Nonyl 2-ethylhexanoate
TL;DR: Nonyl 2-ethylhexanoate (CAS 112445-69-9) 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.
nonyl 2-ethylhexanoate
Also Known As: Nonyl 2-ethylhexanoate, Nonyl 2-ethylhexanoate #, Hexanoic acid, 2-ethyl-, nonyl ester
| Molecular Formula | C17H34O2 |
|---|---|
| Molecular Weight | 270.26 g/mol |
| LogP | 6.9 |
| 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 | 112445-69-9 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)C(CC)CCCC |
| InChIKey | DPNHJKKWWDXLPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nonyl 2-ethylhexanoate (CAS 112445-69-9), with molecular formula C17H34O2 and molecular weight 270.26 g/mol. IUPAC: nonyl 2-ethylhexanoate.
Chemical Property Profile of Nonyl 2-ethylhexanoate
Property Insights of Nonyl 2-ethylhexanoate
The XLogP value of 6.9 indicates that Nonyl 2-ethylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Nonyl 2-ethylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonyl 2-ethylhexanoate 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 Nonyl 2-ethylhexanoate?
The CAS number of Nonyl 2-ethylhexanoate is 112445-69-9.
What is the molecular formula of Nonyl 2-ethylhexanoate?
The molecular formula of Nonyl 2-ethylhexanoate is C17H34O2.
What is the molecular weight of Nonyl 2-ethylhexanoate?
The molecular weight of Nonyl 2-ethylhexanoate is 270.26 g/mol.
Where can I buy Nonyl 2-ethylhexanoate?
You can request a quote for Nonyl 2-ethylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonyl 2-ethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Nonyl 2-ethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.