1. Primary Information
| English name: | Methyl levulinate |
| CAS No.: | 624-45-3 |
| Molecular formula: | C6H10O3 |
| Molecular weight: | 130.14 g/mol |
| SMILES: | CC(=O)CCC(=O)OC |
| Structural class: | |
| Other identifiers: |
levulinic acid, methyl ester methyl levulinate methyl-4-oxopentanoate methyl-4-oxovalerate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | GC≥99% | 64 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 95% | 24 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 95% | 59 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | 95% | 176 | 2-8℃ | in stock | - |
| Kehua Intelligence | 500g | 95% | 672 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
methyl 4-oxopentanoate
4.2 InChI
InChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3
4.3 InChIKey
UAGJVSRUFNSIHR-UHFFFAOYSA-N
4.4 Canonical SMILES
CC(=O)CCC(=O)OC
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
