正辛醇
TL;DR: 正辛醇 (CAS 111-87-5) 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.
正辛醇
octan-1-ol
Also Known As: 1-octanol, octanol, Octan-1-ol, N-octanol, Octyl alcohol
| Molecular Formula | C8H18O |
|---|---|
| Molecular Weight | 130.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 130.13577 |
| Heavy Atoms | 9 |
| Complexity | 43.0 |
| Melting Point | -15.0 °C |
| Boiling Point | 195.0 °C at 760 mmHg |
| Density | 0.829 at 20.0 °C - Less dense than water; will float |
| Solubility | In water, 540 mg/L at 25 °C |
| Flash Point | 81.1 °C |
| Vapor Pressure | 0.07 [mmHg] |
| Refractive Index | = 1.4205 at 20 °C |
Chemical Identifiers
| CAS Number | 111-87-5 |
|---|---|
| SMILES | CCCCCCCCO |
| InChIKey | KBPLFHHGFOOTCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
正辛醇 (CAS 111-87-5), with molecular formula C8H18O and molecular weight 130.14 g/mol. IUPAC: octan-1-ol.
Chemical Property Profile of 正辛醇
Property Insights of 正辛醇
The XLogP value of 3.0 indicates that 正辛醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 正辛醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 正辛醇 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 正辛醇?
The CAS number of 正辛醇 is 111-87-5.
What is the molecular formula of 正辛醇?
The molecular formula of 正辛醇 is C8H18O.
What is the molecular weight of 正辛醇?
The molecular weight of 正辛醇 is 130.14 g/mol.
Where can I buy 正辛醇?
You can request a quote for 正辛醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 正辛醇?
Yes, KEHONG BIO provides custom synthesis services for 正辛醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.