Isoamyl formate
TL;DR: Isoamyl formate (CAS 110-45-2) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
甲酸异戊酯
3-methylbutyl formate
Also Known As: Isopentyl formate, ISOAMYL FORMATE, 3-Methylbutyl formate, Isoamyl methanoate, Isopentyl methanoate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.08373 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 116.08373 Da |
| Heavy Atoms | 8 |
| Complexity | 59.0 |
| Melting Point | -93.5 °C |
| Boiling Point | 123.00 to 124.00 °C. @ 760.00 mm Hg |
| Density | 0.881-0.889 |
| Refractive Index | 1.396-1.400 |
| Solubility | 3.5 mg/mL at 25 °C |
| SMILES | CC(C)CCOC=O |
| InChIKey | XKYICAQFSCFURC-UHFFFAOYSA-N |
Product Description
Applications: Isoamyl 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, Isoamyl formate (CAS 110-45-2) has the molecular formula C6H12O2 and a molecular weight of 116.08 g/mol. Reported properties include a density of 0.881-0.889 g/cm³, a solubility: 3.5 mg/mL at 25 °C. Synonyms include Isopentyl formate and ISOAMYL 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 Isoamyl formate
Property Insights of Isoamyl formate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoamyl formate. With a topological polar surface area (TPSA) of 26.3 Ų, Isoamyl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl 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 Isoamyl formate?
The CAS number of Isoamyl formate is 110-45-2.
What is the molecular formula of Isoamyl formate?
The molecular formula of Isoamyl formate is C6H12O2.
What is the molecular weight of Isoamyl formate?
The molecular weight of Isoamyl formate is 116.08373 g/mol.
What are the applications of Isoamyl formate?
Isoamyl 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 Isoamyl formate?
You can request a quote for Isoamyl formate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoamyl formate?
Yes, CoreyChem provides custom synthesis services for Isoamyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.