Methyl Octanoate
TL;DR: Methyl Octanoate (CAS 111-11-5) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl octanoate
Also Known As: Methyl octanoate, Methyl caprylate, Caprylic acid methyl ester, Methyl n-octanoate, Methyl octylate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13068 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 158.13068 Da |
| Heavy Atoms | 11 |
| Complexity | 99.0 |
| Melting Point | -40 °C |
| Boiling Point | 192.9 °C @ 760 mm Hg |
| Density | 0.8775 @ 20 °C/4 °C |
| Refractive Index | Index of refraction: 1.4170 @ 26 °C/D; Sadtler Reference Number: 6340 (IR, prism); 518 (IR, grating) |
| Solubility | Insoluble in water; very soluble in alcohol, ether |
| SMILES | CCCCCCCC(=O)OC |
| InChIKey | JGHZJRVDZXSNKQ-UHFFFAOYSA-N |
Product Description
Applications: Methyl Octanoate is used in surfactant and detergent formulations, as well as complex organic molecule assembly across discovery and process chemistry. 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).
Methyl Octanoate is a surfactant raw material identified by CAS number 111-11-5 and the molecular formula C9H18O2 and a molecular weight of 158.13 g/mol. Physically, the compound has a density of 0.8775 @ 20 °C/4 °C g/cm³, a solubility: Insoluble in water; very soluble in alcohol, ether. Synonyms include Methyl octanoate and Methyl caprylate.
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 Methyl Octanoate
Property Insights of Methyl Octanoate
The XLogP value of 3.6 indicates that Methyl Octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl Octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl Octanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl Octanoate?
The CAS number of Methyl Octanoate is 111-11-5.
What is the molecular formula of Methyl Octanoate?
The molecular formula of Methyl Octanoate is C9H18O2.
What is the molecular weight of Methyl Octanoate?
The molecular weight of Methyl Octanoate is 158.13068 g/mol.
What are the applications of Methyl Octanoate?
Methyl Octanoate is used in surfactant and detergent formulations, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy Methyl Octanoate?
You can request a quote for Methyl Octanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl Octanoate?
Yes, CoreyChem provides custom synthesis services for Methyl Octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.