Heptyl octanoate
TL;DR: Heptyl octanoate (CAS 4265-97-8) is a chemical compound with molecular formula C15H30O2 and molecular weight 242.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl octanoate
Also Known As: HEPTYL OCTANOATE, Heptyl caprylate, Heptyl octylate, Octanoic acid, heptyl ester, Heptyl-caprylate
| Molecular Formula | C15H30O2 |
|---|---|
| Molecular Weight | 242.22 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 242.22458 |
| Heavy Atoms | 17 |
| Complexity | 166.0 |
| Melting Point | -10 °C |
| Boiling Point | 160.00 °C. @ 14.00 mm Hg |
| Density | 0.8520 (30°) |
| Solubility | insoluble in water |
| Refractive Index | 1.434 |
Chemical Identifiers
| CAS Number | 4265-97-8 |
|---|---|
| SMILES | CCCCCCCC(=O)OCCCCCCC |
| InChIKey | TZXWLJYLYILFGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptyl octanoate (CAS 4265-97-8), with molecular formula C15H30O2 and molecular weight 242.22 g/mol. IUPAC: heptyl octanoate.
Chemical Property Profile of Heptyl octanoate
Property Insights of Heptyl octanoate
The XLogP value of 5.9 indicates that Heptyl octanoate 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 octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl octanoate 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 octanoate?
The CAS number of Heptyl octanoate is 4265-97-8.
What is the molecular formula of Heptyl octanoate?
The molecular formula of Heptyl octanoate is C15H30O2.
What is the molecular weight of Heptyl octanoate?
The molecular weight of Heptyl octanoate is 242.22 g/mol.
Where can I buy Heptyl octanoate?
You can request a quote for Heptyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.