Benzoic acid, 4-(1,1-dimethylethyl)-, 1-methylethyl ester (CHEM073909)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 11:24:38 UTC | ||||||||
| Update Date | 2026-08-19 06:59:17 UTC | ||||||||
| Accession Number | CHEM073909 | ||||||||
| Identification | |||||||||
| Common Name | Benzoic acid, 4-(1,1-dimethylethyl)-, 1-methylethyl ester | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C14H20O2 | ||||||||
| Average Molecular Mass | 220.312 g/mol | ||||||||
| Monoisotopic Mass | 220.146 g/mol | ||||||||
| CAS Registry Number | 67952-56-1 | ||||||||
| IUPAC Name | propan-2-yl 4-tert-butylbenzoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)OC(=O)C1=CC=C(C=C1)C(C)(C)C | ||||||||
| InChI Identifier | InChI=1S/C14H20O2/c1-10(2)16-13(15)11-6-8-12(9-7-11)14(3,4)5/h6-10H,1-5H3 | ||||||||
| InChI Key | RTUBKODHZNPRDT-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 | ||||||||
