Ethyl 2-ethylhexanoate
TL;DR: Ethyl 2-ethylhexanoate (CAS 2983-37-1) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-ethylhexanoate
Also Known As: Ethyl 2-ethylhexanoate, Ethyl 2-ethylcaproate, orris capronate, irotyl, ethyl2-ethylhexanoate
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 121.0 |
| Boiling Point | 81.00 °C. @ 24.00 mm Hg |
| Density | 0.860 - 0.867 |
| Solubility | Practically insoluble or insoluble |
| Refractive Index | 1.411 - 1.417 |
Chemical Identifiers
| CAS Number | 2983-37-1 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OCC |
| InChIKey | YXAGIRHBJJLWHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-ethylhexanoate (CAS 2983-37-1), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: ethyl 2-ethylhexanoate.
Chemical Property Profile of Ethyl 2-ethylhexanoate
Property Insights of Ethyl 2-ethylhexanoate
The XLogP value of 3.3 indicates that Ethyl 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, Ethyl 2-ethylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-ethylhexanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-ethylhexanoate?
The CAS number of Ethyl 2-ethylhexanoate is 2983-37-1.
What is the molecular formula of Ethyl 2-ethylhexanoate?
The molecular formula of Ethyl 2-ethylhexanoate is C10H20O2.
What is the molecular weight of Ethyl 2-ethylhexanoate?
The molecular weight of Ethyl 2-ethylhexanoate is 172.15 g/mol.
Where can I buy Ethyl 2-ethylhexanoate?
You can request a quote for Ethyl 2-ethylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-ethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-ethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.