2-Propanol, 1-ethoxy-, 2-acetate
TL;DR: 2-Propanol, 1-ethoxy-, 2-acetate (CAS 98516-30-4) 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.
1-ethoxypropan-2-yl acetate
Also Known As: 1-ethoxypropan-2-yl acetate, 2-acetoxy-1-ethoxypropane, 1-ETHOXY-2-PROPYL ACETATE, PGMEA, 1-ethoxy-2-propanol acetate
| Molecular Formula | C7H14O3 |
|---|---|
| Molecular Weight | 146.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.0943 |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
| Melting Point | -89 °C |
| Boiling Point | 160 °C |
| Density | Relative density (water = 1): 0.98 |
| Solubility | Solubility in water, g/100ml at 20 °C: 9.5 |
| Flash Point | 53 °C c.c. |
| Vapor Pressure | 1.7 [mmHg] |
Chemical Identifiers
| CAS Number | 98516-30-4 |
|---|---|
| SMILES | CCOCC(C)OC(=O)C |
| InChIKey | LIPRQQHINVWJCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propanol, 1-ethoxy-, 2-acetate (CAS 98516-30-4), with molecular formula C7H14O3 and molecular weight 146.09 g/mol. IUPAC: 1-ethoxypropan-2-yl acetate.
Chemical Property Profile of 2-Propanol, 1-ethoxy-, 2-acetate
Property Insights of 2-Propanol, 1-ethoxy-, 2-acetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanol, 1-ethoxy-, 2-acetate. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Propanol, 1-ethoxy-, 2-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanol, 1-ethoxy-, 2-acetate 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 2-Propanol, 1-ethoxy-, 2-acetate?
The CAS number of 2-Propanol, 1-ethoxy-, 2-acetate is 98516-30-4.
What is the molecular formula of 2-Propanol, 1-ethoxy-, 2-acetate?
The molecular formula of 2-Propanol, 1-ethoxy-, 2-acetate is C7H14O3.
What is the molecular weight of 2-Propanol, 1-ethoxy-, 2-acetate?
The molecular weight of 2-Propanol, 1-ethoxy-, 2-acetate is 146.09 g/mol.
Where can I buy 2-Propanol, 1-ethoxy-, 2-acetate?
You can request a quote for 2-Propanol, 1-ethoxy-, 2-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanol, 1-ethoxy-, 2-acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanol, 1-ethoxy-, 2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.