己酸甲酯
TL;DR: 己酸甲酯 (CAS 106-70-7) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己酸甲酯
methyl hexanoate
Also Known As: METHYL HEXANOATE, Methyl caproate, Methyl hexoate, Methyl capronate, Methyl hexylate
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 79.0 |
| Melting Point | -71.1 °C |
| Boiling Point | 150.0 °C at 760 mmHg |
| Density | 0.8846 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 72.8 °C |
| Vapor Pressure | 1 mmHg at 5.0 °C ; 5 mmHg at 30.0 °C; 100 mmHg at 91.4 °C |
| Refractive Index | 1.402-1.409 |
Chemical Identifiers
| CAS Number | 106-70-7 |
|---|---|
| SMILES | CCCCCC(=O)OC |
| InChIKey | NUKZAGXMHTUAFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己酸甲酯 (CAS 106-70-7), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: methyl hexanoate.
Chemical Property Profile of 己酸甲酯
Property Insights of 己酸甲酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 己酸甲酯. With a topological polar surface area (TPSA) of 26.3 Ų, 己酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己酸甲酯 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
Frequently Asked Questions
What is the CAS number of 己酸甲酯?
The CAS number of 己酸甲酯 is 106-70-7.
What is the molecular formula of 己酸甲酯?
The molecular formula of 己酸甲酯 is C7H14O2.
What is the molecular weight of 己酸甲酯?
The molecular weight of 己酸甲酯 is 130.10 g/mol.
Where can I buy 己酸甲酯?
You can request a quote for 己酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 己酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.