丙酸甲酯
TL;DR: 丙酸甲酯 (CAS 554-12-1) is a chemical compound with molecular formula C4H8O2 and molecular weight 88.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙酸甲酯
methyl propanoate
Also Known As: METHYL PROPIONATE, Methyl propanoate, Methyl propylate, Methylpropionate, Propanoic acid, methyl ester
| Molecular Formula | C4H8O2 |
|---|---|
| Molecular Weight | 88.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 88.05243 |
| Heavy Atoms | 6 |
| Complexity | 49.0 |
| Melting Point | -87.2 °C |
| Boiling Point | 79.7 °C at 760 mmHg |
| Density | 0.937 at 3.9 °C - Less dense than water; will float |
| Solubility | 50 to 100 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | -2.2 °C |
| Vapor Pressure | 40 mmHg at 11.1 °C |
| Refractive Index | 1.3775 @ 20 °C |
Chemical Identifiers
| CAS Number | 554-12-1 |
|---|---|
| SMILES | CCC(=O)OC |
| InChIKey | RJUFJBKOKNCXHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙酸甲酯 (CAS 554-12-1), with molecular formula C4H8O2 and molecular weight 88.05 g/mol. IUPAC: methyl propanoate.
Chemical Property Profile of 丙酸甲酯
Property Insights of 丙酸甲酯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙酸甲酯. With a topological polar surface area (TPSA) of 26.3 Ų, 丙酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙酸甲酯 has 0 hydrogen bond donor(s) and 2 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 丙酸甲酯?
The CAS number of 丙酸甲酯 is 554-12-1.
What is the molecular formula of 丙酸甲酯?
The molecular formula of 丙酸甲酯 is C4H8O2.
What is the molecular weight of 丙酸甲酯?
The molecular weight of 丙酸甲酯 is 88.05 g/mol.
Where can I buy 丙酸甲酯?
You can request a quote for 丙酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 丙酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.