Pubchem ID | 78126 |
---|---|
CAS | 4410-99-5 |
IUPAC name | 2-phenylethanethiol |
Synonyms | 2-Phenylethanethiol|Benzeneethanethiol|2-Phenylethyl mercaptan|Phenylethyl mercaptan|2-phenylethylthiol|2-phenylethylmercaptan |
Categories | Flavor enhancer |
SMILES | C1=CC=C(C=C1)CCS |
InCheykey | InChI=1S/C8H10S/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
138.228 | 1 | 1 | 2 | 1.0 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Moderate Absorption | Slightly Soluble | Weaker / Non binder | 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 |