乙酸烯丙酯
TL;DR: 乙酸烯丙酯 (CAS 591-87-7) is a chemical compound with molecular formula C5H8O2 and molecular weight 100.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酸烯丙酯
prop-2-enyl acetate
Also Known As: Allyl acetate, 3-Acetoxypropene, 3-Acetoxy-1-propene, 2-Propenyl acetate, allylacetate
| Molecular Formula | C5H8O2 |
|---|---|
| Molecular Weight | 100.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 100.05243 |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
| Melting Point | Freezing point: -96 °C |
| Boiling Point | 103.5 °C |
| Density | 0.9275 g/cu cm at 20 °C |
| Solubility | Soluble in acetone; miscible in ethanol and ethyl ether. |
| Flash Point | 22.2 °C (NFPA, 2010) |
| Vapor Pressure | 27.2 [mmHg] |
| Refractive Index | 1.4049 AT 20 °C |
Chemical Identifiers
| CAS Number | 591-87-7 |
|---|---|
| SMILES | CC(=O)OCC=C |
| InChIKey | FWZUNOYOVVKUNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酸烯丙酯 (CAS 591-87-7), with molecular formula C5H8O2 and molecular weight 100.05 g/mol. IUPAC: prop-2-enyl acetate.
Chemical Property Profile of 乙酸烯丙酯
Property Insights of 乙酸烯丙酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酸烯丙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 乙酸烯丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酸烯丙酯 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 乙酸烯丙酯?
The CAS number of 乙酸烯丙酯 is 591-87-7.
What is the molecular formula of 乙酸烯丙酯?
The molecular formula of 乙酸烯丙酯 is C5H8O2.
What is the molecular weight of 乙酸烯丙酯?
The molecular weight of 乙酸烯丙酯 is 100.05 g/mol.
Where can I buy 乙酸烯丙酯?
You can request a quote for 乙酸烯丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸烯丙酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酸烯丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.