異戊醇
TL;DR: 異戊醇 (CAS 123-51-3) is a chemical compound with molecular formula C5H12O and molecular weight 88.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
異戊醇
3-methylbutan-1-ol
Also Known As: Isoamyl alcohol, 3-Methyl-1-butanol, Isopentyl alcohol, Isopentanol, 3-Methylbutan-1-ol
| Molecular Formula | C5H12O |
|---|---|
| Molecular Weight | 88.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 88.08881 |
| Heavy Atoms | 6 |
| Complexity | 25.0 |
| Melting Point | -117.2 °C |
| Boiling Point | 132.2 °C at 760 mmHg |
| Density | 0.81 at 20.0 °C - Less dense than water; will float |
| Solubility | 2 % at 57 °F (NIOSH, 2024) |
| Flash Point | 45.6 °C |
| Vapor Pressure | 28 mmHg |
| Refractive Index | 1.4075 @ 20 °C |
Chemical Identifiers
| CAS Number | 123-51-3 |
|---|---|
| SMILES | CC(C)CCO |
| InChIKey | PHTQWCKDNZKARW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
異戊醇 (CAS 123-51-3), with molecular formula C5H12O and molecular weight 88.09 g/mol. IUPAC: 3-methylbutan-1-ol.
Chemical Property Profile of 異戊醇
Property Insights of 異戊醇
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 異戊醇. With a topological polar surface area (TPSA) of 20.2 Ų, 異戊醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 異戊醇 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 異戊醇?
The CAS number of 異戊醇 is 123-51-3.
What is the molecular formula of 異戊醇?
The molecular formula of 異戊醇 is C5H12O.
What is the molecular weight of 異戊醇?
The molecular weight of 異戊醇 is 88.09 g/mol.
Where can I buy 異戊醇?
You can request a quote for 異戊醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 異戊醇?
Yes, KEHONG BIO provides custom synthesis services for 異戊醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.