| Pubchem ID | 5281162 |
|---|---|
| CAS | 3025-30-7 |
| IUPAC name | ethyl (2E,4Z)-deca-2,4-dienoate |
| Synonyms | Ethyl (2E,4Z)-deca-2,4-dienoate|Ethyl (2E,4Z)-decadienoate|Ethyl trans-2,cis-4-decadienoate|Ethyl (2E,4Z)-2,4-decadienoate|Ethyl 2Z,4E-decadienoic acid|Pear ester|2,4-Decadienoic acid, ethyl ester, (2E,4Z)-|Ethyl 2-trans-4-cis-decadienoateEthyl 2,4-decadienoate|E,Z-Ethyl 2,4-decadienoate|FEMA No. 3148 |
| Categories | Flavor enhancer |
| SMILES | CCCCCC=CC=CC(=O)OCC |
| InCheykey | InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10+ |
| Natural | YES |
| E No. | - |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 196.29 | 0 | 2 | 8 | 26.3 |
ADME Predicted Parameters
| 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 |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |