1-Hexanol
TL;DR: 1-Hexanol (CAS 111-27-3) 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.
hexan-1-ol
Also Known As: 1-Hexanol, Hexyl alcohol, Hexan-1-ol, HEXANOL, n-Hexanol
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 | 2.0 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 102.10446 Da |
| Heavy Atoms | 7 |
| Complexity | 27.0 |
| Melting Point | -48.3 °F (USCG, 1999) |
| Boiling Point | 314.8 °F at 760 mmHg (USCG, 1999) |
| Density | 0.85 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 145 °F (USCG, 1999) |
| Vapor Pressure | 38.78 mmHg (USCG, 1999) |
| Refractive Index | Index of refraction = 1.4162 at 25 °C/4 °C |
| Solubility | Sol in ethanol, acetone, chloroform; miscible with ether, benzene; slightly soluble in carbon tetrachloride |
| SMILES | CCCCCCO |
| InChIKey | ZSIAUFGUXNUGDI-UHFFFAOYSA-N |
Product Description
Applications: 1-Hexanol 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 1-Hexanol (CAS 111-27-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1-Hexanol (CAS 111-27-3) is a heterocyclic building block with the molecular formula C6H14O and a molecular weight of 102.1 g/mol. Key physical properties include a density of 0.85 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Sol in ethanol, acetone, chloroform; miscible with ether, benzene; slightly soluble in carbon tetrachloride. It is also known as 1-Hexanol and Hexyl alcohol.
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 1-Hexanol
Property Insights of 1-Hexanol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hexanol. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Hexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexanol 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 1-Hexanol?
The CAS number of 1-Hexanol is 111-27-3.
What is the molecular formula of 1-Hexanol?
The molecular formula of 1-Hexanol is C6H14O.
What is the molecular weight of 1-Hexanol?
The molecular weight of 1-Hexanol is 102.10446 g/mol.
What are the applications of 1-Hexanol?
1-Hexanol 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 1-Hexanol (CAS 111-27-3) with custom...
Where can I buy 1-Hexanol?
You can request a quote for 1-Hexanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Hexanol?
Yes, CoreyChem provides custom synthesis services for 1-Hexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.