Aluminium 4-(1,1-dimethylethyl)benzoate (CHEM107591)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 19:47:32 UTC | ||||||||
| Update Date | 2026-04-17 17:03:54 UTC | ||||||||
| Accession Number | CHEM107591 | ||||||||
| Identification | |||||||||
| Common Name | Aluminium 4-(1,1-dimethylethyl)benzoate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Aluminium 4-(1,1-dimethylethyl)benzoate belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the chemical formula C33H39AlO6. With an average molecular weight of 558.60 g/mol, Aluminium 4-(1,1-dimethylethyl)benzoate is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C33H39AlO6 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 558.256 g/mol | ||||||||
| CAS Registry Number | 4067-14-5 | ||||||||
| IUPAC Name | aluminum tris(4-tert-butylbenzoate) | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].CC(C)(C)C1=CC=C(C=C1)C(=O)[O-].[Al+3] | ||||||||
| InChI Identifier | InChI=1/3C11H14O2.Al/c3*1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h3*4-7H,1-3H3,(H,12,13);/q;;;+3/p-3 | ||||||||
| InChI Key | ZGNIGAHODXRWIT-UHFFFAOYSA-K | ||||||||
| 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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| 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 | ||||||||
