3-甲基-2-丁醇
TL;DR: 3-甲基-2-丁醇 (CAS 598-75-4) 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.
3-甲基-2-丁醇
3-methylbutan-2-ol
Also Known As: 3-METHYL-2-BUTANOL, 3-Methylbutan-2-ol, sec-Isoamyl alcohol, 2-Methyl-3-butanol, 2-Butanol, 3-methyl-
| Molecular Formula | C5H12O |
|---|---|
| Molecular Weight | 88.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 88.08881 |
| Heavy Atoms | 6 |
| Complexity | 32.0 |
| Boiling Point | 112.00 to 114.00 °C. @ 760.00 mm Hg |
| Density | 0.815-0.821 |
| Solubility | 56 mg/mL at 25 °C |
| Vapor Pressure | 9.15 [mmHg] |
| Refractive Index | 1.406-1.412 |
Chemical Identifiers
| CAS Number | 598-75-4 |
|---|---|
| SMILES | CC(C)C(C)O |
| InChIKey | MXLMTQWGSQIYOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基-2-丁醇 (CAS 598-75-4), with molecular formula C5H12O and molecular weight 88.09 g/mol. IUPAC: 3-methylbutan-2-ol.
Chemical Property Profile of 3-甲基-2-丁醇
Property Insights of 3-甲基-2-丁醇
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基-2-丁醇. With a topological polar surface area (TPSA) of 20.2 Ų, 3-甲基-2-丁醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基-2-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 3-甲基-2-丁醇?
The CAS number of 3-甲基-2-丁醇 is 598-75-4.
What is the molecular formula of 3-甲基-2-丁醇?
The molecular formula of 3-甲基-2-丁醇 is C5H12O.
What is the molecular weight of 3-甲基-2-丁醇?
The molecular weight of 3-甲基-2-丁醇 is 88.09 g/mol.
Where can I buy 3-甲基-2-丁醇?
You can request a quote for 3-甲基-2-丁醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-2-丁醇?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-2-丁醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.