2-辛醇
TL;DR: 2-辛醇 (CAS 123-96-6) 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.
2-辛醇
octan-2-ol
Also Known As: Octan-2-ol, 2-OCTANOL, Capryl alcohol, 2-Hydroxyoctane, 2-Octyl alcohol
| Molecular Formula | C8H18O |
|---|---|
| Molecular Weight | 130.14 g/mol |
| LogP | 2.9 |
| 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 | -31.6 °C |
| Boiling Point | 179 °C |
| Density | 0.8193 g/cu cm at 20 °C |
| Solubility | In water, 1120 mg/L at 25 C |
| Flash Point | 76 °C |
| Vapor Pressure | 0.24 [mmHg] |
| Refractive Index | Miscible with water; soluble in alcohol, ether, acetone; 1.4264 at 20 deg dC-Form/ |
Chemical Identifiers
| CAS Number | 123-96-6 |
|---|---|
| SMILES | CCCCCCC(C)O |
| InChIKey | SJWFXCIHNDVPSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-辛醇 (CAS 123-96-6), with molecular formula C8H18O and molecular weight 130.14 g/mol. IUPAC: octan-2-ol.
Chemical Property Profile of 2-辛醇
Property Insights of 2-辛醇
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-辛醇. With a topological polar surface area (TPSA) of 20.2 Ų, 2-辛醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-辛醇?
The CAS number of 2-辛醇 is 123-96-6.
What is the molecular formula of 2-辛醇?
The molecular formula of 2-辛醇 is C8H18O.
What is the molecular weight of 2-辛醇?
The molecular weight of 2-辛醇 is 130.14 g/mol.
Where can I buy 2-辛醇?
You can request a quote for 2-辛醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-辛醇?
Yes, KEHONG BIO provides custom synthesis services for 2-辛醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.