1. Primary Information
| English name: | Dehydroacetic acid |
| CAS No.: | 520-45-6 |
| Molecular formula: | C8H8O4 |
| Molecular weight: | 168.15 g/mol |
| SMILES: | CC1=CC(=O)C(C(=O)O1)C(=O)C |
| Structural class: | |
| Other identifiers: |
dehydroacetic acid dehydroacetic acid ion (1-) dehydroacetic acid, potassium ion (1-) dehydroacetic acid, sodium ion (1-) dehydroacetic acid, sodium monohydrate ion (1-) |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥99% | 216 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1.2ml | 1000μg/ml in ethanol | 152 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1.2ml | 100μg/ml in ethanol | 80 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | CP，98% | 19 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | CP，98% | 38 | 2-8℃ | in stock | - |
| Kehua Intelligence | 500g | CP，98% | 121 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
3-acetyl-6-methylpyran-2,4-dione
4.2 InChI
InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3
4.3 InChIKey
PGRHXDWITVMQBC-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1=CC(=O)C(C(=O)O1)C(=O)C
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
