2-Ethylbutyl butyrate
TL;DR: 2-Ethylbutyl butyrate (CAS 74398-53-1) 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.
2-ethylbutyl butanoate
Also Known As: 2-ethylbutyl butanoate, 2-Ethylbutyl butyrate, 2-Ethylbutyl butyrate #, Butyric acid 2-ethylbutyl ester, ORLMWYKVMXNKNJ-UHFFFAOYSA-
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.0 |
| 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 | 117.0 |
Chemical Identifiers
| CAS Number | 74398-53-1 |
|---|---|
| SMILES | CCCC(=O)OCC(CC)CC |
| InChIKey | ORLMWYKVMXNKNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylbutyl butyrate (CAS 74398-53-1), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 2-ethylbutyl butanoate.
Chemical Property Profile of 2-Ethylbutyl butyrate
Property Insights of 2-Ethylbutyl butyrate
The XLogP value of 3.0 indicates that 2-Ethylbutyl butyrate 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-Ethylbutyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylbutyl butyrate 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-Ethylbutyl butyrate?
The CAS number of 2-Ethylbutyl butyrate is 74398-53-1.
What is the molecular formula of 2-Ethylbutyl butyrate?
The molecular formula of 2-Ethylbutyl butyrate is C10H20O2.
What is the molecular weight of 2-Ethylbutyl butyrate?
The molecular weight of 2-Ethylbutyl butyrate is 172.15 g/mol.
Where can I buy 2-Ethylbutyl butyrate?
You can request a quote for 2-Ethylbutyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylbutyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylbutyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.