2-Isobutyl-5-methylanisole (CHEM077152)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 17:37:50 UTC | ||||||||
| Update Date | 2026-04-04 17:37:50 UTC | ||||||||
| Accession Number | CHEM077152 | ||||||||
| Identification | |||||||||
| Common Name | 2-Isobutyl-5-methylanisole | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-Isobutyl-5-methylanisole belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C12H18O1 and an average molecular weight of 178.28 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C12H18O1 | ||||||||
| Average Molecular Mass | 178.275 g/mol | ||||||||
| Monoisotopic Mass | 178.136 g/mol | ||||||||
| CAS Registry Number | 94291-45-9 | ||||||||
| IUPAC Name | 2-methoxy-4-methyl-1-(2-methylpropyl)benzene | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC1=C(CC(C)C)C=CC(C)=C1 | ||||||||
| InChI Identifier | InChI=1S/C12H18O/c1-9(2)7-11-6-5-10(3)8-12(11)13-4/h5-6,8-9H,7H2,1-4H3 | ||||||||
| InChI Key | ITCLFWJTLBAMIG-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 | ||||||||
