Hexyl isobutyrate
TL;DR: Hexyl isobutyrate (CAS 2349-07-7) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-methylpropanoate
Also Known As: Hexyl isobutyrate, Hexyl isobutanoate, n-Hexyl isobutyrate, HEXYL 2-METHYLPROPANOATE, 1-Hexyl isobutyrate
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 119.0 |
| Boiling Point | 198.00 to 199.00 °C. @ 760.00 mm Hg |
| Density | 0.852-0.876 |
| Solubility | very slightly |
| Refractive Index | 1.399-1.421 |
Chemical Identifiers
| CAS Number | 2349-07-7 |
|---|---|
| SMILES | CCCCCCOC(=O)C(C)C |
| InChIKey | CYHBDKTZDLSRMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl isobutyrate (CAS 2349-07-7), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: hexyl 2-methylpropanoate.
Chemical Property Profile of Hexyl isobutyrate
Property Insights of Hexyl isobutyrate
The XLogP value of 3.5 indicates that Hexyl isobutyrate 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 isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl isobutyrate 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 isobutyrate?
The CAS number of Hexyl isobutyrate is 2349-07-7.
What is the molecular formula of Hexyl isobutyrate?
The molecular formula of Hexyl isobutyrate is C10H20O2.
What is the molecular weight of Hexyl isobutyrate?
The molecular weight of Hexyl isobutyrate is 172.15 g/mol.
Where can I buy Hexyl isobutyrate?
You can request a quote for Hexyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.