Ethyl undecanoate
TL;DR: Ethyl undecanoate (CAS 627-90-7) is a chemical compound with molecular formula C13H26O2 and molecular weight 214.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl undecanoate
Also Known As: ETHYL UNDECANOATE, Ethyl undecylate, Undecanoic acid, ethyl ester, Ethyl hendecanoate, Undecanoic acid ethyl ester
| Molecular Formula | C13H26O2 |
|---|---|
| Molecular Weight | 214.19 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 214.19328 |
| Heavy Atoms | 15 |
| Complexity | 143.0 |
| Melting Point | -15 °C |
| Boiling Point | 105.00 °C. @ 4.00 mm Hg |
| Density | 0.87 |
| Solubility | Soluble in ethanol and oils, insoluble in water |
| Refractive Index | 1.438 |
Chemical Identifiers
| CAS Number | 627-90-7 |
|---|---|
| SMILES | CCCCCCCCCCC(=O)OCC |
| InChIKey | IAFQYUQIAOWKSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl undecanoate (CAS 627-90-7), with molecular formula C13H26O2 and molecular weight 214.19 g/mol. IUPAC: ethyl undecanoate.
Chemical Property Profile of Ethyl undecanoate
Property Insights of Ethyl undecanoate
The XLogP value of 5.1 indicates that Ethyl undecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl undecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl undecanoate 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 Ethyl undecanoate?
The CAS number of Ethyl undecanoate is 627-90-7.
What is the molecular formula of Ethyl undecanoate?
The molecular formula of Ethyl undecanoate is C13H26O2.
What is the molecular weight of Ethyl undecanoate?
The molecular weight of Ethyl undecanoate is 214.19 g/mol.
Where can I buy Ethyl undecanoate?
You can request a quote for Ethyl undecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl undecanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl undecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.