Octyl 7-methyloctanoate
TL;DR: Octyl 7-methyloctanoate (CAS 84878-30-8) is a chemical compound with molecular formula C17H34O2 and molecular weight 270.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 7-methyloctanoate
Also Known As: Octyl isononanoate, octylisononanoate, Octyl 7-methyloctanoate, EINECS 284-421-7, 7-Methyloctanoic acid octyl ester
| Molecular Formula | C17H34O2 |
|---|---|
| Molecular Weight | 270.26 g/mol |
| LogP | 5.4966 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 270.2559 |
| Heavy Atoms | 19 |
| Complexity | 199.43875 |
Chemical Identifiers
| CAS Number | 84878-30-8 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CCCCCC(C)C |
Product Overview
Octyl 7-methyloctanoate (CAS 84878-30-8), with molecular formula C17H34O2 and molecular weight 270.26 g/mol. IUPAC: octyl 7-methyloctanoate.
Chemical Property Profile of Octyl 7-methyloctanoate
Property Insights of Octyl 7-methyloctanoate
The XLogP value of 5.4966 indicates that Octyl 7-methyloctanoate 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 7-methyloctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 7-methyloctanoate 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 7-methyloctanoate?
The CAS number of Octyl 7-methyloctanoate is 84878-30-8.
What is the molecular formula of Octyl 7-methyloctanoate?
The molecular formula of Octyl 7-methyloctanoate is C17H34O2.
What is the molecular weight of Octyl 7-methyloctanoate?
The molecular weight of Octyl 7-methyloctanoate is 270.26 g/mol.
Where can I buy Octyl 7-methyloctanoate?
You can request a quote for Octyl 7-methyloctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl 7-methyloctanoate?
Yes, KEHONG BIO provides custom synthesis services for Octyl 7-methyloctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.