Butyl levulinate
TL;DR: Butyl levulinate (CAS 2052-15-5) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-oxopentanoate
Also Known As: Butyl levulinate, Butyl 4-oxopentanoate, n-Butyl levulinate, Butyl laevulinate, n-Butyl laevulinate
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
| Boiling Point | 106.00 to 108.00 °C. @ 5.50 mm Hg |
| Density | 0.967-0.977 |
| Solubility | slightly soluble in water; soluble in oil and alcohol |
| Refractive Index | 1.423-1.433 |
Chemical Identifiers
| CAS Number | 2052-15-5 |
|---|---|
| SMILES | CCCCOC(=O)CCC(=O)C |
| InChIKey | ISBWNEKJSSLXOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl levulinate (CAS 2052-15-5), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: butyl 4-oxopentanoate.
Chemical Property Profile of Butyl levulinate
Property Insights of Butyl levulinate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl levulinate. With a topological polar surface area (TPSA) of 43.4 Ų, Butyl levulinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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
Frequently Asked Questions
What is the CAS number of Butyl levulinate?
The CAS number of Butyl levulinate is 2052-15-5.
What is the molecular formula of Butyl levulinate?
The molecular formula of Butyl levulinate is C9H16O3.
What is the molecular weight of Butyl levulinate?
The molecular weight of Butyl levulinate is 172.11 g/mol.
Where can I buy Butyl levulinate?
You can request a quote for Butyl levulinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl levulinate?
Yes, KEHONG BIO provides custom synthesis services for Butyl levulinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.