3,3,5-三甲基己醇
TL;DR: 3,3,5-三甲基己醇 (CAS 3452-97-9) 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.
3,3,5-三甲基己醇
3,5,5-trimethylhexan-1-ol
Also Known As: 3,5,5-Trimethylhexan-1-ol, 3,5,5-Trimethyl-1-hexanol, Nonylol, i-Nonyl alcohol, Nonanol
| 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 | 81.0 |
| Melting Point | -70 °C |
| Boiling Point | 193-202 °C |
| Density | Relative density (water = 1): 0.83 |
| Solubility | Solubility in water at 20 °C: none |
| Flash Point | 93 °C o.c. |
| Vapor Pressure | 0.3 [mmHg] |
| Refractive Index | 1.435 |
Chemical Identifiers
| CAS Number | 3452-97-9 |
|---|---|
| SMILES | CC(CCO)CC(C)(C)C |
| InChIKey | BODRLKRKPXBDBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,5-三甲基己醇 (CAS 3452-97-9), with molecular formula C9H20O and molecular weight 144.15 g/mol. IUPAC: 3,5,5-trimethylhexan-1-ol.
Chemical Property Profile of 3,3,5-三甲基己醇
Property Insights of 3,3,5-三甲基己醇
The XLogP value of 3.0 indicates that 3,3,5-三甲基己醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 3,3,5-三甲基己醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,5-三甲基己醇 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 3,3,5-三甲基己醇?
The CAS number of 3,3,5-三甲基己醇 is 3452-97-9.
What is the molecular formula of 3,3,5-三甲基己醇?
The molecular formula of 3,3,5-三甲基己醇 is C9H20O.
What is the molecular weight of 3,3,5-三甲基己醇?
The molecular weight of 3,3,5-三甲基己醇 is 144.15 g/mol.
Where can I buy 3,3,5-三甲基己醇?
You can request a quote for 3,3,5-三甲基己醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,5-三甲基己醇?
Yes, KEHONG BIO provides custom synthesis services for 3,3,5-三甲基己醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.