1. Primary Information
| English name: | Methyl Salicylate |
| CAS No.: | 119-36-8 |
| Molecular formula: | C8H8O3 |
| Molecular weight: | 152.15 g/mol |
| SMILES: | COC(=O)C1=CC=CC=C1O |
| Structural class: | |
| Other identifiers: |
Hewedolor Linsal methyl salicylate methyl salicylate sodium salt methylsalicylate |
2. Suppliers & Pricing
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
methyl 2-hydroxybenzoate
4.2 InChI
InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
4.3 InChIKey
OSWPMRLSEDHDFF-UHFFFAOYSA-N
4.4 Canonical SMILES
COC(=O)C1=CC=CC=C1O
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
