Isobutyl formate
TL;DR: Isobutyl formate (CAS 542-55-2) 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.
2-methylpropyl formate
Also Known As: ISOBUTYL FORMATE, Tetryl formate, 2-Methylpropyl formate, Isobutyl methanoate, Iso-butyl formate
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H10O2 |
| Molecular Weight | 102.06808 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 102.06808 Da |
| Heavy Atoms | 7 |
| Complexity | 50.0 |
| Melting Point | -95 °C |
| Boiling Point | 97.00 to 99.00 °C. @ 760.00 mm Hg |
| Density | 0.876-0.886 |
| Flash Point | less than 70 °F (NFPA, 2010) |
| Vapor Pressure | 40.1 [mmHg] |
| Refractive Index | 1.383-1.390 |
| Solubility | 10.2 mg/mL at 25 °C |
| SMILES | CC(C)COC=O |
| InChIKey | AVMSWPWPYJVYKY-UHFFFAOYSA-N |
Product Description
Applications: Isobutyl formate 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. 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 heterocyclic building block supplied by CoreyChem, Isobutyl formate (CAS 542-55-2) has the molecular formula C5H10O2 and a molecular weight of 102.07 g/mol. Reported properties include a density of 0.876-0.886 g/cm³, a solubility: 10.2 mg/mL at 25 °C. Synonyms include ISOBUTYL FORMATE and Tetryl formate.
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 Isobutyl formate
Property Insights of Isobutyl formate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl formate. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl formate 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 formate?
The CAS number of Isobutyl formate is 542-55-2.
What is the molecular formula of Isobutyl formate?
The molecular formula of Isobutyl formate is C5H10O2.
What is the molecular weight of Isobutyl formate?
The molecular weight of Isobutyl formate is 102.06808 g/mol.
What are the applications of Isobutyl formate?
Isobutyl formate 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. Available from CoreyChem as both catalog item and...
Where can I buy Isobutyl formate?
You can request a quote for Isobutyl formate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyl formate?
Yes, CoreyChem provides custom synthesis services for Isobutyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.