| Pubchem ID | 23124820 |
|---|---|
| CAS | 30304-82-6 |
| IUPAC name | [1-(2,3-dihydroxypropyl)-5-methyl-2-propan-2-ylcyclohexyl] hydrogen carbonate |
| Synonyms | L-Menthol propyleneglycol carbonate |
| Categories | Flavor enhancer |
| SMILES | CC1CCC(C(C1)(CC(CO)O)OC(=O)O)C(C)C |
| InCheykey | InChI=1S/C14H26O5/c1-9(2)12-5-4-10(3)6-14(12,19-13(17)18)7-11(16)8-15/h9-12,15-16H,4-8H2,1-3H3,(H,17,18) |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 274.357 | 3 | 5 | 6 | 87.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Weaker / Non binder | Low | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |