Octyl propionate
TL;DR: Octyl propionate (CAS 142-60-9) 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.
octyl propanoate
Also Known As: Octyl propionate, Octyl propanoate, n-Octyl propanoate, n-Octyl propionate, PROPANOIC ACID, OCTYL ESTER
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.9 |
| 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 | -42.6 °C |
| Boiling Point | 228.00 °C. @ 760.00 mm Hg |
| Density | 0.8700-0.87044(15°) |
| Solubility | soluble in alcohol, propylene glycol; insoluble in water |
| Refractive Index | 1.419-1.430 |
Chemical Identifiers
| CAS Number | 142-60-9 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CC |
| InChIKey | CEQGYPPMTKWBIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl propionate (CAS 142-60-9), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: octyl propanoate.
Chemical Property Profile of Octyl propionate
Property Insights of Octyl propionate
The XLogP value of 3.9 indicates that Octyl propionate 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 propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 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 Octyl propionate?
The CAS number of Octyl propionate is 142-60-9.
What is the molecular formula of Octyl propionate?
The molecular formula of Octyl propionate is C11H22O2.
What is the molecular weight of Octyl propionate?
The molecular weight of Octyl propionate is 186.16 g/mol.
Where can I buy Octyl propionate?
You can request a quote for Octyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl propionate?
Yes, KEHONG BIO provides custom synthesis services for Octyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.