Octanoyl chloride
TL;DR: Octanoyl chloride (CAS 111-64-8) is a chemical compound with molecular formula C8H15ClO and molecular weight 162.08115 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octanoyl chloride
Also Known As: Octanoyl chloride, Capryloyl chloride, n-Octanoyl chloride, CAPRYLYL CHLORIDE, Octanoic chloride
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H15ClO |
| Molecular Weight | 162.08115 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 162.08115 Da |
| Heavy Atoms | 10 |
| Complexity | 91.0 |
| Melting Point | -30.1 °F (NTP, 1992) |
| Boiling Point | 385 °F at 760 mmHg (NTP, 1992) |
| Density | 0.973 at 46 °F (NTP, 1992) - Less dense than water; will float |
| Flash Point | 177 °F (NTP, 1992) |
| Vapor Pressure | 12.7 mmHg at 77 °F ; 22.5 mmHg at 108 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | CCCCCCCC(=O)Cl |
| InChIKey | REEZZSHJLXOIHL-UHFFFAOYSA-N |
Product Description
Applications: Octanoyl chloride 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, Octanoyl chloride (CAS 111-64-8) has the molecular formula C8H15ClO and a molecular weight of 162.08 g/mol. Reported properties include a density of 0.973 at 46 °F (NTP, 1992) - Less dense than water; will float g/cm³, a solubility: less than 1 mg/mL at 70 °F (NTP, 1992). Synonyms include Octanoyl chloride and Capryloyl chloride.
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 Octanoyl chloride
Property Insights of Octanoyl chloride
The XLogP value of 4.0 indicates that Octanoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Octanoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanoyl chloride 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 Octanoyl chloride?
The CAS number of Octanoyl chloride is 111-64-8.
What is the molecular formula of Octanoyl chloride?
The molecular formula of Octanoyl chloride is C8H15ClO.
What is the molecular weight of Octanoyl chloride?
The molecular weight of Octanoyl chloride is 162.08115 g/mol.
What are the applications of Octanoyl chloride?
Octanoyl chloride 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. Available from CoreyChem as both catalog item and...
Where can I buy Octanoyl chloride?
You can request a quote for Octanoyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octanoyl chloride?
Yes, CoreyChem provides custom synthesis services for Octanoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.