3-辛醇
TL;DR: 3-辛醇 (CAS 589-98-0) is a chemical compound with molecular formula C8H18O and molecular weight 130.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-辛醇
octan-3-ol
Also Known As: 3-OCTANOL, Octan-3-ol, 1-Ethylhexanol, Ethylamylcarbinol, octanol
| Molecular Formula | C8H18O |
|---|---|
| Molecular Weight | 130.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 130.13577 |
| Heavy Atoms | 9 |
| Complexity | 52.0 |
| Melting Point | -45.00 °C. @ 760.00 mm Hg |
| Boiling Point | 173.00 to 175.00 °C. @ 760.00 mm Hg |
| Density | 0.817-0.824 |
| Solubility | soluble in alcohol, ether; insoluble in water |
| Refractive Index | 1.425-1.429 |
Chemical Identifiers
| CAS Number | 589-98-0 |
|---|---|
| SMILES | CCCCCC(CC)O |
| InChIKey | NMRPBPVERJPACX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-辛醇 (CAS 589-98-0), with molecular formula C8H18O and molecular weight 130.14 g/mol. IUPAC: octan-3-ol.
Chemical Property Profile of 3-辛醇
Property Insights of 3-辛醇
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-辛醇. With a topological polar surface area (TPSA) of 20.2 Ų, 3-辛醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-辛醇 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 3-辛醇?
The CAS number of 3-辛醇 is 589-98-0.
What is the molecular formula of 3-辛醇?
The molecular formula of 3-辛醇 is C8H18O.
What is the molecular weight of 3-辛醇?
The molecular weight of 3-辛醇 is 130.14 g/mol.
Where can I buy 3-辛醇?
You can request a quote for 3-辛醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-辛醇?
Yes, KEHONG BIO provides custom synthesis services for 3-辛醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.