| Pubchem ID | 244 |
|---|---|
| CAS | 100-51-6 |
| IUPAC name | phenylmethanol |
| Synonyms | Phenylmethanol|benzenemethanol|phenylcarbinol|Benzoyl alcohol|Hydroxytoluene|Benzenecarbinol|Phenylmethyl alcohol|alpha-Toluenol|benzylalcohol|(Hydroxymethyl)benzene|Phenolcarbinol|Benzal alcohol|alpha-hydroxytoluene|benzylic alcohol|Alcool benzylique|Methanol, phenyl-|Benzylicum|Phenylcarbinolum|hydroxymethylbenzene|Phenyl-Methanol |
| Categories | Flavor enhancer |
| SMILES | C1=CC=C(C=C1)CO |
| InCheykey | InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 |
| Natural | YES |
| E No. | E1519 |
| GHS Siginal | Warning |
| ADI Value | 0-5 mg/kg bw |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 108.14 | 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 | Binder | Medium | 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 |