Hexyl 2-methylbutyrate
TL;DR: Hexyl 2-methylbutyrate (CAS 10032-15-2) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexyl 2-methylbutanoate
Also Known As: Hexyl 2-methylbutanoate, Hexyl 2-methylbutyrate, Butanoic acid, 2-methyl-, hexyl ester, Bromoacetylcarnitine, hexyl 2-methyl butyrate
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H22O2 |
| Molecular Weight | 186.16199 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 186.16199 Da |
| Heavy Atoms | 13 |
| Complexity | 132.0 |
| Boiling Point | 105.00 °C. @ 30.00 mm Hg |
| Density | 0.854-0.859 |
| Refractive Index | 1.416-1.421 |
| Solubility | very slightly |
| SMILES | CCCCCCOC(=O)C(C)CC |
| InChIKey | YUECNVSODFDKOQ-UHFFFAOYSA-N |
Chemical Property Profile of Hexyl 2-methylbutyrate
Property Insights of Hexyl 2-methylbutyrate
The XLogP value of 3.8 indicates that Hexyl 2-methylbutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl 2-methylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 2-methylbutyrate 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 Hexyl 2-methylbutyrate?
The CAS number of Hexyl 2-methylbutyrate is 10032-15-2.
What is the molecular formula of Hexyl 2-methylbutyrate?
The molecular formula of Hexyl 2-methylbutyrate is C11H22O2.
What is the molecular weight of Hexyl 2-methylbutyrate?
The molecular weight of Hexyl 2-methylbutyrate is 186.16199 g/mol.
Where can I buy Hexyl 2-methylbutyrate?
You can request a quote for Hexyl 2-methylbutyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexyl 2-methylbutyrate?
Yes, CoreyChem provides custom synthesis services for Hexyl 2-methylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.