3-(1,3-Benzodioxol-5-yl)-1-methylpropyl acetate (CHEM094693)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 06:22:50 UTC | ||||||||
| Update Date | 2026-08-19 00:46:15 UTC | ||||||||
| Accession Number | CHEM094693 | ||||||||
| Identification | |||||||||
| Common Name | 3-(1,3-Benzodioxol-5-yl)-1-methylpropyl acetate | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-(1,3-Benzodioxol-5-yl)-1-methylpropyl acetate belongs to the benzodioxoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C13H16O4 and an average molecular weight of 236.27 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H16O4 | ||||||||
| Average Molecular Mass | 236.267 g/mol | ||||||||
| Monoisotopic Mass | 236.105 g/mol | ||||||||
| CAS Registry Number | 68844-96-2 | ||||||||
| IUPAC Name | 4-(1,3-benzodioxol-5-yl)butan-2-yl acetate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(CCC1=CC=C2OCOC2=C1)OC(C)=O | ||||||||
| InChI Identifier | InChI=1/C13H16O4/c1-9(17-10(2)14)3-4-11-5-6-12-13(7-11)16-8-15-12/h5-7,9H,3-4,8H2,1-2H3 | ||||||||
| InChI Key | WPDTWMWIRBCOSB-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 |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| 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 | ||||||||
