2,6-Dimethyl-4-heptanol
TL;DR: 2,6-Dimethyl-4-heptanol (CAS 108-82-7) is a chemical compound with molecular formula C9H20O and molecular weight 144.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethylheptan-4-ol
Also Known As: 2,6-Dimethylheptan-4-ol, Diisobutylcarbinol, 2,6-Dimethyl-4-heptanol, DIISOBUTYL CARBINOL, sec-Nonyl alcohol
| Molecular Formula | C9H20O |
|---|---|
| Molecular Weight | 144.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.15141 |
| Heavy Atoms | 10 |
| Complexity | 66.0 |
| Melting Point | -65.0 °C |
| Boiling Point | 177.8 °C at 760 mmHg |
| Density | 0.812 at 20.0 °C - Less dense than water; will float |
| Solubility | INSOL IN WATER; SOLUBLE IN ALCOHOL, ETHER |
| Flash Point | 73.9 °C |
| Vapor Pressure | 3.1 mmHg |
| Refractive Index | 1.423 @ 21 °C |
Chemical Identifiers
| CAS Number | 108-82-7 |
|---|---|
| SMILES | CC(C)CC(CC(C)C)O |
| InChIKey | HXQPUEQDBSPXTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dimethyl-4-heptanol (CAS 108-82-7), with molecular formula C9H20O and molecular weight 144.15 g/mol. IUPAC: 2,6-dimethylheptan-4-ol.
Chemical Property Profile of 2,6-Dimethyl-4-heptanol
Property Insights of 2,6-Dimethyl-4-heptanol
The XLogP value of 3.0 indicates that 2,6-Dimethyl-4-heptanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2,6-Dimethyl-4-heptanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethyl-4-heptanol 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 2,6-Dimethyl-4-heptanol?
The CAS number of 2,6-Dimethyl-4-heptanol is 108-82-7.
What is the molecular formula of 2,6-Dimethyl-4-heptanol?
The molecular formula of 2,6-Dimethyl-4-heptanol is C9H20O.
What is the molecular weight of 2,6-Dimethyl-4-heptanol?
The molecular weight of 2,6-Dimethyl-4-heptanol is 144.15 g/mol.
Where can I buy 2,6-Dimethyl-4-heptanol?
You can request a quote for 2,6-Dimethyl-4-heptanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-4-heptanol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-4-heptanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.