Octyl (octyloxy)acetate
TL;DR: Octyl (octyloxy)acetate (CAS 67845-79-8) is a chemical compound with molecular formula C18H36O3 and molecular weight 300.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-octoxyacetate
Also Known As: octyl(octyloxy)acetate, Octyl (octyloxy)acetate, octyl 2-octoxyacetate, octyl 2-(octyloxy)acetate, Phosphorothioic acid,O,O-dimethyl O-(3-(hydroxymethyl)-4-nitrophenyl) ester
| Molecular Formula | C18H36O3 |
|---|---|
| Molecular Weight | 300.27 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 300.26645 |
| Heavy Atoms | 21 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 67845-79-8 |
|---|---|
| SMILES | CCCCCCCCOCC(=O)OCCCCCCCC |
| InChIKey | MQEVGOURUMNEHP-UHFFFAOYSA-N |
Product Overview
Octyl (octyloxy)acetate (CAS 67845-79-8), with molecular formula C18H36O3 and molecular weight 300.27 g/mol. IUPAC: octyl 2-octoxyacetate.
Chemical Property Profile of Octyl (octyloxy)acetate
Property Insights of Octyl (octyloxy)acetate
The XLogP value of 6.8 indicates that Octyl (octyloxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Octyl (octyloxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl (octyloxy)acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octyl (octyloxy)acetate?
The CAS number of Octyl (octyloxy)acetate is 67845-79-8.
What is the molecular formula of Octyl (octyloxy)acetate?
The molecular formula of Octyl (octyloxy)acetate is C18H36O3.
What is the molecular weight of Octyl (octyloxy)acetate?
The molecular weight of Octyl (octyloxy)acetate is 300.27 g/mol.
Where can I buy Octyl (octyloxy)acetate?
You can request a quote for Octyl (octyloxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl (octyloxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Octyl (octyloxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.