2-Ethyl-1-butanol
TL;DR: 2-Ethyl-1-butanol (CAS 97-95-0) is a chemical compound with molecular formula C6H14O and molecular weight 102.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylbutan-1-ol
Also Known As: 2-Ethyl-1-butanol, 2-Ethylbutan-1-ol, 2-Ethylbutanol, 2-Ethylbutyl alcohol, 1-Butanol, 2-ethyl-
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H14O |
| Molecular Weight | 102.10446 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 102.10446 Da |
| Heavy Atoms | 7 |
| Complexity | 31.0 |
| Melting Point | -173 °F (USCG, 1999) |
| Boiling Point | 293 °F at 760 mmHg (USCG, 1999) |
| Density | 0.834 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 128 °F (USCG, 1999) |
| Vapor Pressure | 3.62 mmHg (USCG, 1999) |
| Refractive Index | INDEX OF REFRACTION: 1.4220 @ 20 °C/D; SADTLER REFERENCE NUMBER: 103 (IR, PRISM) |
| Solubility | SLIGHTLY SOL IN WATER; SOL IN ALCOHOL, ETHER |
| SMILES | CCC(CC)CO |
| InChIKey | TZYRSLHNPKPEFV-UHFFFAOYSA-N |
Product Description
Applications: 2-Ethyl-1-butanol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Ethyl-1-butanol (CAS 97-95-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Ethyl-1-butanol is a heterocyclic building block identified by CAS number 97-95-0 and the molecular formula C6H14O and a molecular weight of 102.1 g/mol. Physically, the compound has a density of 0.834 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: SLIGHTLY SOL IN WATER; SOL IN ALCOHOL, ETHER. It is also known as 2-Ethyl-1-butanol and 2-Ethylbutan-1-ol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Ethyl-1-butanol
Property Insights of 2-Ethyl-1-butanol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-1-butanol. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Ethyl-1-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-1-butanol 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
What is the CAS number of 2-Ethyl-1-butanol?
The CAS number of 2-Ethyl-1-butanol is 97-95-0.
What is the molecular formula of 2-Ethyl-1-butanol?
The molecular formula of 2-Ethyl-1-butanol is C6H14O.
What is the molecular weight of 2-Ethyl-1-butanol?
The molecular weight of 2-Ethyl-1-butanol is 102.10446 g/mol.
What are the applications of 2-Ethyl-1-butanol?
2-Ethyl-1-butanol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Ethyl-1-butanol (CAS 97-95-0) with...
Where can I buy 2-Ethyl-1-butanol?
You can request a quote for 2-Ethyl-1-butanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethyl-1-butanol?
Yes, CoreyChem provides custom synthesis services for 2-Ethyl-1-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.