1,2-丙二醇甲醚乙酸酯
TL;DR: 1,2-丙二醇甲醚乙酸酯 (CAS 108-65-6) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-丙二醇甲醚乙酸酯
1-methoxypropan-2-yl acetate
Also Known As: 1-Methoxy-2-propyl acetate, 1-methoxypropan-2-yl acetate, PGMEA, 2-Acetoxy-1-methoxypropane, 1-Methoxy-2-acetoxypropane
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
| Melting Point | -66 °C |
| Boiling Point | 150.0 °C at 760 mmHg |
| Density | 0.969 at 20.0 °C - Less dense than water; will float |
| Solubility | In water, 1.98X10+5 mg/L at 25 °C |
| Flash Point | 45.6 °C |
| Vapor Pressure | 3.92 [mmHg] |
Chemical Identifiers
| CAS Number | 108-65-6 |
|---|---|
| SMILES | CC(COC)OC(=O)C |
| InChIKey | LLHKCFNBLRBOGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-丙二醇甲醚乙酸酯 (CAS 108-65-6), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: 1-methoxypropan-2-yl acetate.
Chemical Property Profile of 1,2-丙二醇甲醚乙酸酯
Property Insights of 1,2-丙二醇甲醚乙酸酯
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-丙二醇甲醚乙酸酯. With a topological polar surface area (TPSA) of 35.5 Ų, 1,2-丙二醇甲醚乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-丙二醇甲醚乙酸酯 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 1,2-丙二醇甲醚乙酸酯?
The CAS number of 1,2-丙二醇甲醚乙酸酯 is 108-65-6.
What is the molecular formula of 1,2-丙二醇甲醚乙酸酯?
The molecular formula of 1,2-丙二醇甲醚乙酸酯 is C6H12O3.
What is the molecular weight of 1,2-丙二醇甲醚乙酸酯?
The molecular weight of 1,2-丙二醇甲醚乙酸酯 is 132.08 g/mol.
Where can I buy 1,2-丙二醇甲醚乙酸酯?
You can request a quote for 1,2-丙二醇甲醚乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-丙二醇甲醚乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1,2-丙二醇甲醚乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.