Hexyl nonanoate
TL;DR: Hexyl nonanoate (CAS 6561-39-3) is a chemical compound with molecular formula C15H30O2 and molecular weight 242.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl nonanoate
Also Known As: hexyl nonanoate, Hexyl nonan-1-oate, heptoxy-benzene, HEXYL PELARGONATE, hexylnonan-1-oate
| Molecular Formula | C15H30O2 |
|---|---|
| Molecular Weight | 242.22 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 242.22458 |
| Heavy Atoms | 17 |
| Complexity | 166.0 |
| Boiling Point | 291.00 to 292.00 °C. @ 760.00 mm Hg |
| Density | 0.858-0.863 (20°) |
| Solubility | Insoluble in water; soluble in non-polar solvents |
| Refractive Index | 1.431-1.436 |
Chemical Identifiers
| CAS Number | 6561-39-3 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCCCCCC |
| InChIKey | GPHBCFMWKGZPRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl nonanoate (CAS 6561-39-3), with molecular formula C15H30O2 and molecular weight 242.22 g/mol. IUPAC: hexyl nonanoate.
Chemical Property Profile of Hexyl nonanoate
Property Insights of Hexyl nonanoate
The XLogP value of 6.0 indicates that Hexyl nonanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl nonanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl nonanoate 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 Hexyl nonanoate?
The CAS number of Hexyl nonanoate is 6561-39-3.
What is the molecular formula of Hexyl nonanoate?
The molecular formula of Hexyl nonanoate is C15H30O2.
What is the molecular weight of Hexyl nonanoate?
The molecular weight of Hexyl nonanoate is 242.22 g/mol.
Where can I buy Hexyl nonanoate?
You can request a quote for Hexyl nonanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl nonanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl nonanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.