Hexyl isovalerate
TL;DR: Hexyl isovalerate (CAS 10032-13-0) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 3-methylbutanoate
Also Known As: Hexyl isovalerate, Hexyl 3-methylbutanoate, Hexyl isopentanoate, Hexyl isovaleriate, n-Hexyl isopentanoate
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 130.0 |
| Boiling Point | 215.00 °C. @ 760.00 mm Hg |
| Density | 0.853-0.857 |
| Solubility | soluble in alcohol, most fixed oils; insoluble in water |
| Refractive Index | 1.417-1.421 |
Chemical Identifiers
| CAS Number | 10032-13-0 |
|---|---|
| SMILES | CCCCCCOC(=O)CC(C)C |
| InChIKey | RSDDTPVXLMVLQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl isovalerate (CAS 10032-13-0), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: hexyl 3-methylbutanoate.
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
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 186.16 g/mol.
Where can I buy Hexyl isovalerate?
You can request a quote for Hexyl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.