1-Octanol
TL;DR: 1-Octanol (CAS 111-87-5) is a chemical compound with molecular formula C8H18O and molecular weight 130.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octan-1-ol
Also Known As: 1-octanol, octanol, Octan-1-ol, N-octanol, Octyl alcohol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H18O |
| Molecular Weight | 130.13577 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 130.13577 Da |
| Heavy Atoms | 9 |
| Complexity | 43.0 |
| Melting Point | 5 °F (USCG, 1999) |
| Boiling Point | 383 °F at 760 mmHg (USCG, 1999) |
| Density | 0.829 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 178 °F (USCG, 1999) |
| Vapor Pressure | 0.07 [mmHg] |
| Refractive Index | Index of refraction = 1.4205 at 20 °C/D |
| Solubility | In water, 540 mg/L at 25 °C |
| SMILES | CCCCCCCCO |
| InChIKey | KBPLFHHGFOOTCA-UHFFFAOYSA-N |
Product Description
Applications: 1-Octanol 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 1-Octanol (CAS 111-87-5) 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, 1-Octanol (CAS 111-87-5) has the molecular formula C8H18O and a molecular weight of 130.14 g/mol. Reported properties include a density of 0.829 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: In water, 540 mg/L at 25 °C. It is also known as 1-octanol and octanol.
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-Octanol
Property Insights of 1-Octanol
The XLogP value of 3.0 indicates that 1-Octanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Octanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octanol 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 1-Octanol?
The CAS number of 1-Octanol is 111-87-5.
What is the molecular formula of 1-Octanol?
The molecular formula of 1-Octanol is C8H18O.
What is the molecular weight of 1-Octanol?
The molecular weight of 1-Octanol is 130.13577 g/mol.
What are the applications of 1-Octanol?
1-Octanol 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 1-Octanol (CAS 111-87-5) with custom synthesis available from...
Where can I buy 1-Octanol?
You can request a quote for 1-Octanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Octanol?
Yes, CoreyChem provides custom synthesis services for 1-Octanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.