4-Octyl acetate
TL;DR: 4-Octyl acetate (CAS 5921-87-9) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octan-4-yl acetate
Also Known As: 4-Octyl acetate, octan-4-yl acetate, 4-Octanol, acetate, 4-octylacetate, octyl-4-acetate
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 5921-87-9 |
|---|---|
| SMILES | CCCCC(CCC)OC(=O)C |
| InChIKey | OPYUCGUEXGXBNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Octyl acetate (CAS 5921-87-9), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: octan-4-yl acetate.
Chemical Property Profile of 4-Octyl acetate
Property Insights of 4-Octyl acetate
The XLogP value of 3.2 indicates that 4-Octyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Octyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Octyl acetate 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 4-Octyl acetate?
The CAS number of 4-Octyl acetate is 5921-87-9.
What is the molecular formula of 4-Octyl acetate?
The molecular formula of 4-Octyl acetate is C10H20O2.
What is the molecular weight of 4-Octyl acetate?
The molecular weight of 4-Octyl acetate is 172.15 g/mol.
Where can I buy 4-Octyl acetate?
You can request a quote for 4-Octyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Octyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Octyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.