Octyl hexanoate
TL;DR: Octyl hexanoate (CAS 4887-30-3) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl hexanoate
Also Known As: Octyl hexanoate, OCTYL CAPROATE, n-OCTYL CAPROATE, Capryl caproate, Hexanoate octyle
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 4887-30-3 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CCCCC |
| InChIKey | CMNMHJVRZHGAAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl hexanoate (CAS 4887-30-3), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: octyl hexanoate.
Chemical Property Profile of Octyl hexanoate
Property Insights of Octyl hexanoate
The XLogP value of 5.3 indicates that Octyl 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, Octyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl hexanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octyl hexanoate?
The CAS number of Octyl hexanoate is 4887-30-3.
What is the molecular formula of Octyl hexanoate?
The molecular formula of Octyl hexanoate is C14H28O2.
What is the molecular weight of Octyl hexanoate?
The molecular weight of Octyl hexanoate is 228.21 g/mol.
Where can I buy Octyl hexanoate?
You can request a quote for Octyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Octyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.