| Pubchem ID | 7393 |
|---|---|
| CAS | 98-54-4 |
| IUPAC name | 4-tert-butylphenol |
| Synonyms | 4-tert-Butylphenol|4-(tert-Butyl)phenol|Butylphen|p-tert-Butylphenol|PTBP|4-(1,1-Dimethylethyl)phenol|Phenol, 4-(1,1-dimethylethyl)-|4-t-Butylphenol|p-t-Butyl phenol |
| Categories | Flavor enhancer |
| SMILES | CC(C)(C)C1=CC=C(C=C1)O |
| InCheykey | InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Danger |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 150.221 | 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 | Slightly Soluble | 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 | Non-Degradable |