1. Primary Information
| English name: | Benzyl acetate |
| CAS No.: | 140-11-4 |
| Molecular formula: | C9H10O2 |
| Molecular weight: | 150.17 g/mol |
| SMILES: | CC(=O)OCC1=CC=CC=C1 |
| Structural class: | |
| Other identifiers: |
(14C)benzyl acetate acetic acid benzyl ester benzyl (1-14C)acetate benzyl (2-14C)acetate benzyl acetate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1ml | GC≥98% | 128 | 2-8℃ | in stock | - |
| Kehua Intelligence | 500ml | CP，98% | 120 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
benzyl acetate
4.2 InChI
InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
4.3 InChIKey
QUKGYYKBILRGFE-UHFFFAOYSA-N
4.4 Canonical SMILES
CC(=O)OCC1=CC=CC=C1
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
