Isooctan-1-ol
TL;DR: Isooctan-1-ol (CAS 1653-40-3) 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.
6-methylheptan-1-ol
Also Known As: Isooctanol, 6-METHYL-1-HEPTANOL, 6-METHYLHEPTAN-1-OL, 6-Methylheptanol, 1-Heptanol, 6-methyl-
| 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 | 50.0 |
| Melting Point | less than 100.0 °C |
| Boiling Point | 186.1 °C at 760 mmHg |
| Density | 0.832 at 20.0 °C - Less dense than water; will float |
| Solubility | Insoluble (NIOSH, 2024) |
| Flash Point | 82.2 °C |
| Vapor Pressure | 1.03 mmHg |
| Refractive Index | = 1.4251 at 25 °C |
Chemical Identifiers
| CAS Number | 1653-40-3 |
|---|---|
| SMILES | CC(C)CCCCCO |
| InChIKey | BWDBEAQIHAEVLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isooctan-1-ol (CAS 1653-40-3), with molecular formula C8H18O and molecular weight 130.14 g/mol. IUPAC: 6-methylheptan-1-ol.
Chemical Property Profile of Isooctan-1-ol
Property Insights of Isooctan-1-ol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isooctan-1-ol. With a topological polar surface area (TPSA) of 20.2 Ų, Isooctan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isooctan-1-ol 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 Isooctan-1-ol?
The CAS number of Isooctan-1-ol is 1653-40-3.
What is the molecular formula of Isooctan-1-ol?
The molecular formula of Isooctan-1-ol is C8H18O.
What is the molecular weight of Isooctan-1-ol?
The molecular weight of Isooctan-1-ol is 130.14 g/mol.
Where can I buy Isooctan-1-ol?
You can request a quote for Isooctan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isooctan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for Isooctan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.