Octanal
TL;DR: Octanal (CAS 124-13-0) is a chemical compound with molecular formula C8H16O and molecular weight 128.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octanal
Also Known As: Octanal, Caprylaldehyde, Caprylic aldehyde, n-Octanal, 1-octanal
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16O |
| Molecular Weight | 128.12012 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 128.12012 Da |
| Heavy Atoms | 9 |
| Complexity | 59.0 |
| Melting Point | -23 °C |
| Boiling Point | 171 °C |
| Density | 0.82 to 0.83 (USCG, 1999) |
| Flash Point | 125 °F (USCG, 1999) |
| Vapor Pressure | 1.18 [mmHg] |
| Refractive Index | MAX ABSORPTION (HEXANE): 295 NM (LOG E= 1.11); INDEX OF REFRACTION: 1.4217 @ 20 °C/D |
| Solubility | In water, 5.6X10+2 mg/L at 25 °C |
| SMILES | CCCCCCCC=O |
| InChIKey | NUJGJRNETVAIRJ-UHFFFAOYSA-N |
Product Description
Applications: Octanal is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Octanal (CAS 124-13-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Octanal (CAS 124-13-0) has the molecular formula C8H16O and a molecular weight of 128.12 g/mol. Reported properties include a density of 0.82 to 0.83 (USCG, 1999) g/cm³, a solubility: In water, 5.6X10+2 mg/L at 25 °C. It is also known as Octanal and Caprylaldehyde.
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 Octanal
Property Insights of Octanal
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanal. With a topological polar surface area (TPSA) of 17.1 Ų, Octanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanal 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 Octanal?
The CAS number of Octanal is 124-13-0.
What is the molecular formula of Octanal?
The molecular formula of Octanal is C8H16O.
What is the molecular weight of Octanal?
The molecular weight of Octanal is 128.12012 g/mol.
What are the applications of Octanal?
Octanal is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Octanal (CAS 124-13-0) with custom synthesis...
Where can I buy Octanal?
You can request a quote for Octanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octanal?
Yes, CoreyChem provides custom synthesis services for Octanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.