Octyl caprylate
TL;DR: Octyl caprylate (CAS 2306-88-9) is a chemical compound with molecular formula C16H32O2 and molecular weight 256.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl octanoate
Also Known As: Octyl octanoate, Octyl caprylate, n-Octyl caprylate, Octanoic acid, octyl ester, Octyl octylate
| Molecular Formula | C16H32O2 |
|---|---|
| Molecular Weight | 256.24 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 256.24023 |
| Heavy Atoms | 18 |
| Complexity | 178.0 |
| Melting Point | -18.1 °C |
| Boiling Point | 306.00 to 307.00 °C. @ 760.00 mm Hg |
| Density | 0.8554 |
| Solubility | soluble in alcohol; insoluble in water |
| Refractive Index | 1.4352-1.4925 |
Chemical Identifiers
| CAS Number | 2306-88-9 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CCCCCCC |
| InChIKey | DJNTZVRUYMHBTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl caprylate (CAS 2306-88-9), with molecular formula C16H32O2 and molecular weight 256.24 g/mol. IUPAC: octyl octanoate.
Chemical Property Profile of Octyl caprylate
Property Insights of Octyl caprylate
The XLogP value of 6.5 indicates that Octyl caprylate 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 caprylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl caprylate 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 caprylate?
The CAS number of Octyl caprylate is 2306-88-9.
What is the molecular formula of Octyl caprylate?
The molecular formula of Octyl caprylate is C16H32O2.
What is the molecular weight of Octyl caprylate?
The molecular weight of Octyl caprylate is 256.24 g/mol.
Where can I buy Octyl caprylate?
You can request a quote for Octyl caprylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl caprylate?
Yes, KEHONG BIO provides custom synthesis services for Octyl caprylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.