2-Ethylhexanal
TL;DR: 2-Ethylhexanal (CAS 123-05-7) is a chemical compound with molecular formula C8H16O and molecular weight 128.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexanal
Also Known As: 2-Ethylhexanal, 2-Ethylhexaldehyde, Hexanal, 2-ethyl-, 3-Formylheptane, Octyl aldehyde
| Molecular Formula | C8H16O |
|---|---|
| Molecular Weight | 128.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 128.12012 |
| Heavy Atoms | 9 |
| Complexity | 69.0 |
| Melting Point | less than -100 °C |
| Boiling Point | 163.4 °C at 760 mmHg |
| Density | 0.82 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 51.7 °C |
| Vapor Pressure | 1.8 mmHg at 20.0 °C |
| Refractive Index | 1.4142 at 20 °C |
Chemical Identifiers
| CAS Number | 123-05-7 |
|---|---|
| SMILES | CCCCC(CC)C=O |
| InChIKey | LGYNIFWIKSEESD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylhexanal (CAS 123-05-7), with molecular formula C8H16O and molecular weight 128.12 g/mol. IUPAC: 2-ethylhexanal.
Chemical Property Profile of 2-Ethylhexanal
Property Insights of 2-Ethylhexanal
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylhexanal. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Ethylhexanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexanal has 0 hydrogen bond donor(s) and 1 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-Ethylhexanal?
The CAS number of 2-Ethylhexanal is 123-05-7.
What is the molecular formula of 2-Ethylhexanal?
The molecular formula of 2-Ethylhexanal is C8H16O.
What is the molecular weight of 2-Ethylhexanal?
The molecular weight of 2-Ethylhexanal is 128.12 g/mol.
Where can I buy 2-Ethylhexanal?
You can request a quote for 2-Ethylhexanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexanal?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.