2,4-Hexadien-1-OL
TL;DR: 2,4-Hexadien-1-OL (CAS 111-28-4) is a chemical compound with molecular formula C6H10O and molecular weight 98.073166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexa-2,4-dien-1-ol
Also Known As: 2,4-HEXADIEN-1-OL, Sorbyl alcohol, hexa-2,4-dien-1-ol, Sorbic alcohol, 2,4-Hexadienol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H10O |
| Molecular Weight | 98.073166 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 98.073166 Da |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
| Vapor Pressure | 0.02 [mmHg] |
| Solubility | Insoluble in water; Soluble in fat |
| SMILES | CC=CC=CCO |
| InChIKey | MEIRRNXMZYDVDW-UHFFFAOYSA-N |
Product Description
Applications: 2,4-Hexadien-1-OL is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,4-Hexadien-1-OL (CAS 111-28-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2,4-Hexadien-1-OL is a pharmaceutical intermediate identified by CAS number 111-28-4 and the molecular formula C6H10O and a molecular weight of 98.07 g/mol. Physically, the compound has a solubility: Insoluble in water; Soluble in fat. It is also known as 2,4-HEXADIEN-1-OL and Sorbyl 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 2,4-Hexadien-1-OL
Property Insights of 2,4-Hexadien-1-OL
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Hexadien-1-OL. With a topological polar surface area (TPSA) of 20.2 Ų, 2,4-Hexadien-1-OL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Hexadien-1-OL 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 2,4-Hexadien-1-OL?
The CAS number of 2,4-Hexadien-1-OL is 111-28-4.
What is the molecular formula of 2,4-Hexadien-1-OL?
The molecular formula of 2,4-Hexadien-1-OL is C6H10O.
What is the molecular weight of 2,4-Hexadien-1-OL?
The molecular weight of 2,4-Hexadien-1-OL is 98.073166 g/mol.
What are the applications of 2,4-Hexadien-1-OL?
2,4-Hexadien-1-OL is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,4-Hexadien-1-OL (CAS 111-28-4) with custom synthesis...
Where can I buy 2,4-Hexadien-1-OL?
You can request a quote for 2,4-Hexadien-1-OL directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Hexadien-1-OL?
Yes, CoreyChem provides custom synthesis services for 2,4-Hexadien-1-OL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.