Isopropenyl acetate
TL;DR: Isopropenyl acetate (CAS 108-22-5) 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.
prop-1-en-2-yl acetate
Also Known As: Isopropenyl acetate, 2-Acetoxypropene, prop-1-en-2-yl acetate, 1-Methylvinyl acetate, 2-Acetoxypropylene
| 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 | 2 |
| Exact Mass | 100.05243 |
| Heavy Atoms | 7 |
| Complexity | 94.0 |
| Melting Point | -92.9 °C |
| Boiling Point | 97 °C |
| Density | 0.9090 g/cu cm at 20 °C |
| Solubility | Soluble in ethanol and acetone, very soluble in ethyl ether. |
| Flash Point | 15.6 °C (NFPA, 2010) |
| Vapor Pressure | 45.2 [mmHg] |
| Refractive Index | 1.4001 AT 20 °C |
Chemical Identifiers
| CAS Number | 108-22-5 |
|---|---|
| SMILES | CC(=C)OC(=O)C |
| InChIKey | HETCEOQFVDFGSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropenyl acetate (CAS 108-22-5), with molecular formula C5H8O2 and molecular weight 100.05 g/mol. IUPAC: prop-1-en-2-yl acetate.
Chemical Property Profile of Isopropenyl acetate
Property Insights of Isopropenyl acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropenyl acetate 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 Isopropenyl acetate?
The CAS number of Isopropenyl acetate is 108-22-5.
What is the molecular formula of Isopropenyl acetate?
The molecular formula of Isopropenyl acetate is C5H8O2.
What is the molecular weight of Isopropenyl acetate?
The molecular weight of Isopropenyl acetate is 100.05 g/mol.
Where can I buy Isopropenyl acetate?
You can request a quote for Isopropenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Isopropenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.