Pubchem ID | 6435833 |
---|---|
CAS | 7493-75-6 |
IUPAC name | prop-2-enyl (2E,4E)-hexa-2,4-dienoate |
Synonyms | Allyl hexadienoate|Allyl 2,4-hexadienoate|Sorbic acid, allyl ester|Allyl hexa-2,4-dienoate |
Categories | Flavor enhancer |
SMILES | CC=CC=CC(=O)OCC=C |
InCheykey | InChI=1S/C9H12O2/c1-3-5-6-7-9(10)11-8-4-2/h3-7H,2,8H2,1H3/b5-3+,7-6+ |
Natural | nan |
E No. | - |
GHS Siginal | Warning |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
152.193 | 0 | 2 | 5 | 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 | Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |