3-[3-(Prop-2-en-1-yl)hexa-2,5-dien-1-yl]oxolane-2,5-dione (CHEM056161)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-03-26 19:14:05 UTC | ||||||||
| Update Date | 2026-05-20 17:31:46 UTC | ||||||||
| Accession Number | CHEM056161 | ||||||||
| Identification | |||||||||
| Common Name | 3-[3-(Prop-2-en-1-yl)hexa-2,5-dien-1-yl]oxolane-2,5-dione | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-[3-(Prop-2-en-1-yl)hexa-2,5-dien-1-yl]oxolane-2,5-dione is an organic compound with the formula C13H16O3 and an average molecular weight of 220.27 g/mol. 3-[3-(Prop-2-en-1-yl)hexa-2,5-dien-1-yl]oxolane-2,5-dione belongs to the dicarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This substance has been found in or released from one recorded source: drinking water and water supply (drinking water). The recorded exposure route for this compound is oral. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H16O3 | ||||||||
| Average Molecular Mass | 220.268 g/mol | ||||||||
| Monoisotopic Mass | 220.110 g/mol | ||||||||
| CAS Registry Number | 92077-08-2 | ||||||||
| IUPAC Name | 3-[(2E,4E)-hexa-2,4-dien-3-yl]-4-[(E)-prop-1-enyl]oxolane-2,5-dione | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C=CCC(CC=C)=CCC1CC(=O)OC1=O | ||||||||
| InChI Identifier | InChI=1S/C13H16O3/c1-4-7-9(6-3)11-10(8-5-2)12(14)16-13(11)15/h4-8,10-11H,1-3H3/b7-4+,8-5+,9-6+ | ||||||||
| InChI Key | OAYWBOWNCUOGFO-OTWDQPKHSA-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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
