2-乙基-1-丁醇
TL;DR: 2-乙基-1-丁醇 (CAS 97-95-0) 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.
2-乙基-1-丁醇
2-ethylbutan-1-ol
Also Known As: 2-Ethyl-1-butanol, 2-Ethylbutan-1-ol, 2-Ethylbutanol, 2-Ethylbutyl alcohol, 1-Butanol, 2-ethyl-
| Molecular Formula | C6H14O |
|---|---|
| Molecular Weight | 102.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 102.10446 |
| Heavy Atoms | 7 |
| Complexity | 31.0 |
| Melting Point | -113.9 °C |
| Boiling Point | 145.0 °C at 760 mmHg |
| Density | 0.834 at 20.0 °C - Less dense than water; will float |
| Solubility | SLIGHTLY SOL IN WATER; SOL IN ALCOHOL, ETHER |
| Flash Point | 53.3 °C |
| Vapor Pressure | 3.62 mmHg |
| Refractive Index | 1.4220 @ 20 °C; SADTLER REFERENCE NUMBER: 103 (IR, PRISM) |
Chemical Identifiers
| CAS Number | 97-95-0 |
|---|---|
| SMILES | CCC(CC)CO |
| InChIKey | TZYRSLHNPKPEFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙基-1-丁醇 (CAS 97-95-0), with molecular formula C6H14O and molecular weight 102.10 g/mol. IUPAC: 2-ethylbutan-1-ol.
Chemical Property Profile of 2-乙基-1-丁醇
Property Insights of 2-乙基-1-丁醇
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙基-1-丁醇. With a topological polar surface area (TPSA) of 20.2 Ų, 2-乙基-1-丁醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙基-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-乙基-1-丁醇?
The CAS number of 2-乙基-1-丁醇 is 97-95-0.
What is the molecular formula of 2-乙基-1-丁醇?
The molecular formula of 2-乙基-1-丁醇 is C6H14O.
What is the molecular weight of 2-乙基-1-丁醇?
The molecular weight of 2-乙基-1-丁醇 is 102.10 g/mol.
Where can I buy 2-乙基-1-丁醇?
You can request a quote for 2-乙基-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-乙基-1-丁醇?
Yes, KEHONG BIO provides custom synthesis services for 2-乙基-1-丁醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.