| Pubchem ID | 22311 |
|---|---|
| CAS | 7705-14-8 |
| IUPAC name | 1-methyl-4-prop-1-en-2-ylcyclohexene |
| Synonyms | Dipentene|Cinene|Cajeputene|DL-Limonene|Kautschin|p-Mentha-1,8-diene|Dipenten|Eulimen|Nesol|1,8-p-Menthadiene|Polylimonene|Limonen|Cajeputen|Cinen|Inactive limonene|Acintene DP dipentene |
| Categories | Flavor enhancer |
| SMILES | CC1=CCC(CC1)C(=C)C |
| InCheykey | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3 |
| 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 |
|---|---|---|---|---|
| 136.238 | 0 | 0 | 1 | 0.0 |
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 | Binder | Very High | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |