Ethylhexyl Isononanoate
TL;DR: Ethylhexyl Isononanoate (CAS 70969-70-9) 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 3,5,5-trimethylhexanoate
Also Known As: 2-Ethylhexyl 3,5,5-trimethylhexanoate, Octyl isononanoate, Dragoxat 89, 2-Ethylhexyl isononanoate, Dodecyl isooctanoate
| Molecular Formula | C17H34O2 |
|---|---|
| Molecular Weight | 270.26 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 270.2559 |
| Heavy Atoms | 19 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 70969-70-9 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CC(C)CC(C)(C)C |
| InChIKey | LCVHZNSIAYNAGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethylhexyl Isononanoate (CAS 70969-70-9), with molecular formula C17H34O2 and molecular weight 270.26 g/mol. IUPAC: 2-ethylhexyl 3,5,5-trimethylhexanoate.
Chemical Property Profile of Ethylhexyl Isononanoate
Property Insights of Ethylhexyl Isononanoate
The XLogP value of 6.2 indicates that Ethylhexyl Isononanoate 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 Isononanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylhexyl Isononanoate 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 Isononanoate?
The CAS number of Ethylhexyl Isononanoate is 70969-70-9.
What is the molecular formula of Ethylhexyl Isononanoate?
The molecular formula of Ethylhexyl Isononanoate is C17H34O2.
What is the molecular weight of Ethylhexyl Isononanoate?
The molecular weight of Ethylhexyl Isononanoate is 270.26 g/mol.
Where can I buy Ethylhexyl Isononanoate?
You can request a quote for Ethylhexyl Isononanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylhexyl Isononanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethylhexyl Isononanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.