Isobutyl propionate
TL;DR: Isobutyl propionate (CAS 540-42-1) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpropyl propanoate
Also Known As: Isobutyl propionate, Isobutyl propanoate, 2-METHYLPROPYL PROPANOATE, 2-Methylpropyl propionate, Propionic Acid Isobutyl Ester
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.09938 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.09938 Da |
| Heavy Atoms | 9 |
| Complexity | 86.0 |
| Melting Point | -71.4 °C |
| Boiling Point | 66.00 to 67.00 °C. @ 60.00 mm Hg |
| Density | 0.861-0.867 |
| Refractive Index | 1.395-1.400 |
| Solubility | 1700 mg/L @ 25 °C (exp) |
| SMILES | CCC(=O)OCC(C)C |
| InChIKey | FZXRXKLUIMKDEL-UHFFFAOYSA-N |
Product Description
Applications: Isobutyl propionate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. 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).
Isobutyl propionate (CAS 540-42-1) is a heterocyclic building block with the molecular formula C7H14O2 and a molecular weight of 130.1 g/mol. Key physical properties include a density of 0.861-0.867 g/cm³, a solubility: 1700 mg/L @ 25 °C (exp). Synonyms include Isobutyl propionate and Isobutyl propanoate.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Isobutyl propionate
Property Insights of Isobutyl propionate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl propionate. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl propionate 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 Isobutyl propionate?
The CAS number of Isobutyl propionate is 540-42-1.
What is the molecular formula of Isobutyl propionate?
The molecular formula of Isobutyl propionate is C7H14O2.
What is the molecular weight of Isobutyl propionate?
The molecular weight of Isobutyl propionate is 130.09938 g/mol.
What are the applications of Isobutyl propionate?
Isobutyl propionate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy Isobutyl propionate?
You can request a quote for Isobutyl propionate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyl propionate?
Yes, CoreyChem provides custom synthesis services for Isobutyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.