Pentyl Hexanoate
TL;DR: Pentyl Hexanoate (CAS 540-07-8) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pentyl hexanoate
Also Known As: PENTYL HEXANOATE, Amyl hexanoate, n-Amyl caproate, Amyl caproate, Amyl capronate
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H22O2 |
| Molecular Weight | 186.16199 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 186.16199 Da |
| Heavy Atoms | 13 |
| Complexity | 121.0 |
| Melting Point | -47 °C |
| Density | 0.858-0.863 |
| Refractive Index | 1.418-1.422 |
| Solubility | soluble in alcohol, propylene glycol, fixed oils: insoluble in glycerol, water |
| SMILES | CCCCCC(=O)OCCCCC |
| InChIKey | WRFZKAGPPQGDDQ-UHFFFAOYSA-N |
Product Description
Applications: Pentyl Hexanoate 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. 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 pharmaceutical intermediate supplied by CoreyChem, Pentyl Hexanoate (CAS 540-07-8) has the molecular formula C11H22O2 and a molecular weight of 186.16 g/mol. Reported properties include a density of 0.858-0.863 g/cm³, a solubility: soluble in alcohol, propylene glycol, fixed oils: insoluble in glycerol, water. Synonyms include PENTYL HEXANOATE and Amyl hexanoate.
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 Pentyl Hexanoate
Property Insights of Pentyl Hexanoate
The XLogP value of 3.8 indicates that Pentyl Hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentyl Hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl Hexanoate 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 Pentyl Hexanoate?
The CAS number of Pentyl Hexanoate is 540-07-8.
What is the molecular formula of Pentyl Hexanoate?
The molecular formula of Pentyl Hexanoate is C11H22O2.
What is the molecular weight of Pentyl Hexanoate?
The molecular weight of Pentyl Hexanoate is 186.16199 g/mol.
What are the applications of Pentyl Hexanoate?
Pentyl Hexanoate 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. Available from CoreyChem as both catalog item and...
Where can I buy Pentyl Hexanoate?
You can request a quote for Pentyl Hexanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentyl Hexanoate?
Yes, CoreyChem provides custom synthesis services for Pentyl Hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.