1-Octene
TL;DR: 1-Octene (CAS 111-66-0) is a chemical compound with molecular formula C8H16 and molecular weight 112.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
oct-1-ene
Also Known As: 1-OCTENE, Oct-1-ene, Caprylene, Octylene, 1-Octylene
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16 |
| Molecular Weight | 112.1252 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 112.1252 Da |
| Heavy Atoms | 8 |
| Complexity | 46.0 |
| Melting Point | -151 °F (USCG, 1999) |
| Boiling Point | 250.3 °F at 760 mmHg (USCG, 1999) |
| Density | 0.715 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 70 °F (USCG, 1999) |
| Vapor Pressure | 17.4 [mmHg] |
| Refractive Index | Index of refraction: 1.4062 @ 25 °C |
| Solubility | Miscible with ethanol, ether |
| SMILES | CCCCCCC=C |
| InChIKey | KWKAKUADMBZCLK-UHFFFAOYSA-N |
Product Description
Applications: 1-Octene 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 1-Octene (CAS 111-66-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1-Octene is a polymer intermediate identified by CAS number 111-66-0 and the molecular formula C8H16 and a molecular weight of 112.13 g/mol. Physically, the compound has a density of 0.715 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Miscible with ethanol, ether. It is also known as 1-OCTENE and Oct-1-ene.
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-Octene
Property Insights of 1-Octene
The XLogP value of 4.6 indicates that 1-Octene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Octene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octene 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 1-Octene?
The CAS number of 1-Octene is 111-66-0.
What is the molecular formula of 1-Octene?
The molecular formula of 1-Octene is C8H16.
What is the molecular weight of 1-Octene?
The molecular weight of 1-Octene is 112.1252 g/mol.
What are the applications of 1-Octene?
1-Octene 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 1-Octene (CAS 111-66-0) with custom synthesis...
Where can I buy 1-Octene?
You can request a quote for 1-Octene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Octene?
Yes, CoreyChem provides custom synthesis services for 1-Octene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.