| Pubchem ID | 7409 |
|---|---|
| CAS | 98-85-1 |
| IUPAC name | 1-phenylethanol |
| Synonyms | 1-Phenylethanol|1-Phenylethan-1-ol|Methylphenyl carbinol|Styralyl alcohol|Styrallyl alcohol|1-Phenethyl alcohol|1-Phenylethyl alcohol|Methylphenylcarbinol|Phenylmethylcarbinol |
| Categories | Flavor enhancer |
| SMILES | CC(C1=CC=CC=C1)O |
| InCheykey | InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 122.167 | 1 | 1 | 1 | 20.2 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Optimal Solubility | Weaker / Non binder | High | 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 | Irritant | Irritant | Degradable |