Ethylhexyl Pelargonate
TL;DR: Ethylhexyl Pelargonate (CAS 59587-44-9) 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.
2-ethylhexyl nonanoate
Also Known As: 2-Ethylhexyl nonanoate, 2-Ethylhexyl pelargonate, ethylhexyl pelargonate, Octyl pelargonate, CRODAMOL OPG
| Molecular Formula | C17H34O2 |
|---|---|
| Molecular Weight | 270.26 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 270.2559 |
| Heavy Atoms | 19 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 59587-44-9 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCC(CC)CCCC |
| InChIKey | CCFWAONPPYWNDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethylhexyl Pelargonate (CAS 59587-44-9), with molecular formula C17H34O2 and molecular weight 270.26 g/mol. IUPAC: 2-ethylhexyl nonanoate.
Chemical Property Profile of Ethylhexyl Pelargonate
Property Insights of Ethylhexyl Pelargonate
The XLogP value of 6.8 indicates that Ethylhexyl Pelargonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethylhexyl Pelargonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylhexyl Pelargonate 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 Ethylhexyl Pelargonate?
The CAS number of Ethylhexyl Pelargonate is 59587-44-9.
What is the molecular formula of Ethylhexyl Pelargonate?
The molecular formula of Ethylhexyl Pelargonate is C17H34O2.
What is the molecular weight of Ethylhexyl Pelargonate?
The molecular weight of Ethylhexyl Pelargonate is 270.26 g/mol.
Where can I buy Ethylhexyl Pelargonate?
You can request a quote for Ethylhexyl Pelargonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylhexyl Pelargonate?
Yes, KEHONG BIO provides custom synthesis services for Ethylhexyl Pelargonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.