1,4-Diisopropyl-2-methylbenzene (CHEM057426)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-03-31 19:35:31 UTC | ||||||||
| Update Date | 2026-04-17 17:51:36 UTC | ||||||||
| Accession Number | CHEM057426 | ||||||||
| Identification | |||||||||
| Common Name | 1,4-Diisopropyl-2-methylbenzene | ||||||||
| Class | Small Molecule | ||||||||
| Description | 1,4-Diisopropyl-2-methylbenzene belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the formula C13H20 and an average molecular weight of 176.30 g/mol. It is further classified under the superclass of lipids and lipid-like molecules. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H20 | ||||||||
| Average Molecular Mass | 176.303 g/mol | ||||||||
| Monoisotopic Mass | 176.157 g/mol | ||||||||
| CAS Registry Number | 58502-85-5 | ||||||||
| IUPAC Name | 2-methyl-1,4-di(propan-2-yl)benzene | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)C1=CC(C)=C(C=C1)C(C)C | ||||||||
| InChI Identifier | InChI=1S/C13H20/c1-9(2)12-6-7-13(10(3)4)11(5)8-12/h6-10H,1-5H3 | ||||||||
| InChI Key | BRXCOIOOGGCKPZ-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Lipids and lipid-like molecules | ||||||||
| Class | Prenol lipids | ||||||||
| Sub Class | Monoterpenoids | ||||||||
| Direct Parent | Aromatic monoterpenoids | ||||||||
| Alternative Parents | |||||||||
| Substituents |
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| Molecular Framework | Aromatic homomonocyclic 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 |
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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 | |||||||||
| 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 | 143557 | ||||||||
| 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 | ||||||||
