水杨酸甲酯
TL;DR: 水杨酸甲酯 (CAS 119-36-8) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
水杨酸甲酯
methyl 2-hydroxybenzoate
Also Known As: methyl salicylate, Methyl 2-hydroxybenzoate, Wintergreen oil, Gaultheria oil, Analgit
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
| Melting Point | -8.6 °C |
| Boiling Point | 222.2 °C at 760 mmHg |
| Density | 1.174 |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Flash Point | 96.1 °C |
| Vapor Pressure | 0.0975 mmHg at 20.0 °C ; 1 mmHg at 53.9 °C |
| Refractive Index | 1.5369 AT 20 °C; MAX ABSORPTION: 306 NM (LOG E= 3.64); SADTLER REFERENCE NUMBER: 2238 (IR, PRISM); MAX ABSORPTION (ALC): 238 NM (LOG E= 3.97) |
| GHS Signal | Danger |
| H-Statements | H302, H317, H318, H361d, H412 |
Chemical Identifiers
| CAS Number | 119-36-8 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1O |
| InChIKey | OSWPMRLSEDHDFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
水杨酸甲酯 (CAS 119-36-8), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: methyl 2-hydroxybenzoate.
Chemical Property Profile of 水杨酸甲酯
Property Insights of 水杨酸甲酯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 水杨酸甲酯. With a topological polar surface area (TPSA) of 46.5 Ų, 水杨酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 水杨酸甲酯 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 水杨酸甲酯?
The CAS number of 水杨酸甲酯 is 119-36-8.
What is the molecular formula of 水杨酸甲酯?
The molecular formula of 水杨酸甲酯 is C8H8O3.
What is the molecular weight of 水杨酸甲酯?
The molecular weight of 水杨酸甲酯 is 152.05 g/mol.
Where can I buy 水杨酸甲酯?
You can request a quote for 水杨酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 水杨酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 水杨酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.