Propanedioic acid, bis(1,1-dimethylethyl) ester (CHEM071420)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 04:21:24 UTC | ||||||||
| Update Date | 2026-08-18 13:12:37 UTC | ||||||||
| Accession Number | CHEM071420 | ||||||||
| Identification | |||||||||
| Common Name | Propanedioic acid, bis(1,1-dimethylethyl) ester | ||||||||
| Class | Small Molecule | ||||||||
| Description | Propanedioic acid, bis(1,1-dimethylethyl) ester belongs to the dicarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C11H20O4 and an average molecular weight of 216.28 g/mol. It is further classified within the superclass of organic acids and derivatives. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms |
| ||||||||
| Chemical Formula | C11H20O4 | ||||||||
| Average Molecular Mass | 216.277 g/mol | ||||||||
| Monoisotopic Mass | 216.136 g/mol | ||||||||
| CAS Registry Number | 541-16-2 | ||||||||
| IUPAC Name | ditert-butyl propanedioate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)(C)OC(=O)CC(=O)OC(C)(C)C | ||||||||
| InChI Identifier | InChI=1S/C11H20O4/c1-10(2,3)14-8(12)7-9(13)15-11(4,5)6/h7H2,1-6H3 | ||||||||
| InChI Key | CLPHAYNBNTVRDI-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Organic acids and derivatives | ||||||||
| Class | Carboxylic acids and derivatives | ||||||||
| Sub Class | Dicarboxylic acids and derivatives | ||||||||
| Direct Parent | Dicarboxylic acids and derivatives | ||||||||
| Alternative Parents | |||||||||
| Substituents |
| ||||||||
| Molecular Framework | Aliphatic acyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| 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 | 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 | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | Not Available | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
