4-Methyl-2-Pentanol
TL;DR: 4-Methyl-2-Pentanol (CAS 108-11-2) is a chemical compound with molecular formula C6H14O and molecular weight 102.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylpentan-2-ol
Also Known As: 4-METHYL-2-PENTANOL, 4-Methylpentan-2-ol, Isobutylmethylcarbinol, 2-Methyl-4-pentanol, Methyl isobutyl carbinol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H14O |
| Molecular Weight | 102.10446 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 102.10446 Da |
| Heavy Atoms | 7 |
| Complexity | 41.0 |
| Purity | 98% |
| Melting Point | less than -130 °F (USCG, 1999) |
| Boiling Point | 269.2 °F at 760 mmHg (USCG, 1999) |
| Density | 0.807 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 106 °F (USCG, 1999) |
| Vapor Pressure | 3 mmHg (NIOSH, 2024) |
| Refractive Index | INDEX OF REFRACTION: 1.4100 @ 20 °C/D |
| Solubility | 2 % (NIOSH, 2024) |
| SMILES | CC(C)CC(C)O |
| InChIKey | WVYWICLMDOOCFB-UHFFFAOYSA-N |
Product Description
Applications: Application 4-Methyl-2-pentanol has been used as an internal standard in the characterization of volatile fraction of monovarietal wines. Compare Similar Items View Full Comparison Show Differences This Item PHR3274 8.05804 111120 Sigma-Aldrich 109916 4-Methyl-2-pentanol Quick View Supelco PHR3274 4-Methyl-2-pentanol Quick View Sigma-Aldrich 8.05804 4-Methyl-2-pentanol Quick View Sigma-Aldrich 111120 2-Methyl-2-pentanol Quick View description 98% description
Chemical Property Profile of 4-Methyl-2-Pentanol
Property Insights of 4-Methyl-2-Pentanol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-Pentanol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Methyl-2-Pentanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-Pentanol 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 4-Methyl-2-Pentanol?
The CAS number of 4-Methyl-2-Pentanol is 108-11-2.
What is the molecular formula of 4-Methyl-2-Pentanol?
The molecular formula of 4-Methyl-2-Pentanol is C6H14O.
What is the molecular weight of 4-Methyl-2-Pentanol?
The molecular weight of 4-Methyl-2-Pentanol is 102.10446 g/mol.
What are the applications of 4-Methyl-2-Pentanol?
Application 4-Methyl-2-pentanol has been used as an internal standard in the characterization of volatile fraction of monovarietal wines. Compare Similar Items View Full Comparison Show Differences This Item PHR3274 8.05804 111120 Sigma-Aldrich 109916 4-Methyl-2-pentanol Quick...
Where can I buy 4-Methyl-2-Pentanol?
You can request a quote for 4-Methyl-2-Pentanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methyl-2-Pentanol?
Yes, CoreyChem provides custom synthesis services for 4-Methyl-2-Pentanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.