Pubchem ID | 61446 |
---|---|
CAS | 10031-71-7 |
IUPAC name | (2-methyl-4-phenylbutan-2-yl) 2-methylpropanoate |
Synonyms | 1,1-Dimethyl-3-phenylpropyl isobutyrate|Dmpec isobutyrate|Propanoic acid, 2-methyl-, 1,1-dimethyl-3-phenylpropyl ester|Dmpec 2-methylpropanoate |
Categories | Flavor enhancer |
SMILES | CC(C)C(=O)OC(C)(C)CCC1=CC=CC=C1 |
InCheykey | InChI=1S/C15H22O2/c1-12(2)14(16)17-15(3,4)11-10-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
234.339 | 0 | 2 | 6 | 26.3 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Low Solubility | Binder | High | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |