Isopropyl Acetate
TL;DR: Isopropyl Acetate (CAS 108-21-4) is a chemical compound with molecular formula C5H10O2 and molecular weight 102.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl acetate
Also Known As: ISOPROPYL ACETATE, 2-Propyl acetate, propan-2-yl acetate, 2-Acetoxypropane, Isopropylacetat
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H10O2 |
| Molecular Weight | 102.06808 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 102.06808 Da |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
| Melting Point | -100.1 °F (NTP, 1992) |
| Boiling Point | 190 to 196 °F at 743.3 mmHg (NTP, 1992) |
| Density | 0.874 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 36 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at -36.9 °F ; 100 mmHg at 96.3 °F; 760 mmHg at 192.2 °F (NTP, 1992) |
| Refractive Index | INDEX OF REFRACTION: 1.3773 @ 20 °C; SADTLER REFERENCE NUMBER: 1473 (IR, PRISM); 99 (UV) |
| Solubility | 1 to 10 mg/mL at 68 °F (NTP, 1992) |
| SMILES | CC(C)OC(=O)C |
| InChIKey | JMMWKPVZQRWMSS-UHFFFAOYSA-N |
Product Description
Applications: Isopropyl Acetate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isopropyl Acetate (CAS 108-21-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Isopropyl Acetate is a heterocyclic building block identified by CAS number 108-21-4 and the molecular formula C5H10O2 and a molecular weight of 102.07 g/mol. Physically, the compound has a density of 0.874 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: 1 to 10 mg/mL at 68 °F (NTP, 1992). It is also known as ISOPROPYL ACETATE and 2-Propyl acetate.
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 Isopropyl Acetate
Property Insights of Isopropyl Acetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl Acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 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 Isopropyl Acetate?
The CAS number of Isopropyl Acetate is 108-21-4.
What is the molecular formula of Isopropyl Acetate?
The molecular formula of Isopropyl Acetate is C5H10O2.
What is the molecular weight of Isopropyl Acetate?
The molecular weight of Isopropyl Acetate is 102.06808 g/mol.
What are the applications of Isopropyl Acetate?
Isopropyl Acetate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isopropyl Acetate (CAS 108-21-4) with...
Where can I buy Isopropyl Acetate?
You can request a quote for Isopropyl Acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isopropyl Acetate?
Yes, CoreyChem provides custom synthesis services for Isopropyl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.