硬脂酸乙酯
TL;DR: 硬脂酸乙酯 (CAS 111-61-5) is a chemical compound with molecular formula C20H40O2 and molecular weight 312.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硬脂酸乙酯
ethyl octadecanoate
Also Known As: ETHYL STEARATE, Ethyl octadecanoate, Stearic acid ethyl ester, Ethyl n-octadecanoate, Octadecanoic acid, ethyl ester
| Molecular Formula | C20H40O2 |
|---|---|
| Molecular Weight | 312.30 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 312.30283 |
| Heavy Atoms | 22 |
| Complexity | 226.0 |
| Melting Point | 33.4 °C |
| Boiling Point | 213.00 to 215.00 °C. @ 15.00 mm Hg |
| Density | 0.880-0.900 |
| Solubility | Soluble in ethanol and oils, insoluble in water |
| Refractive Index | 1.420-1.440 |
Chemical Identifiers
| CAS Number | 111-61-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC |
| InChIKey | MVLVMROFTAUDAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硬脂酸乙酯 (CAS 111-61-5), with molecular formula C20H40O2 and molecular weight 312.30 g/mol. IUPAC: ethyl octadecanoate.
Chemical Property Profile of 硬脂酸乙酯
Property Insights of 硬脂酸乙酯
The XLogP value of 8.9 indicates that 硬脂酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 硬脂酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硬脂酸乙酯 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 硬脂酸乙酯?
The CAS number of 硬脂酸乙酯 is 111-61-5.
What is the molecular formula of 硬脂酸乙酯?
The molecular formula of 硬脂酸乙酯 is C20H40O2.
What is the molecular weight of 硬脂酸乙酯?
The molecular weight of 硬脂酸乙酯 is 312.30 g/mol.
Where can I buy 硬脂酸乙酯?
You can request a quote for 硬脂酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硬脂酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 硬脂酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.