Octyl 2-ethylbutanoate
TL;DR: Octyl 2-ethylbutanoate (CAS 67358-44-5) 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.
octyl 2-ethylbutanoate
Also Known As: octyl 2-ethylbutanoate, 2-Ethylbutyric acid octyl ester, 2-Ethylbutyric acid, octyl ester, J3.260.650D
| 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 | 67358-44-5 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C(CC)CC |
| InChIKey | CMEOCEDLTVZOBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl 2-ethylbutanoate (CAS 67358-44-5), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: octyl 2-ethylbutanoate.
Chemical Property Profile of Octyl 2-ethylbutanoate
Property Insights of Octyl 2-ethylbutanoate
The XLogP value of 5.2 indicates that Octyl 2-ethylbutanoate 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 2-ethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 2-ethylbutanoate 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 Octyl 2-ethylbutanoate?
The CAS number of Octyl 2-ethylbutanoate is 67358-44-5.
What is the molecular formula of Octyl 2-ethylbutanoate?
The molecular formula of Octyl 2-ethylbutanoate is C14H28O2.
What is the molecular weight of Octyl 2-ethylbutanoate?
The molecular weight of Octyl 2-ethylbutanoate is 228.21 g/mol.
Where can I buy Octyl 2-ethylbutanoate?
You can request a quote for Octyl 2-ethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl 2-ethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Octyl 2-ethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.