2-(1,3-benzodioxol-5-yl)-2-ethylbutanoic acid (CHEM173111)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-19 00:45:27 UTC | ||||||||
| Update Date | 2026-08-19 00:45:27 UTC | ||||||||
| Accession Number | CHEM173111 | ||||||||
| Identification | |||||||||
| Common Name | 2-(1,3-benzodioxol-5-yl)-2-ethylbutanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-(1,3-benzodioxol-5-yl)-2-ethylbutanoic acid is a chemical compound with the formula C13H16O4. It has an average molecular weight of 236.26 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H16O4 | ||||||||
| Average Molecular Mass | 236.260 g/mol | ||||||||
| Monoisotopic Mass | 236.105 g/mol | ||||||||
| CAS Registry Number | 1179291-42-9 | ||||||||
| IUPAC Name | 2-(1,3-benzodioxol-5-yl)-2-ethylbutanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C13H16O4/c1-3-13(4-2,12(14)15)9-5-6-10-11(7-9)17-8-16-10/h5-7H,3-4,8H2,1-2H3,(H,14,15) | ||||||||
| InChI Key | ARUIOJWSDMKCSM-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 | ||||||||
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| 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 | ||||||||
