Heptyl heptanoate
TL;DR: Heptyl heptanoate (CAS 624-09-9) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl heptanoate
Also Known As: Heptyl heptanoate, Heptyl heptoate, Heptanoic acid, heptyl ester, Heptylheptanoate, 1-Heptylheptanoate
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 155.0 |
| Melting Point | -33 °C |
| Boiling Point | 276.00 to 277.00 °C. @ 760.00 mm Hg |
| Density | 0.859-0.865 (20°) |
| Solubility | Insoluble in water, soluble in non-polar solvents |
| Refractive Index | 1.428-1.432 |
Chemical Identifiers
| CAS Number | 624-09-9 |
|---|---|
| SMILES | CCCCCCCOC(=O)CCCCCC |
| InChIKey | QOIIBPAJVWFEPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptyl heptanoate (CAS 624-09-9), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: heptyl heptanoate.
Chemical Property Profile of Heptyl heptanoate
Property Insights of Heptyl heptanoate
The XLogP value of 5.4 indicates that Heptyl heptanoate 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 heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl heptanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heptyl heptanoate?
The CAS number of Heptyl heptanoate is 624-09-9.
What is the molecular formula of Heptyl heptanoate?
The molecular formula of Heptyl heptanoate is C14H28O2.
What is the molecular weight of Heptyl heptanoate?
The molecular weight of Heptyl heptanoate is 228.21 g/mol.
Where can I buy Heptyl heptanoate?
You can request a quote for Heptyl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.