2,4-Hexadienoic acid, 2-phenylethyl ester (CHEM068987)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 23:08:50 UTC | ||||||||
| Update Date | 2026-08-28 07:15:20 UTC | ||||||||
| Accession Number | CHEM068987 | ||||||||
| Identification | |||||||||
| Common Name | 2,4-Hexadienoic acid, 2-phenylethyl ester | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2,4-Hexadienoic acid, 2-phenylethyl ester belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This lipid and lipid-like molecule has the chemical formula C14H16O2 and an average molecular weight of 216.28 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C14H16O2 | ||||||||
| Average Molecular Mass | 216.280 g/mol | ||||||||
| Monoisotopic Mass | 216.115 g/mol | ||||||||
| CAS Registry Number | 35416-42-3 | ||||||||
| IUPAC Name | 2-phenylethyl hexa-2,4-dienoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC=CC=CC(=O)OCCC1=CC=CC=C1 | ||||||||
| InChI Identifier | InChI=1S/C14H16O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h2-10H,11-12H2,1H3/b3-2+,10-5+ | ||||||||
| InChI Key | PPZYQYDDSJRELL-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | Not Available | ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
