1,2-Epoxybutane
TL;DR: 1,2-Epoxybutane (CAS 106-88-7) is a chemical compound with molecular formula C4H8O and molecular weight 72.05752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethyloxirane
Also Known As: 1,2-Epoxybutane, 2-Ethyloxirane, Ethyloxirane, 1,2-Butylene oxide, Oxirane, ethyl-
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8O |
| Molecular Weight | 72.05752 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 72.05752 Da |
| Heavy Atoms | 5 |
| Complexity | 34.0 |
| Melting Point | -76 °F (NTP, 1992) |
| Boiling Point | 145 °F at 760 mmHg (NTP, 1992) |
| Density | 0.826 at 77 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 10 °F (NTP, 1992) |
| Vapor Pressure | 160 mmHg at 55 °F ; 215 mmHg at 70.0 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.3851 at 20 °C |
| Solubility | greater than or equal to 100 mg/mL at 63 °F (NTP, 1992) |
| SMILES | CCC1CO1 |
| InChIKey | RBACIKXCRWGCBB-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Epoxybutane
Property Insights of 1,2-Epoxybutane
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Epoxybutane. With a topological polar surface area (TPSA) of 12.5 Ų, 1,2-Epoxybutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Epoxybutane has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2-Epoxybutane?
The CAS number of 1,2-Epoxybutane is 106-88-7.
What is the molecular formula of 1,2-Epoxybutane?
The molecular formula of 1,2-Epoxybutane is C4H8O.
What is the molecular weight of 1,2-Epoxybutane?
The molecular weight of 1,2-Epoxybutane is 72.05752 g/mol.
Where can I buy 1,2-Epoxybutane?
You can request a quote for 1,2-Epoxybutane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Epoxybutane?
Yes, CoreyChem provides custom synthesis services for 1,2-Epoxybutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.