3,3,5-Trimethylcyclohexanol
TL;DR: 3,3,5-Trimethylcyclohexanol (CAS 116-02-9) is a chemical compound with molecular formula C9H18O and molecular weight 142.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3,5-trimethylcyclohexan-1-ol
Also Known As: 3,3,5-TRIMETHYLCYCLOHEXANOL, Homomenthol, Cyclonol, dihydroisophorol, 3,3,5-trimethylcyclohexan-1-ol
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H18O |
| Molecular Weight | 142.13577 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.13577 Da |
| Heavy Atoms | 10 |
| Complexity | 118.0 |
| Melting Point | 37.0 °C |
| Boiling Point | 198 °C |
| Density | 0.878 @ 40 °C/20 °C |
| Flash Point | 73.9 °C |
| Vapor Pressure | 0.1 [mmHg] |
| Solubility | SLIGHTLY SOL IN WATER |
| SMILES | CC1CC(CC(C1)(C)C)O |
| InChIKey | BRRVXFOKWJKTGG-UHFFFAOYSA-N |
Product Description
Applications: 3,3,5-Trimethylcyclohexanol is used in complex organic molecule assembly across discovery and process chemistry, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3,3,5-Trimethylcyclohexanol (CAS 116-02-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3,3,5-Trimethylcyclohexanol (CAS 116-02-9) is a organic building block with the molecular formula C9H18O and a molecular weight of 142.14 g/mol. Key physical properties include a density of 0.878 @ 40 °C/20 °C g/cm³, a solubility: SLIGHTLY SOL IN WATER. It is also known as 3,3,5-TRIMETHYLCYCLOHEXANOL and Homomenthol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3,3,5-Trimethylcyclohexanol
Property Insights of 3,3,5-Trimethylcyclohexanol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,5-Trimethylcyclohexanol. With a topological polar surface area (TPSA) of 20.2 Ų, 3,3,5-Trimethylcyclohexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,5-Trimethylcyclohexanol 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
What is the CAS number of 3,3,5-Trimethylcyclohexanol?
The CAS number of 3,3,5-Trimethylcyclohexanol is 116-02-9.
What is the molecular formula of 3,3,5-Trimethylcyclohexanol?
The molecular formula of 3,3,5-Trimethylcyclohexanol is C9H18O.
What is the molecular weight of 3,3,5-Trimethylcyclohexanol?
The molecular weight of 3,3,5-Trimethylcyclohexanol is 142.13577 g/mol.
What are the applications of 3,3,5-Trimethylcyclohexanol?
3,3,5-Trimethylcyclohexanol is used in complex organic molecule assembly across discovery and process chemistry, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3,3,5-Trimethylcyclohexanol...
Where can I buy 3,3,5-Trimethylcyclohexanol?
You can request a quote for 3,3,5-Trimethylcyclohexanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3,5-Trimethylcyclohexanol?
Yes, CoreyChem provides custom synthesis services for 3,3,5-Trimethylcyclohexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.