Octanoyl chloride
TL;DR: Octanoyl chloride (CAS 111-64-8) is a chemical compound with molecular formula C8H15ClO and molecular weight 162.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octanoyl chloride
Also Known As: Octanoyl chloride, Capryloyl chloride, n-Octanoyl chloride, CAPRYLYL CHLORIDE, Octanoic chloride
| Molecular Formula | C8H15ClO |
|---|---|
| Molecular Weight | 162.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 162.08115 |
| Heavy Atoms | 10 |
| Complexity | 91.0 |
| Melting Point | -34.5 °C |
| Boiling Point | 196.1 °C at 760 mmHg |
| Density | 0.973 at 7.8 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 80.6 °C |
| Vapor Pressure | 12.7 mmHg at 25.0 °C ; 22.5 mmHg at 42.2 °C |
Chemical Identifiers
| CAS Number | 111-64-8 |
|---|---|
| SMILES | CCCCCCCC(=O)Cl |
| InChIKey | REEZZSHJLXOIHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octanoyl chloride (CAS 111-64-8), with molecular formula C8H15ClO and molecular weight 162.08 g/mol. IUPAC: octanoyl chloride.
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
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 162.08 g/mol.
Where can I buy Octanoyl chloride?
You can request a quote for Octanoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for Octanoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.