| Pubchem ID | 325 |
|---|---|
| CAS | 536-60-7 |
| IUPAC name | (4-propan-2-ylphenyl)methanol |
| Synonyms | 4-isopropylbenzyl alcohol|Cumic alcohol|Cuminol|cuminyl alcohol|(4-Isopropylphenyl)methanol|cuminic alcohol|Cumyl alcohol|p-Cymen-7-ol|p-Isopropylbenzyl alcohol|p-cumic alcohol|Benzenemethanol, 4-(1-methylethyl)-|4-(1-Methylethyl)benzenemethanol|Benzyl alcohol, p-isopropyl- |
| Categories | Flavor enhancer |
| SMILES | CC(C)C1=CC=C(C=C1)CO |
| InCheykey | InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3 |
| 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 |
|---|---|---|---|---|
| 150.221 | 1 | 1 | 2 | 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 | Binder | High | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |