3,3-二甲基-2-丁醇
TL;DR: 3,3-二甲基-2-丁醇 (CAS 464-07-3) 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.
3,3-二甲基-2-丁醇
3,3-dimethylbutan-2-ol
Also Known As: Pinacolyl alcohol, 3,3-DIMETHYL-2-BUTANOL, 3,3-Dimethylbutan-2-ol, tert-Butyl methyl carbinol, 2,2-Dimethyl-3-butanol
| Molecular Formula | C6H14O |
|---|---|
| Molecular Weight | 102.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 102.10446 |
| Heavy Atoms | 7 |
| Complexity | 51.0 |
| Melting Point | 5.6 °C |
| Boiling Point | 120.4 °C |
| Density | 0.8122 g/cu cm |
| Solubility | Very soluble ethanol, ethyl ether |
| Flash Point | 26.0 °C, 26 °C: closed cup |
| Vapor Pressure | 8.81 [mmHg] |
| Refractive Index | = 1.4148 at 20 °C |
Chemical Identifiers
| CAS Number | 464-07-3 |
|---|---|
| SMILES | CC(C(C)(C)C)O |
| InChIKey | DFOXKPDFWGNLJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-二甲基-2-丁醇 (CAS 464-07-3), with molecular formula C6H14O and molecular weight 102.10 g/mol. IUPAC: 3,3-dimethylbutan-2-ol.
Chemical Property Profile of 3,3-二甲基-2-丁醇
Property Insights of 3,3-二甲基-2-丁醇
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-二甲基-2-丁醇. With a topological polar surface area (TPSA) of 20.2 Ų, 3,3-二甲基-2-丁醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-二甲基-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 3,3-二甲基-2-丁醇?
The CAS number of 3,3-二甲基-2-丁醇 is 464-07-3.
What is the molecular formula of 3,3-二甲基-2-丁醇?
The molecular formula of 3,3-二甲基-2-丁醇 is C6H14O.
What is the molecular weight of 3,3-二甲基-2-丁醇?
The molecular weight of 3,3-二甲基-2-丁醇 is 102.10 g/mol.
Where can I buy 3,3-二甲基-2-丁醇?
You can request a quote for 3,3-二甲基-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 3,3-二甲基-2-丁醇?
Yes, KEHONG BIO provides custom synthesis services for 3,3-二甲基-2-丁醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.