Pubchem ID | 12779 |
---|---|
CAS | 699-10-5 |
IUPAC name | (methyldisulfanyl)methylbenzene |
Synonyms | Benzyl methyl disulfide|Disulfide, methyl phenylmethyl|Benzyl methyl disulphide |
Categories | Flavor enhancer |
SMILES | CSSCC1=CC=CC=C1 |
InCheykey | InChI=1S/C8H10S2/c1-9-10-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
170.288 | 0 | 2 | 3 | 50.6 |
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 | Very High | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |