Octane
TL;DR: Octane (CAS 111-65-9) is a chemical compound with molecular formula C8H18 and molecular weight 114.140854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octane
Also Known As: octane, n-octane, Oktan, Oktanen, Ottani
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H18 |
| Molecular Weight | 114.140854 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 114.140854 Da |
| Heavy Atoms | 8 |
| Complexity | 25.0 |
| Melting Point | -70.2 °F (USCG, 1999) |
| Boiling Point | 258.1 °F at 760 mmHg (USCG, 1999) |
| Density | 0.703 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 56 °F (USCG, 1999) |
| Vapor Pressure | 10 mmHg (NIOSH, 2024) |
| Refractive Index | Index of refraction: 1.3944 at 25 °C/D |
| Solubility | 7e-05 % at 77 °F (NIOSH, 2024) |
| SMILES | CCCCCCCC |
| InChIKey | TVMXDCGIABBOFY-UHFFFAOYSA-N |
Product Description
Applications: Octane is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Octane (CAS 111-65-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Octane (CAS 111-65-9) is a polymer intermediate with the molecular formula C8H18 and a molecular weight of 114.14 g/mol. Key physical properties include a density of 0.703 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: 7e-05 % at 77 °F (NIOSH, 2024). It is also known as octane and n-octane.
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 Octane
Property Insights of Octane
The XLogP value of 3.9 indicates that Octane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Octane?
The CAS number of Octane is 111-65-9.
What is the molecular formula of Octane?
The molecular formula of Octane is C8H18.
What is the molecular weight of Octane?
The molecular weight of Octane is 114.140854 g/mol.
What are the applications of Octane?
Octane is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Octane (CAS 111-65-9) with custom synthesis...
Where can I buy Octane?
You can request a quote for Octane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octane?
Yes, CoreyChem provides custom synthesis services for Octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.