Hexanal
TL;DR: Hexanal (CAS 66-25-1) is a chemical compound with molecular formula C6H12O and molecular weight 100.08881 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexanal
Also Known As: HEXANAL, Caproaldehyde, Hexaldehyde, Caproic aldehyde, Capronaldehyde
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12O |
| Molecular Weight | 100.08881 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 100.08881 Da |
| Heavy Atoms | 7 |
| Complexity | 41.0 |
| Melting Point | -58.2 °C |
| Boiling Point | 262 °F at 760 mmHg (USCG, 1999) |
| Density | 0.83 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 90 °F (USCG, 1999) |
| Vapor Pressure | 11.3 [mmHg] |
| Refractive Index | Index of refraction: 1.4039 at 20 °C/D |
| Solubility | In water, 5.64X10+3 mg/L at 30 °C |
| SMILES | CCCCCC=O |
| InChIKey | JARKCYVAAOWBJS-UHFFFAOYSA-N |
Product Description
Applications: Hexanal 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 Hexanal (CAS 66-25-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Hexanal (CAS 66-25-1) has the molecular formula C6H12O and a molecular weight of 100.09 g/mol. Reported properties include a density of 0.83 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: In water, 5.64X10+3 mg/L at 30 °C. It is also known as HEXANAL and Caproaldehyde.
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 Hexanal
Property Insights of Hexanal
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanal. With a topological polar surface area (TPSA) of 17.1 Ų, Hexanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanal has 0 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 Hexanal?
The CAS number of Hexanal is 66-25-1.
What is the molecular formula of Hexanal?
The molecular formula of Hexanal is C6H12O.
What is the molecular weight of Hexanal?
The molecular weight of Hexanal is 100.08881 g/mol.
What are the applications of Hexanal?
Hexanal 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 Hexanal (CAS 66-25-1) with custom synthesis...
Where can I buy Hexanal?
You can request a quote for Hexanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexanal?
Yes, CoreyChem provides custom synthesis services for Hexanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.