Heptyl butyrate
TL;DR: Heptyl butyrate (CAS 5870-93-9) 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.
heptyl butanoate
Also Known As: Heptyl butyrate, Heptyl butanoate, Butanoic acid, heptyl ester, Butyric acid, heptyl ester, n-Heptyl butanoate
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 121.0 |
| Melting Point | -57.5 °C |
| Boiling Point | 225.00 to 226.00 °C. @ 760.00 mm Hg |
| Density | 0.8555 (30°/30°) |
| Solubility | slightly |
| Refractive Index | 1.4231 |
Chemical Identifiers
| CAS Number | 5870-93-9 |
|---|---|
| SMILES | CCCCCCCOC(=O)CCC |
| InChIKey | JPQHLIYIQARLQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptyl butyrate (CAS 5870-93-9), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: heptyl butanoate.
Chemical Property Profile of Heptyl butyrate
Property Insights of Heptyl butyrate
The XLogP value of 3.8 indicates that Heptyl 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, Heptyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl 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 Heptyl butyrate?
The CAS number of Heptyl butyrate is 5870-93-9.
What is the molecular formula of Heptyl butyrate?
The molecular formula of Heptyl butyrate is C11H22O2.
What is the molecular weight of Heptyl butyrate?
The molecular weight of Heptyl butyrate is 186.16 g/mol.
Where can I buy Heptyl butyrate?
You can request a quote for Heptyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.