己醛
TL;DR: 己醛 (CAS 66-25-1) is a chemical compound with molecular formula C6H12O and molecular weight 100.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己醛
hexanal
Also Known As: HEXANAL, Caproaldehyde, Hexaldehyde, Caproic aldehyde, Capronaldehyde
| Molecular Formula | C6H12O |
|---|---|
| Molecular Weight | 100.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 100.08881 |
| Heavy Atoms | 7 |
| Complexity | 41.0 |
| Melting Point | -58.2 °C |
| Boiling Point | 127.8 °C at 760 mmHg |
| Density | 0.83 at 20.0 °C - Less dense than water; will float |
| Solubility | In water, 5.64X10+3 mg/L at 30 °C |
| Flash Point | 32.2 °C |
| Vapor Pressure | 11.3 [mmHg] |
| Refractive Index | 1.4039 at 20 °C |
Chemical Identifiers
| CAS Number | 66-25-1 |
|---|---|
| SMILES | CCCCCC=O |
| InChIKey | JARKCYVAAOWBJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己醛 (CAS 66-25-1), with molecular formula C6H12O and molecular weight 100.09 g/mol. IUPAC: hexanal.
Chemical Property Profile of 己醛
Property Insights of 己醛
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 己醛. With a topological polar surface area (TPSA) of 17.1 Ų, 己醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己醛 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 己醛?
The CAS number of 己醛 is 66-25-1.
What is the molecular formula of 己醛?
The molecular formula of 己醛 is C6H12O.
What is the molecular weight of 己醛?
The molecular weight of 己醛 is 100.09 g/mol.
Where can I buy 己醛?
You can request a quote for 己醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己醛?
Yes, KEHONG BIO provides custom synthesis services for 己醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.