| Pubchem ID | 74915 |
|---|---|
| CAS | 2051-04-9 |
| IUPAC name | 3-methyl-1-(3-methylbutyldisulfanyl)butane |
| Synonyms | Diisoamyl disulfide|1,2-Diisopentyldisulfane|Isoamyl disulfide|Bis(3-methylbutyl) disulfide|Isopentyl disulfide|Diisopentyl disulphide |
| Categories | Flavor enhancer |
| SMILES | CC(C)CCSSCCC(C)C |
| InCheykey | InChI=1S/C10H22S2/c1-9(2)5-7-11-12-8-6-10(3)4/h9-10H,5-8H2,1-4H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 206.406 | 0 | 2 | 7 | 50.6 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Low Solubility | Weaker / Non binder | Very High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |