Methyl hexanoate
TL;DR: Methyl hexanoate (CAS 106-70-7) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl hexanoate
Also Known As: METHYL HEXANOATE, Methyl caproate, Methyl hexoate, Methyl capronate, Methyl hexylate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.09938 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 130.09938 Da |
| Heavy Atoms | 9 |
| Complexity | 79.0 |
| Melting Point | -96 °F (NTP, 1992) |
| Boiling Point | 302 °F at 760 mmHg (NTP, 1992) |
| Density | 0.8846 at 68 °F (NTP, 1992) - Less dense than water; will float |
| Flash Point | 163 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 41 °F ; 5 mmHg at 86 °F; 100 mmHg at 196.5 °F (NTP, 1992) |
| Refractive Index | 1.402-1.409 |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| SMILES | CCCCCC(=O)OC |
| InChIKey | NUKZAGXMHTUAFE-UHFFFAOYSA-N |
Chemical Property Profile of Methyl hexanoate
Property Insights of Methyl hexanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl hexanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl hexanoate 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 hexanoate?
The CAS number of Methyl hexanoate is 106-70-7.
What is the molecular formula of Methyl hexanoate?
The molecular formula of Methyl hexanoate is C7H14O2.
What is the molecular weight of Methyl hexanoate?
The molecular weight of Methyl hexanoate is 130.09938 g/mol.
Where can I buy Methyl hexanoate?
You can request a quote for Methyl hexanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl hexanoate?
Yes, CoreyChem provides custom synthesis services for Methyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.