Hexyl propionate
TL;DR: Hexyl propionate (CAS 2445-76-3) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl propanoate
Also Known As: Hexyl propionate, Hexyl propanoate, 1-Hexyl propionate, Propanoic acid, hexyl ester, 1-Hexyl propanoate
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 99.0 |
| Melting Point | -57.5 °C |
| Boiling Point | 73.00 to 74.00 °C. @ 10.00 mm Hg |
| Density | 0.863-0.874 |
| Solubility | very slightly |
| Refractive Index | 1.409-1.415 |
Chemical Identifiers
| CAS Number | 2445-76-3 |
|---|---|
| SMILES | CCCCCCOC(=O)CC |
| InChIKey | GOKKOFHHJFGZHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl propionate (CAS 2445-76-3), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: hexyl propanoate.
Chemical Property Profile of Hexyl propionate
Property Insights of Hexyl propionate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexyl propionate. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl propionate 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 Hexyl propionate?
The CAS number of Hexyl propionate is 2445-76-3.
What is the molecular formula of Hexyl propionate?
The molecular formula of Hexyl propionate is C9H18O2.
What is the molecular weight of Hexyl propionate?
The molecular weight of Hexyl propionate is 158.13 g/mol.
Where can I buy Hexyl propionate?
You can request a quote for Hexyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl propionate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.