Showing Metabocard for 7-isopropyl-4-methyloxepan-2-one (BASm0002364)
| Common Name | 7-isopropyl-4-methyloxepan-2-one |
|---|---|
| Description | Menthone lactone is a flavouring ingredient with maple syrup-brown sugar odour. It is isolated from Mentha piperita (peppermint) rhizomes. |
| Structure | |
| Molecular Formula | C10H18O2 |
| Average Mass | 170.24870 |
| Monoisotopic Mass | 170.13068 |
| IUPAC Name | 4-methyl-7-(propan-2-yl)oxepan-2-one |
| Traditional Name | Menthone lactone |
| CAS Registry Number | 499-54-7 |
| SMILES | CC1CCC(C(C)C)OC(=O)C1 |
| InChI Identifier | InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3 |
| InChI Key | GGAXPLCKKANQED-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:50243 |
| HMDB ID | HMDB0040330 |
| State | Not Available |
| Water Solubility | 9.60e-01 g/l |
| logP | 2.75 |
| logS | -2.25 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | -7.05 |
| Hydrogen Acceptor Count | 1 |
| Hydrogen Donor Count | 0 |
| Polar Surface Area | 26.3 Ų |
| Rotatable Bond Count | 1 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 47.47 m³·mol⁻¹ |
| Polarizability | 19.86 |