Pubchem ID | 5364729 |
---|---|
CAS | 7493-71-2 |
IUPAC name | prop-2-enyl (E)-2-methylbut-2-enoate |
Synonyms | Tiglic acid, allyl ester|Allyl 2-methylcrotonate|2-Butenoic acid, 2-methyl-, 2-propenyl ester, (E)-|Allyl trans-2-methyl-2-butenoate |
Categories | Flavor enhancer |
SMILES | CC=C(C)C(=O)OCC=C |
InCheykey | InChI=1S/C8H12O2/c1-4-6-10-8(9)7(3)5-2/h4-5H,1,6H2,2-3H3/b7-5+ |
Natural | YES |
E No. | - |
GHS Siginal | Warning |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
140.182 | 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 | Weaker / Non binder | High | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |