Butyl Butyryllactate
TL;DR: Butyl Butyryllactate (CAS 7492-70-8) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-butoxy-1-oxopropan-2-yl) butanoate
Also Known As: Butyl butyryllactate, Butyl butyrolactate, Butyl butyryl lactate, Butyl O-butyryllactate, 1-Butoxy-1-oxopropan-2-yl butyrate
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
| Density | 0.966-0.978 |
| Solubility | slightly soluble in water; soluble in organic solvents, oils, propylene glycol |
| Refractive Index | 1.417-1.427 |
Chemical Identifiers
| CAS Number | 7492-70-8 |
|---|---|
| SMILES | CCCCOC(=O)C(C)OC(=O)CCC |
| InChIKey | NORZZKKLCYMBBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl Butyryllactate (CAS 7492-70-8), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: (1-butoxy-1-oxopropan-2-yl) butanoate.
Chemical Property Profile of Butyl Butyryllactate
Property Insights of Butyl Butyryllactate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl Butyryllactate. With a topological polar surface area (TPSA) of 52.6 Ų, Butyl Butyryllactate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl Butyryllactate has 0 hydrogen bond donor(s) and 4 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 Butyryllactate?
The CAS number of Butyl Butyryllactate is 7492-70-8.
What is the molecular formula of Butyl Butyryllactate?
The molecular formula of Butyl Butyryllactate is C11H20O4.
What is the molecular weight of Butyl Butyryllactate?
The molecular weight of Butyl Butyryllactate is 216.14 g/mol.
Where can I buy Butyl Butyryllactate?
You can request a quote for Butyl Butyryllactate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl Butyryllactate?
Yes, KEHONG BIO provides custom synthesis services for Butyl Butyryllactate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.