Showing Metabocard for perillyl aldehyde (BASm0000356)
| Common Name | Perillyl aldehyde |
|---|---|
| Description | Perillaldehyde, or perilla aldehyde, is a natural organic compound found most abundantly in the perennial herb perilla, but also in a wide variety of other plants and essential oils. It is a monoterpenoid containing an aldehyde functional group. |
| Structure | |
| Molecular Formula | C10H14O |
| Average Mass | 150.22100 |
| Monoisotopic Mass | 150.10447 |
| IUPAC Name | 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde |
| Traditional Name | Perillaldehyde |
| CAS Registry Number | 2111-75-3 |
| SMILES | C=C(C)C1CC=C(C=O)CC1 |
| InChI Identifier | InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3 |
| InChI Key | RUMOYJJNUMEFDD-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:15421 |
| HMDB ID | HMDB0003647 |
| State | Solid |
| Water Solubility | 5.81e-01 g/l |
| logP | 2.97 |
| logS | -2.41 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | -4.33 |
| Hydrogen Acceptor Count | 1 |
| Hydrogen Donor Count | 0 |
| Polar Surface Area | 17.07 Ų |
| Rotatable Bond Count | 2 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 47.27 m³·mol⁻¹ |
| Polarizability | 17.30 |