Isopropenyl acetate
TL;DR: Isopropenyl acetate (CAS 108-22-5) is a chemical compound with molecular formula C5H8O2 and molecular weight 100.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-1-en-2-yl acetate
Also Known As: Isopropenyl acetate, 2-Acetoxypropene, prop-1-en-2-yl acetate, 1-Methylvinyl acetate, 2-Acetoxypropylene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8O2 |
| Molecular Weight | 100.05243 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 100.05243 Da |
| Heavy Atoms | 7 |
| Complexity | 94.0 |
| Melting Point | -92.9 °C |
| Boiling Point | 97 °C |
| Density | 0.9090 g/cu cm at 20 °C |
| Flash Point | 60 °F (NFPA, 2010) |
| Vapor Pressure | 45.2 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.4001 AT 20 °C/D |
| Solubility | Soluble in ethanol and acetone, very soluble in ethyl ether. |
| SMILES | CC(=C)OC(=O)C |
| InChIKey | HETCEOQFVDFGSY-UHFFFAOYSA-N |
Product Description
Applications: Isopropenyl acetate is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A polymer intermediate supplied by CoreyChem, Isopropenyl acetate (CAS 108-22-5) has the molecular formula C5H8O2 and a molecular weight of 100.05 g/mol. Reported properties include a density of 0.9090 g/cu cm at 20 °C g/cm³, a solubility: Soluble in ethanol and acetone, very soluble in ethyl ether. Synonyms include Isopropenyl acetate and 2-Acetoxypropene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 100.05243 g/mol.
What are the applications of Isopropenyl acetate?
Isopropenyl acetate is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Isopropenyl acetate?
You can request a quote for Isopropenyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isopropenyl acetate?
Yes, CoreyChem provides custom synthesis services for Isopropenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.