Pubchem ID | 7711 |
---|---|
CAS | 104-62-1 |
IUPAC name | 2-phenylethyl formate |
Synonyms | Phenylethyl formate|Formic acid, 2-phenylethyl ester|Benzylcarbinyl formate|Phenethyl alcohol, formate|2-Phenethyl formate|Benzeneethanol, formate|2-Phenethyl methanoate|Benzylcarbinyl methanoate |
Categories | Flavor enhancer |
SMILES | C1=CC=C(C=C1)CCOC=O |
InCheykey | InChI=1S/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,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 |
---|---|---|---|---|
150.177 | 0 | 2 | 4 | 26.3 |
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 |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |