2-(1-(2-(Benzoyloxy)-3,5-dimethylphenyl)-2-isobutyl)-4,6-xylenol (CHEM074931)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 13:38:37 UTC | ||||||||
| Update Date | 2026-04-04 13:38:37 UTC | ||||||||
| Accession Number | CHEM074931 | ||||||||
| Identification | |||||||||
| Common Name | 2-(1-(2-(Benzoyloxy)-3,5-dimethylphenyl)-2-isobutyl)-4,6-xylenol | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-(1-(2-(Benzoyloxy)-3,5-dimethylphenyl)-2-isobutyl)-4,6-xylenol belongs to the depsides and depsidones, a class of phenylpropanoids and polyketides within the organic compounds. This compound has the formula C27H30O3 and an average molecular weight of 402.53 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H30O3 | ||||||||
| Average Molecular Mass | 402.534 g/mol | ||||||||
| Monoisotopic Mass | 402.219 g/mol | ||||||||
| CAS Registry Number | 74728-03-3 | ||||||||
| IUPAC Name | [2-[2-(2-hydroxy-3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenyl] benzoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CC(C)=C(OC(=O)C2=CC=CC=C2)C(CC(C)(C)C2=CC(C)=CC(C)=C2O)=C1 | ||||||||
| InChI Identifier | InChI=1S/C27H30O3/c1-17-13-20(4)25(30-26(29)21-10-8-7-9-11-21)22(14-17)16-27(5,6)23-15-18(2)12-19(3)24(23)28/h7-15,28H,16H2,1-6H3 | ||||||||
| InChI Key | AUDGCQQBJPBZHD-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 | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
