Showing Metabocard for (2E)-geranyl acetate (BASm0000136)
| Common Name | (2e)-geranyl acetate |
|---|---|
| Description | Neryl acetate is found in cardamom. Neryl acetate is found in citrus, kumquat and pummelo peel oils, ginger, cardamon, clary sage, myrtle leaf and myrtle berries. Neryl acetate is a flavouring agent |
| Structure | |
| Molecular Formula | C12H20O2 |
| Average Mass | 196.29000 |
| Monoisotopic Mass | 196.14633 |
| IUPAC Name | (2Z)-3,7-dimethylocta-2,6-dien-1-yl acetate |
| Traditional Name | Neryl acetate |
| CAS Registry Number | 105-87-3 |
| SMILES | CC(=O)OC/C=C(\C)CCC=C(C)C |
| InChI Identifier | InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+ |
| InChI Key | HIGQPQRQIQDZMP-DHZHZOJOSA-N |
| CHEBI ID | CHEBI:5331 |
| HMDB ID | HMDB0035157 |
| State | Not Available |
| Water Solubility | 1.90e-01 g/l |
| logP | 4.11 |
| logS | -3.01 |
| 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 | 6 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 60.33 m³·mol⁻¹ |
| Polarizability | 23.66 |