Hexyl isovalerate
TL;DR: Hexyl isovalerate (CAS 10032-13-0) 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 3-methylbutanoate
Also Known As: Hexyl isovalerate, Hexyl 3-methylbutanoate, Hexyl isopentanoate, Hexyl isovaleriate, n-Hexyl isopentanoate
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H22O2 |
| Molecular Weight | 186.16199 g/mol |
| XLogP | 3.7 |
| 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 | 130.0 |
| Boiling Point | 215.00 °C. @ 760.00 mm Hg |
| Density | 0.853-0.857 |
| Refractive Index | 1.417-1.421 |
| Solubility | soluble in alcohol, most fixed oils; insoluble in water |
| SMILES | CCCCCCOC(=O)CC(C)C |
| InChIKey | RSDDTPVXLMVLQE-UHFFFAOYSA-N |
Chemical Property Profile of Hexyl isovalerate
Property Insights of Hexyl isovalerate
The XLogP value of 3.7 indicates that Hexyl isovalerate 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 isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl isovalerate 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 isovalerate?
The CAS number of Hexyl isovalerate is 10032-13-0.
What is the molecular formula of Hexyl isovalerate?
The molecular formula of Hexyl isovalerate is C11H22O2.
What is the molecular weight of Hexyl isovalerate?
The molecular weight of Hexyl isovalerate is 186.16199 g/mol.
Where can I buy Hexyl isovalerate?
You can request a quote for Hexyl isovalerate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexyl isovalerate?
Yes, CoreyChem provides custom synthesis services for Hexyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.