乳酸正丁酯
TL;DR: 乳酸正丁酯 (CAS 138-22-7) is a chemical compound with molecular formula C7H14O3 and molecular weight 146.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乳酸正丁酯
butyl 2-hydroxypropanoate
Also Known As: BUTYL LACTATE, Butyl 2-hydroxypropanoate, n-Butyl lactate, Butyllactate, Butyl L-lactate
| Molecular Formula | C7H14O3 |
|---|---|
| Molecular Weight | 146.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.0943 |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
| Melting Point | -42.8 °C |
| Boiling Point | 187.8 °C at 760 mmHg |
| Density | 0.98 - Less dense than water; will float |
| Solubility | Slight (NIOSH, 2024) |
| Flash Point | 71.1 °C |
| Vapor Pressure | 0.4 mmHg |
| Refractive Index | 1.418-1.424 |
Chemical Identifiers
| CAS Number | 138-22-7 |
|---|---|
| SMILES | CCCCOC(=O)C(C)O |
| InChIKey | MRABAEUHTLLEML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乳酸正丁酯 (CAS 138-22-7), with molecular formula C7H14O3 and molecular weight 146.09 g/mol. IUPAC: butyl 2-hydroxypropanoate.
Chemical Property Profile of 乳酸正丁酯
Property Insights of 乳酸正丁酯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乳酸正丁酯. With a topological polar surface area (TPSA) of 46.5 Ų, 乳酸正丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乳酸正丁酯 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
Frequently Asked Questions
What is the CAS number of 乳酸正丁酯?
The CAS number of 乳酸正丁酯 is 138-22-7.
What is the molecular formula of 乳酸正丁酯?
The molecular formula of 乳酸正丁酯 is C7H14O3.
What is the molecular weight of 乳酸正丁酯?
The molecular weight of 乳酸正丁酯 is 146.09 g/mol.
Where can I buy 乳酸正丁酯?
You can request a quote for 乳酸正丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乳酸正丁酯?
Yes, KEHONG BIO provides custom synthesis services for 乳酸正丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.