Allyl octanoate
TL;DR: Allyl octanoate (CAS 4230-97-1) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl octanoate
Also Known As: Allyl octanoate, Allyl caprylate, 2-Propenyl octanoate, Allyl octylate, prop-2-enyl octanoate
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 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 | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 141.0 |
| Boiling Point | 87.00 to 88.00 °C. @ 5.50 mm Hg |
| Density | 0.872-0.880 |
| Solubility | Insoluble in glycerol & water, slightly soluble in propylene glycol, and soluble in ethanol and fixed oils |
| Refractive Index | 1.432-1.434 |
Chemical Identifiers
| CAS Number | 4230-97-1 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC=C |
| InChIKey | PZGMUSDNQDCNAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl octanoate (CAS 4230-97-1), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: prop-2-enyl octanoate.
Chemical Property Profile of Allyl octanoate
Property Insights of Allyl octanoate
The XLogP value of 3.8 indicates that Allyl 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, Allyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl octanoate 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 Allyl octanoate?
The CAS number of Allyl octanoate is 4230-97-1.
What is the molecular formula of Allyl octanoate?
The molecular formula of Allyl octanoate is C11H20O2.
What is the molecular weight of Allyl octanoate?
The molecular weight of Allyl octanoate is 184.15 g/mol.
Where can I buy Allyl octanoate?
You can request a quote for Allyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for Allyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.