正己醇
TL;DR: 正己醇 (CAS 111-27-3) is a chemical compound with molecular formula C6H14O and molecular weight 102.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
正己醇
hexan-1-ol
Also Known As: 1-Hexanol, Hexyl alcohol, Hexan-1-ol, HEXANOL, n-Hexanol
| Molecular Formula | C6H14O |
|---|---|
| Molecular Weight | 102.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 102.10446 |
| Heavy Atoms | 7 |
| Complexity | 27.0 |
| Melting Point | -44.6 °C |
| Boiling Point | 157.1 °C at 760 mmHg |
| Density | 0.85 at 20.0 °C - Less dense than water; will float |
| Solubility | Sol in ethanol, acetone, chloroform; miscible with ether, benzene; slightly soluble in carbon tetrachloride |
| Flash Point | 62.8 °C |
| Vapor Pressure | 38.78 mmHg |
| Refractive Index | = 1.4162 at 25 °C/4 °C |
Chemical Identifiers
| CAS Number | 111-27-3 |
|---|---|
| SMILES | CCCCCCO |
| InChIKey | ZSIAUFGUXNUGDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
正己醇 (CAS 111-27-3), with molecular formula C6H14O and molecular weight 102.10 g/mol. IUPAC: hexan-1-ol.
Chemical Property Profile of 正己醇
Property Insights of 正己醇
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 正己醇. With a topological polar surface area (TPSA) of 20.2 Ų, 正己醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 正己醇 has 1 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 正己醇?
The CAS number of 正己醇 is 111-27-3.
What is the molecular formula of 正己醇?
The molecular formula of 正己醇 is C6H14O.
What is the molecular weight of 正己醇?
The molecular weight of 正己醇 is 102.10 g/mol.
Where can I buy 正己醇?
You can request a quote for 正己醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 正己醇?
Yes, KEHONG BIO provides custom synthesis services for 正己醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.