Amyl butyrate
TL;DR: Amyl butyrate (CAS 540-18-1) 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.
pentyl butanoate
Also Known As: Amyl butyrate, Pentyl butanoate, PENTYL BUTYRATE, n-Amyl butyrate, Amyl butanoate
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13068 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 158.13068 Da |
| Heavy Atoms | 11 |
| Complexity | 99.0 |
| Melting Point | -73.2 °C |
| Boiling Point | 185.00 to 187.00 °C. @ 760.00 mm Hg |
| Density | 0.863-0.866 |
| Flash Point | 135 °F (NFPA, 2010) |
| Refractive Index | 1.409-1.414 |
| Solubility | 0.06 mg/mL at 20 °C |
| SMILES | CCCCCOC(=O)CCC |
| InChIKey | CFNJLPHOBMVMNS-UHFFFAOYSA-N |
Product Description
Applications: Amyl butyrate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Amyl butyrate (CAS 540-18-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Amyl butyrate is a pharmaceutical intermediate identified by CAS number 540-18-1 and the molecular formula C9H18O2 and a molecular weight of 158.13 g/mol. Physically, the compound has a density of 0.863-0.866 g/cm³, a solubility: 0.06 mg/mL at 20 °C. It is also known as Amyl butyrate and Pentyl butanoate.
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 Amyl butyrate
Property Insights of Amyl butyrate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Amyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Amyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Amyl 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 Amyl butyrate?
The CAS number of Amyl butyrate is 540-18-1.
What is the molecular formula of Amyl butyrate?
The molecular formula of Amyl butyrate is C9H18O2.
What is the molecular weight of Amyl butyrate?
The molecular weight of Amyl butyrate is 158.13068 g/mol.
What are the applications of Amyl butyrate?
Amyl butyrate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Amyl butyrate (CAS 540-18-1) with custom...
Where can I buy Amyl butyrate?
You can request a quote for Amyl butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Amyl butyrate?
Yes, CoreyChem provides custom synthesis services for Amyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.