4-甲基-2-戊醇
TL;DR: 4-甲基-2-戊醇 (CAS 108-11-2) is a chemical compound with molecular formula C6H14O and molecular weight 102.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基-2-戊醇
4-methylpentan-2-ol
Also Known As: 4-METHYL-2-PENTANOL, 4-Methylpentan-2-ol, Isobutylmethylcarbinol, 2-Methyl-4-pentanol, Methyl isobutyl carbinol
| Molecular Formula | C6H14O |
|---|---|
| Molecular Weight | 102.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 102.10446 |
| Heavy Atoms | 7 |
| Complexity | 41.0 |
| Melting Point | less than -90.0 °C |
| Boiling Point | 131.8 °C at 760 mmHg |
| Density | 0.807 at 20.0 °C - Less dense than water; will float |
| Solubility | 2 % (NIOSH, 2024) |
| Flash Point | 41.1 °C |
| Vapor Pressure | 3 mmHg |
| Refractive Index | 1.4100 @ 20 °C |
Chemical Identifiers
| CAS Number | 108-11-2 |
|---|---|
| SMILES | CC(C)CC(C)O |
| InChIKey | WVYWICLMDOOCFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
📋 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
Product Overview
4-甲基-2-戊醇 (CAS 108-11-2), with molecular formula C6H14O and molecular weight 102.10 g/mol. IUPAC: 4-methylpentan-2-ol.
Primary 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-甲基-2-戊醇
Property Insights of 4-甲基-2-戊醇
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基-2-戊醇. With a topological polar surface area (TPSA) of 20.2 Ų, 4-甲基-2-戊醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基-2-戊醇 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 4-甲基-2-戊醇?
The CAS number of 4-甲基-2-戊醇 is 108-11-2.
What is the molecular formula of 4-甲基-2-戊醇?
The molecular formula of 4-甲基-2-戊醇 is C6H14O.
What is the molecular weight of 4-甲基-2-戊醇?
The molecular weight of 4-甲基-2-戊醇 is 102.10 g/mol.
What are the applications of 4-甲基-2-戊醇?
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-甲基-2-戊醇?
You can request a quote for 4-甲基-2-戊醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基-2-戊醇?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基-2-戊醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.