Hexyl butyrate
TL;DR: Hexyl butyrate (CAS 2639-63-6) 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 butanoate
Also Known As: HEXYL BUTYRATE, Hexyl butanoate, n-Hexyl butanoate, Butanoic acid, hexyl ester, n-Hexyl butyrate
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 110.0 |
| Melting Point | -78 °C |
| Boiling Point | 204.00 to 206.00 °C. @ 760.00 mm Hg |
| Density | 0.858-0.869 |
| Refractive Index | 1.413-1.419 |
Chemical Identifiers
| CAS Number | 2639-63-6 |
|---|---|
| SMILES | CCCCCCOC(=O)CCC |
| InChIKey | XAPCMTMQBXLDBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl butyrate (CAS 2639-63-6), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: hexyl butanoate.
Chemical Property Profile of Hexyl butyrate
Property Insights of Hexyl butyrate
The XLogP value of 3.3 indicates that Hexyl butyrate 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 butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl butyrate 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 butyrate?
The CAS number of Hexyl butyrate is 2639-63-6.
What is the molecular formula of Hexyl butyrate?
The molecular formula of Hexyl butyrate is C10H20O2.
What is the molecular weight of Hexyl butyrate?
The molecular weight of Hexyl butyrate is 172.15 g/mol.
Where can I buy Hexyl butyrate?
You can request a quote for Hexyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.