2-甲基-1-丁醇
TL;DR: 2-甲基-1-丁醇 (CAS 137-32-6) 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.
2-甲基-1-丁醇
2-methylbutan-1-ol
Also Known As: 2-METHYL-1-BUTANOL, 2-Methylbutan-1-ol, sec-Butylcarbinol, 2-Methylbutanol, Active amyl alcohol
| 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 | 27.0 |
| Melting Point | FREEZING POINT: LESS THAN -70 °C |
| Boiling Point | 128 °C @ 760 MM HG |
| Density | 0.816 @ 20 °C |
| Solubility | MISCIBLE WITH ALC & ETHER |
| Flash Point | 50 °C |
| Vapor Pressure | 3.12 [mmHg] |
| Refractive Index | 1.4102 @ 20 °C /1-Butanol, 2-methyl (d)/ |
Chemical Identifiers
| CAS Number | 137-32-6 |
|---|---|
| SMILES | CCC(C)CO |
| InChIKey | QPRQEDXDYOZYLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-1-丁醇 (CAS 137-32-6), with molecular formula C5H12O and molecular weight 88.09 g/mol. IUPAC: 2-methylbutan-1-ol.
Chemical Property Profile of 2-甲基-1-丁醇
Property Insights of 2-甲基-1-丁醇
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-1-丁醇. With a topological polar surface area (TPSA) of 20.2 Ų, 2-甲基-1-丁醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基-1-丁醇 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 2-甲基-1-丁醇?
The CAS number of 2-甲基-1-丁醇 is 137-32-6.
What is the molecular formula of 2-甲基-1-丁醇?
The molecular formula of 2-甲基-1-丁醇 is C5H12O.
What is the molecular weight of 2-甲基-1-丁醇?
The molecular weight of 2-甲基-1-丁醇 is 88.09 g/mol.
Where can I buy 2-甲基-1-丁醇?
You can request a quote for 2-甲基-1-丁醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基-1-丁醇?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-1-丁醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.