2-Ethylhexyl formate
TL;DR: 2-Ethylhexyl formate (CAS 5460-45-7) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl formate
Also Known As: 2-Ethylhexyl formate, Formic acid,2-ethylhexyl ester, 2-ethylhexylformate, Formic acid, 2-ethylhexyl ester, Formiat des 2-Ethylhexanols
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 5460-45-7 |
|---|---|
| SMILES | CCCCC(CC)COC=O |
| InChIKey | SIZYAYFVBQLSJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylhexyl formate (CAS 5460-45-7), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 2-ethylhexyl formate.
Chemical Property Profile of 2-Ethylhexyl formate
Property Insights of 2-Ethylhexyl formate
The XLogP value of 3.7 indicates that 2-Ethylhexyl formate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Ethylhexyl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl formate 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 2-Ethylhexyl formate?
The CAS number of 2-Ethylhexyl formate is 5460-45-7.
What is the molecular formula of 2-Ethylhexyl formate?
The molecular formula of 2-Ethylhexyl formate is C9H18O2.
What is the molecular weight of 2-Ethylhexyl formate?
The molecular weight of 2-Ethylhexyl formate is 158.13 g/mol.
Where can I buy 2-Ethylhexyl formate?
You can request a quote for 2-Ethylhexyl formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl formate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.