水楊酸乙酯
TL;DR: 水楊酸乙酯 (CAS 118-61-6) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
水楊酸乙酯
ethyl 2-hydroxybenzoate
Also Known As: Ethyl salicylate, ETHYL 2-HYDROXYBENZOATE, Sal ethyl, Mesotol, Salicylic ether
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
| Melting Point | 1.3 °C |
| Boiling Point | 233.00 to 235.00 °C. @ 760.00 mm Hg |
| Density | 1.125-1.131 |
| Solubility | slightly soluble in water, glycerol; soluble in organic solvents, oils |
| Refractive Index | 1.518-1.525 |
Chemical Identifiers
| CAS Number | 118-61-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1O |
| InChIKey | GYCKQBWUSACYIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
水楊酸乙酯 (CAS 118-61-6), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: ethyl 2-hydroxybenzoate.
Chemical Property Profile of 水楊酸乙酯
Property Insights of 水楊酸乙酯
The XLogP value of 3.0 indicates that 水楊酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 水楊酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 水楊酸乙酯 has 1 hydrogen bond donor(s) and 3 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 水楊酸乙酯?
The CAS number of 水楊酸乙酯 is 118-61-6.
What is the molecular formula of 水楊酸乙酯?
The molecular formula of 水楊酸乙酯 is C9H10O3.
What is the molecular weight of 水楊酸乙酯?
The molecular weight of 水楊酸乙酯 is 166.06 g/mol.
Where can I buy 水楊酸乙酯?
You can request a quote for 水楊酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 水楊酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 水楊酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.