Pentyl Hexanoate
TL;DR: Pentyl Hexanoate (CAS 540-07-8) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl hexanoate
Also Known As: PENTYL HEXANOATE, Amyl hexanoate, n-Amyl caproate, Amyl caproate, Amyl capronate
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 121.0 |
| Melting Point | -47 °C |
| Density | 0.858-0.863 |
| Solubility | soluble in alcohol, propylene glycol, fixed oils: insoluble in glycerol, water |
| Refractive Index | 1.418-1.422 |
Chemical Identifiers
| CAS Number | 540-07-8 |
|---|---|
| SMILES | CCCCCC(=O)OCCCCC |
| InChIKey | WRFZKAGPPQGDDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentyl Hexanoate (CAS 540-07-8), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: pentyl hexanoate.
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
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 186.16 g/mol.
Where can I buy Pentyl Hexanoate?
You can request a quote for Pentyl Hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl Hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl Hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.