Showing Metabocard for (E)-cinnamyl acetate (BASm0011092)
| Common Name | (e)-cinnamyl acetate |
|---|---|
| Description | Cinnamyl acetate is found in ceylan cinnamon. Cinnamyl acetate is a constituent of Cassia and basil oils. Also present in guava fruit and peel, starfruit, melon and strawberry jam. Cinnamyl acetate is a flavouring ingredient |
| Structure | |
| Molecular Formula | C11H12O2 |
| Average Mass | 176.21180 |
| Monoisotopic Mass | 176.08373 |
| IUPAC Name | (2Z)-3-phenylprop-2-en-1-yl acetate |
| Traditional Name | (2z)-3-phenylprop-2-en-1-yl acetate |
| CAS Registry Number | 21040-45-9 |
| SMILES | CC(=O)OC/C=C/c1ccccc1 |
| InChI Identifier | InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5- |
| InChI Key | WJSDHUCWMSHDCR-YVMONPNESA-N |
| CHEBI ID | CHEBI:156069 |
| HMDB ID | HMDB0029699 |
| State | Not Available |
| Water Solubility | 1.40e-01 g/l |
| logP | 2.92 |
| logS | -3.10 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | -7.00 |
| Hydrogen Acceptor Count | 1 |
| Hydrogen Donor Count | 0 |
| Polar Surface Area | 26.3 Ų |
| Rotatable Bond Count | 4 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 52.34 m³·mol⁻¹ |
| Polarizability | 19.41 |