8) with...
Where can I buy Ethyl levulinate?
You can request a quote for Ethyl levulinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl levulinate?
Yes, CoreyChem provides custom synthesis services for Ethyl levulinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.