2-Ethylbutyl octanoate
TL;DR: 2-Ethylbutyl octanoate (CAS 6316-98-9) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylbutyl octanoate
Also Known As: 2-ethylbutyl octanoate, 2-ethylbutyloctanoate, 2-Ethylbutyl Caprylate, Octanoic acid,2-ethylbutyl ester, RefChem:260666
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 6316-98-9 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC(CC)CC |
| InChIKey | FKCFSNLCWYKYCS-UHFFFAOYSA-N |
Product Overview
2-Ethylbutyl octanoate (CAS 6316-98-9), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: 2-ethylbutyl octanoate.
Chemical Property Profile of 2-Ethylbutyl octanoate
Property Insights of 2-Ethylbutyl octanoate
The XLogP value of 5.2 indicates that 2-Ethylbutyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Ethylbutyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylbutyl octanoate 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 2-Ethylbutyl octanoate?
The CAS number of 2-Ethylbutyl octanoate is 6316-98-9.
What is the molecular formula of 2-Ethylbutyl octanoate?
The molecular formula of 2-Ethylbutyl octanoate is C14H28O2.
What is the molecular weight of 2-Ethylbutyl octanoate?
The molecular weight of 2-Ethylbutyl octanoate is 228.21 g/mol.
Where can I buy 2-Ethylbutyl octanoate?
You can request a quote for 2-Ethylbutyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylbutyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylbutyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.