Pubchem ID | 5367745 |
---|---|
CAS | 1733-25-1 |
IUPAC name | propan-2-yl (E)-2-methylbut-2-enoate |
Synonyms | Isopropyl 2-methylcrotonate|Tiglic acid isopropyl ester|Isopropyl 2-methyl-2-butenoate |
Categories | Flavor enhancer |
SMILES | CC=C(C)C(=O)OC(C)C |
InCheykey | InChI=1S/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3/b7-5+ |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
142.198 | 0 | 2 | 3 | 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 | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |