Isoamyl butyrate
TL;DR: Isoamyl butyrate (CAS 106-27-4) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylbutyl butanoate
Also Known As: Isoamyl butyrate, Isopentyl butyrate, 3-Methylbutyl butanoate, Isoamyl butanoate, ISOPENTYL BUTANOATE
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13068 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 Da |
| Heavy Atoms | 11 |
| Complexity | 108.0 |
| Melting Point | -73.2 °C |
| Boiling Point | 179.00 °C. @ 760.00 mm Hg |
| Density | 0.861 - 0.866 |
| Refractive Index | 1.409 - 1.414 |
| Solubility | 118 mg/L @ 25 °C (exp) |
| SMILES | CCCC(=O)OCCC(C)C |
| InChIKey | PQLMXFQTAMDXIZ-UHFFFAOYSA-N |
Product Description
Applications: Isoamyl butyrate is used in complex organic molecule assembly across discovery and process chemistry, 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).
Isoamyl butyrate is a organic building block identified by CAS number 106-27-4 and the molecular formula C9H18O2 and a molecular weight of 158.13 g/mol. Physically, the compound has a density of 0.861 - 0.866 g/cm³, a solubility: 118 mg/L @ 25 °C (exp). Synonyms include Isoamyl butyrate and Isopentyl butyrate.
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 butyrate
Property Insights of Isoamyl butyrate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoamyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Isoamyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl butyrate 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 butyrate?
The CAS number of Isoamyl butyrate is 106-27-4.
What is the molecular formula of Isoamyl butyrate?
The molecular formula of Isoamyl butyrate is C9H18O2.
What is the molecular weight of Isoamyl butyrate?
The molecular weight of Isoamyl butyrate is 158.13068 g/mol.
What are the applications of Isoamyl butyrate?
Isoamyl butyrate is used in complex organic molecule assembly across discovery and process chemistry, 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 butyrate?
You can request a quote for Isoamyl butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoamyl butyrate?
Yes, CoreyChem provides custom synthesis services for Isoamyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.